#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sb3 n THR 10 N 0.00 0.66 -2.21 2.61 -2.24 -1.26 -4.87 114.28 106.96 1sb3 n THR 10 Ca 0.00 -0.32 -0.41 0.00 -2.27 0.00 0.00 64.05 61.05 1sb3 n THR 10 Cb 0.00 -0.85 -0.03 0.00 -2.10 0.00 0.00 70.33 67.35 1sb3 n THR 10 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1sb3 s VAL 11 N -2.23 3.22 0.00 2.28 1.01 -1.26 -2.50 120.40 120.92 1sb3 s VAL 11 Ca -0.11 0.98 0.00 0.00 0.00 0.00 0.00 61.98 62.85 1sb3 s VAL 11 Cb 0.04 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1sb3 s VAL 11 CO 0.32 0.14 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1sb3 n GLY 12 N 2.50 1.00 3.78 4.51 0.00 0.79 -5.04 105.19 112.73 1sb3 n GLY 12 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1sb3 n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sb3 s VAL 13 N -3.28 5.03 -0.15 1.61 1.01 -1.04 -4.64 120.40 118.94 1sb3 s VAL 13 Ca 0.00 0.96 -0.29 0.00 0.00 0.00 0.00 61.98 62.65 1sb3 s VAL 13 Cb 0.00 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1sb3 s VAL 13 CO 0.00 0.47 1.89 -0.13 0.00 0.00 0.00 175.10 177.33 1sb3 s ARG 14 N -0.39 3.68 -0.12 2.72 0.52 -1.26 -4.32 118.95 119.78 1sb3 s ARG 14 Ca 0.26 2.02 -0.00 0.00 -0.52 0.00 0.00 55.73 57.48 1sb3 s ARG 14 Cb -0.17 -4.17 0.03 0.00 0.52 0.00 0.00 34.95 31.16 1sb3 s ARG 14 CO 0.13 -1.46 -0.07 0.99 0.02 0.00 0.00 175.30 174.91 1sb3 s THR 15 N 5.96 1.04 0.50 0.02 2.01 -1.26 -4.96 115.64 118.95 1sb3 s THR 15 Ca 0.85 -0.32 -0.23 0.00 0.31 0.00 0.00 61.69 62.30 1sb3 s THR 15 Cb -0.32 -1.07 -0.07 0.00 0.01 0.00 0.00 72.50 71.06 1sb3 s THR 15 CO 0.34 0.35 1.37 -2.65 -0.69 0.00 0.00 174.62 173.35 1sb3 n PRO 16 N 4.94 1.91 -1.91 4.92 -0.02 -1.26 -4.74 135.00 138.84 1sb3 n PRO 16 Ca -0.12 0.69 -0.41 0.00 -2.02 0.00 0.00 63.50 61.64 1sb3 n PRO 16 Cb 0.50 -2.57 -0.01 0.00 -0.02 0.00 0.00 33.50 31.40 1sb3 n PRO 16 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1sb3 s LEU 17 N -2.99 4.34 0.36 2.45 1.43 -1.26 -4.85 118.68 118.17 1sb3 s LEU 17 Ca 0.67 2.92 0.25 0.00 -1.03 0.00 0.00 54.13 56.94 1sb3 s LEU 17 Cb -0.44 -3.68 1.33 0.00 0.03 0.00 0.00 46.19 43.43 1sb3 s LEU 17 CO 0.53 -0.78 1.76 -0.37 0.23 0.00 0.00 176.35 177.71 1sb3 h VAL 18 N 2.94 0.00 -0.33 -1.59 -1.51 -1.92 -0.59 116.25 113.25 1sb3 h VAL 18 Ca -0.50 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 1sb3 h VAL 18 Cb 1.24 0.57 0.00 0.00 -2.13 0.00 0.00 31.29 30.97 1sb3 h VAL 18 CO 0.64 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.08 1sb3 n ASP 19 N -2.37 3.49 -0.10 4.19 5.75 -1.26 -4.70 116.55 121.56 1sb3 n ASP 19 Ca -0.02 -2.49 -0.02 0.00 -0.01 0.00 0.00 54.79 52.26 1sb3 n ASP 19 Cb 0.05 -0.40 0.22 0.00 -1.03 0.00 0.00 41.12 39.96 1sb3 n ASP 19 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1sb3 h GLY 20 N 2.07 0.80 0.70 6.12 0.00 -1.45 -3.12 103.07 108.19 1sb3 h GLY 20 Ca 0.00 -0.46 0.04 0.00 0.00 0.00 0.00 47.33 46.91 1sb3 h GLY 20 CO 0.12 0.43 0.10 -2.08 0.00 0.00 0.00 176.54 175.11 1sb3 h VAL 21 N 0.72 0.89 0.00 4.60 2.07 -1.84 -1.71 116.25 120.99 1sb3 h VAL 21 Ca 0.16 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 1sb3 h VAL 21 Cb 0.29 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1sb3 h VAL 21 CO -0.00 0.04 -0.15 -0.33 0.02 0.00 0.00 177.57 177.15 1sb3 h GLU 22 N 0.24 0.00 -0.11 1.57 3.07 -1.91 -2.74 114.58 114.69 1sb3 h GLU 22 Ca 0.15 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.85 1sb3 h GLU 22 Cb 0.13 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.05 1sb3 h GLU 22 CO -0.16 0.15 -0.54 0.87 -1.40 0.00 0.00 179.01 177.94 1sb3 h LYS 23 N 0.00 0.56 0.00 2.33 1.57 -1.34 -0.61 116.57 119.08 1sb3 h LYS 23 Ca -0.00 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1sb3 h LYS 23 Cb 0.35 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1sb3 h LYS 23 CO 0.02 1.08 0.00 1.33 -0.57 0.00 0.00 179.45 181.31 1sb3 n VAL 24 N -4.20 0.38 0.93 0.50 0.24 -0.91 -3.15 118.33 112.12 1sb3 n VAL 24 Ca -0.08 -0.16 0.10 0.00 -2.04 0.00 0.00 64.34 62.15 1sb3 n VAL 24 Cb 0.62 -0.57 -0.08 0.00 -1.47 0.00 0.00 33.84 32.34 1sb3 n VAL 24 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1sb3 n THR 25 N -1.96 0.00 -1.03 3.34 -2.24 -1.05 -4.97 114.28 106.36 1sb3 n THR 25 Ca 0.06 -0.11 -0.01 0.00 -2.27 0.00 0.00 64.05 61.72 1sb3 n THR 25 Cb 0.39 1.07 -0.00 0.00 -2.10 0.00 0.00 70.33 69.69 1sb3 n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sb3 n GLY 26 N 1.43 0.50 0.12 3.38 0.00 -1.08 -4.91 105.19 104.63 1sb3 n GLY 26 Ca 0.05 -0.42 0.01 0.00 0.00 0.00 0.00 46.02 45.66 1sb3 n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sb3 h LYS 27 N 0.49 0.00 -6.56 1.61 1.57 -1.58 -3.45 116.57 108.65 1sb3 h LYS 27 Ca -0.02 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.23 1sb3 h LYS 27 Cb 0.14 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.50 1sb3 h LYS 27 CO 0.03 0.48 1.03 0.00 -0.57 0.00 0.00 179.45 180.42 1sb3 s ALA 28 N -2.93 3.80 -0.29 3.86 0.00 -0.33 -4.95 121.76 120.91 1sb3 s ALA 28 Ca 0.02 1.44 -0.11 0.00 0.00 0.00 0.00 51.96 53.30 1sb3 s ALA 28 Cb 0.08 -3.71 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 1sb3 s ALA 28 CO 0.77 -1.05 0.19 0.15 0.00 0.00 0.00 175.76 175.82 1sb3 s LYS 29 N 2.03 3.77 0.54 0.00 -0.14 -1.26 -4.99 119.74 119.69 1sb3 s LYS 29 Ca 0.76 -0.44 0.01 0.00 -1.36 0.00 0.00 55.97 54.95 1sb3 s LYS 29 Cb -0.46 -3.66 0.03 0.00 -1.68 0.00 0.00 37.83 32.06 1sb3 s LYS 29 CO 0.34 -0.26 0.77 0.71 -0.76 0.00 0.00 175.35 176.14 1sb3 s TYR 30 N 1.73 2.86 0.22 3.18 1.51 -1.26 -2.17 117.35 123.41 1sb3 s TYR 30 Ca 0.07 -0.02 -0.16 0.00 -1.01 0.00 0.00 57.07 55.95 1sb3 s TYR 30 Cb -0.16 -2.74 0.23 0.00 -0.11 0.00 0.00 41.96 39.18 1sb3 s TYR 30 CO 0.10 -0.85 1.59 1.15 -1.11 0.00 0.00 175.55 176.43 1sb3 h THR 31 N 0.09 0.20 0.00 -0.71 2.02 -1.93 0.11 112.91 112.70 1sb3 h THR 31 Ca -0.42 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1sb3 h THR 31 Cb 1.30 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1sb3 h THR 31 CO 0.52 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.41 1sb3 n ALA 32 N -3.23 1.73 0.63 6.16 0.00 -1.26 -2.39 120.51 122.15 1sb3 n ALA 32 Ca 0.08 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.58 1sb3 n ALA 32 Cb 0.37 -1.25 0.11 0.00 0.00 0.00 0.00 19.45 18.69 1sb3 n ALA 32 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1sb3 n ASP 33 N -1.45 0.64 -4.70 0.00 8.00 0.39 -4.92 116.55 114.52 1sb3 n ASP 33 Ca 0.05 -0.10 -0.42 0.00 0.71 0.00 0.00 54.79 55.03 1sb3 n ASP 33 Cb 0.16 0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 41.71 1sb3 n ASP 33 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1sb3 s ILE 34 N -3.16 3.23 0.31 0.53 1.01 -1.01 -4.91 121.20 117.20 1sb3 s ILE 34 Ca 0.06 0.76 -0.28 0.00 0.00 0.00 0.00 60.65 61.18 1sb3 s ILE 34 Cb 0.14 -3.49 -0.09 0.00 0.01 0.00 0.00 42.46 39.03 1sb3 s ILE 34 CO 0.76 0.02 1.11 0.00 0.00 0.00 0.00 174.94 176.83 1sb3 s ALA 35 N 1.96 3.35 -0.45 9.38 0.00 -1.26 -4.97 121.76 129.77 1sb3 s ALA 35 Ca 0.68 0.89 0.06 0.00 0.00 0.00 0.00 51.96 53.60 1sb3 s ALA 35 Cb -0.37 -3.33 0.19 0.00 0.00 0.00 0.00 23.12 19.60 1sb3 s ALA 35 CO 0.30 -0.21 0.70 0.00 0.00 0.00 0.00 175.76 176.55 1sb3 s ALA 36 N -1.24 -2.41 0.49 0.00 0.00 -1.26 -5.04 121.76 112.30 1sb3 s ALA 36 Ca 0.47 0.01 0.17 0.00 0.00 0.00 0.00 51.96 52.62 1sb3 s ALA 36 Cb -0.31 -2.75 1.22 0.00 0.00 0.00 0.00 23.12 21.28 1sb3 s ALA 36 CO 0.40 -2.25 2.06 -1.35 0.00 0.00 0.00 175.76 174.62 1sb3 h PRO 37 N 6.03 0.14 -0.05 0.00 0.11 -2.03 -2.07 132.00 134.14 1sb3 h PRO 37 Ca 0.05 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1sb3 h PRO 37 Cb 1.15 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1sb3 h PRO 37 CO 0.05 0.09 0.00 -0.25 -0.21 0.00 0.00 178.00 177.68 1sb3 n ASP 38 N -4.47 0.68 -4.73 -2.05 10.43 -1.26 -4.94 116.55 110.20 1sb3 n ASP 38 Ca 0.04 -1.41 -0.42 0.00 2.57 0.00 0.00 54.79 55.57 1sb3 n ASP 38 Cb 0.31 -0.03 -0.03 0.00 1.84 0.00 0.00 41.12 43.21 1sb3 n ASP 38 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1sb3 s ALA 39 N -1.95 3.66 0.35 2.24 0.00 -0.78 -4.56 121.76 120.72 1sb3 s ALA 39 Ca 0.35 1.30 -0.05 0.00 0.00 0.00 0.00 51.96 53.56 1sb3 s ALA 39 Cb 0.17 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 1sb3 s ALA 39 CO 0.28 -0.72 0.63 -0.51 0.00 0.00 0.00 175.76 175.44 1sb3 s LEU 40 N 0.30 3.94 -0.14 0.00 1.43 0.26 -4.87 118.68 119.60 1sb3 s LEU 40 Ca 0.63 0.79 -0.20 0.00 -1.03 0.00 0.00 54.13 54.32 1sb3 s LEU 40 Cb -0.41 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.13 1sb3 s LEU 40 CO 0.37 -0.31 0.55 -0.69 0.23 0.00 0.00 176.35 176.51 1sb3 s VAL 41 N -2.28 5.12 0.01 -1.59 1.01 0.63 -0.76 120.40 122.54 1sb3 s VAL 41 Ca 0.45 1.08 0.00 0.00 0.00 0.00 0.00 61.98 63.51 1sb3 s VAL 41 Cb -0.10 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1sb3 s VAL 41 CO 0.33 0.24 0.09 -0.83 0.00 0.00 0.00 175.10 174.93 1sb3 s GLY 42 N 0.88 2.03 -0.00 4.51 0.00 -0.64 -1.03 107.32 113.07 1sb3 s GLY 42 Ca 0.28 -0.89 -0.06 0.00 0.00 0.00 0.00 44.72 44.05 1sb3 s GLY 42 CO 0.11 -0.79 0.11 0.50 0.00 0.00 0.00 173.10 173.04 1sb3 s ARG 43 N -1.88 0.42 -0.13 2.90 1.81 -0.31 -4.40 118.95 117.36 1sb3 s ARG 43 Ca 0.25 -0.37 -0.01 0.00 -1.72 0.00 0.00 55.73 53.87 1sb3 s ARG 43 Cb -0.12 0.17 -0.02 0.00 -0.45 0.00 0.00 34.95 34.53 1sb3 s ARG 43 CO 0.16 -0.09 -0.07 0.42 -0.68 0.00 0.00 175.30 175.03 1sb3 s ILE 44 N -1.23 3.59 -0.35 1.52 1.01 -1.26 -0.73 121.20 123.74 1sb3 s ILE 44 Ca -0.13 -0.48 -0.23 0.00 0.00 0.00 0.00 60.65 59.81 1sb3 s ILE 44 Cb -0.07 -2.53 0.01 0.00 0.01 0.00 0.00 42.46 39.88 1sb3 s ILE 44 CO 0.01 0.53 0.77 -0.22 0.00 0.00 0.00 174.94 176.03 1sb3 s LEU 45 N 0.06 4.13 0.04 2.97 2.96 0.78 -4.97 118.68 124.65 1sb3 s LEU 45 Ca -0.02 0.39 0.01 0.00 -0.22 0.00 0.00 54.13 54.28 1sb3 s LEU 45 Cb -0.14 -3.01 -0.04 0.00 0.50 0.00 0.00 46.19 43.50 1sb3 s LEU 45 CO 0.03 -0.70 0.12 -0.13 -1.32 0.00 0.00 176.35 174.35 1sb3 s ARG 46 N 3.04 3.12 0.21 1.98 0.52 -1.26 -0.65 118.95 125.91 1sb3 s ARG 46 Ca 0.31 -0.53 -0.31 0.00 -0.52 0.00 0.00 55.73 54.68 1sb3 s ARG 46 Cb -0.13 -2.88 -0.10 0.00 0.52 0.00 0.00 34.95 32.36 1sb3 s ARG 46 CO 0.16 0.61 1.53 0.45 0.02 0.00 0.00 175.30 178.07 1sb3 s SER 47 N -2.16 6.58 0.00 0.23 0.15 0.80 -4.79 113.70 114.51 1sb3 s SER 47 Ca 0.28 2.68 0.28 0.00 0.70 0.00 0.00 55.95 59.88 1sb3 s SER 47 Cb -0.12 -2.61 0.98 0.00 -1.71 0.00 0.00 66.02 62.56 1sb3 s SER 47 CO 0.20 -0.79 1.70 -0.81 1.20 0.00 0.00 173.24 174.74 1sb3 n PRO 48 N 3.18 0.92 -4.50 5.44 -0.04 -1.26 -1.05 135.00 137.69 1sb3 n PRO 48 Ca 0.11 -0.47 -0.31 0.00 -0.04 0.00 0.00 63.50 62.79 1sb3 n PRO 48 Cb 0.39 -1.49 -0.11 0.00 -0.04 0.00 0.00 33.50 32.25 1sb3 n PRO 48 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1sb3 s HIS 49 N -2.41 2.71 0.19 0.54 3.76 -1.26 -4.92 115.29 113.91 1sb3 s HIS 49 Ca 0.28 -0.16 0.12 0.00 -0.15 0.00 0.00 55.06 55.16 1sb3 s HIS 49 Cb 0.20 -1.51 0.32 0.00 1.11 0.00 0.00 32.58 32.70 1sb3 s HIS 49 CO 0.47 0.33 1.58 0.00 -0.85 0.00 0.00 174.74 176.27 1sb3 h ALA 50 N 4.35 0.86 -2.16 -1.40 0.00 -1.89 -3.21 119.26 115.80 1sb3 h ALA 50 Ca -0.48 -0.56 0.02 0.00 0.00 0.00 0.00 54.91 53.89 1sb3 h ALA 50 Cb 1.16 -0.10 -0.22 0.00 0.00 0.00 0.00 17.79 18.63 1sb3 h ALA 50 CO 0.51 0.76 -0.19 -1.58 0.00 0.00 0.00 179.25 178.75 1sb3 s HIS 51 N -3.42 -1.15 -0.08 0.00 5.65 -1.26 -0.60 115.29 114.43 1sb3 s HIS 51 Ca -0.00 2.06 -0.31 0.00 0.25 0.00 0.00 55.06 57.06 1sb3 s HIS 51 Cb 0.11 0.64 0.12 0.00 -1.18 0.00 0.00 32.58 32.27 1sb3 s HIS 51 CO 0.75 -0.59 1.00 0.00 -0.65 0.00 0.00 174.74 175.25 1sb3 s ALA 52 N 2.66 -1.91 0.02 1.58 0.00 -0.91 -0.50 121.76 122.70 1sb3 s ALA 52 Ca -0.05 1.26 -0.08 0.00 0.00 0.00 0.00 51.96 53.09 1sb3 s ALA 52 Cb -0.11 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.07 1sb3 s ALA 52 CO -0.17 -0.61 0.31 1.03 0.00 0.00 0.00 175.76 176.31 1sb3 s ARG 53 N -2.67 3.64 -0.26 0.00 0.52 -0.42 -0.43 118.95 119.33 1sb3 s ARG 53 Ca 0.06 0.01 -0.16 0.00 -0.52 0.00 0.00 55.73 55.12 1sb3 s ARG 53 Cb -0.01 -3.07 -0.03 0.00 0.52 0.00 0.00 34.95 32.36 1sb3 s ARG 53 CO -0.07 0.63 0.43 0.42 0.02 0.00 0.00 175.30 176.73 1sb3 s ILE 54 N -1.31 5.14 -0.14 1.52 1.01 0.62 -0.84 121.20 127.20 1sb3 s ILE 54 Ca 0.29 0.71 0.01 0.00 0.00 0.00 0.00 60.65 61.65 1sb3 s ILE 54 Cb -0.14 -3.75 -0.24 0.00 0.01 0.00 0.00 42.46 38.35 1sb3 s ILE 54 CO 0.16 0.14 0.28 0.18 0.00 0.00 0.00 174.94 175.71 1sb3 n LEU 55 N 5.28 2.18 -3.44 2.97 4.77 0.20 -4.71 117.00 124.25 1sb3 n LEU 55 Ca -0.07 0.16 -0.11 0.00 -0.03 0.00 0.00 56.01 55.96 1sb3 n LEU 55 Cb 0.50 -0.71 -0.02 0.00 -2.33 0.00 0.00 43.42 40.86 1sb3 n LEU 55 CO 0.39 0.76 0.46 0.00 -1.33 0.00 0.00 177.39 177.66 1sb3 s ALA 56 N -2.55 -1.65 -0.14 -1.18 0.00 -1.16 -4.98 121.76 110.09 1sb3 s ALA 56 Ca -0.21 0.61 -0.07 0.00 0.00 0.00 0.00 51.96 52.29 1sb3 s ALA 56 Cb 0.07 0.78 0.05 0.00 0.00 0.00 0.00 23.12 24.02 1sb3 s ALA 56 CO 0.75 -0.74 0.34 -1.50 0.00 0.00 0.00 175.76 174.61 1sb3 s ILE 57 N -3.57 -0.05 -0.20 0.00 2.07 -1.26 -0.82 121.20 117.37 1sb3 s ILE 57 Ca 0.01 0.12 0.01 0.00 -1.41 0.00 0.00 60.65 59.38 1sb3 s ILE 57 Cb -0.01 -0.52 0.04 0.00 0.13 0.00 0.00 42.46 42.11 1sb3 s ILE 57 CO -0.12 0.05 -0.10 -0.62 -1.91 0.00 0.00 174.94 172.24 1sb3 s ASP 58 N 1.40 3.40 0.00 4.50 2.15 0.20 -4.98 116.67 123.34 1sb3 s ASP 58 Ca -0.09 -0.89 0.18 0.00 0.43 0.00 0.00 52.55 52.18 1sb3 s ASP 58 Cb -0.09 -1.24 0.20 0.00 -0.30 0.00 0.00 42.92 41.49 1sb3 s ASP 58 CO -0.11 -0.14 1.12 0.35 -0.17 0.00 0.00 175.17 176.22 1sb3 n THR 59 N 4.68 0.17 -0.28 1.71 -2.24 -1.26 -1.03 114.28 116.03 1sb3 n THR 59 Ca -0.15 -0.58 -0.01 0.00 -2.27 0.00 0.00 64.05 61.04 1sb3 n THR 59 Cb 0.47 1.22 0.11 0.00 -2.10 0.00 0.00 70.33 70.03 1sb3 n THR 59 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1sb3 h SER 60 N 3.46 0.76 -0.07 3.42 4.64 -1.93 0.11 113.55 123.93 1sb3 h SER 60 Ca 0.00 0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.26 1sb3 h SER 60 Cb 0.76 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 1sb3 h SER 60 CO 0.00 0.50 -0.18 0.00 -0.87 0.00 0.00 176.83 176.28 1sb3 h ALA 61 N 1.36 1.23 -0.19 5.18 0.00 -1.84 -2.17 119.26 122.83 1sb3 h ALA 61 Ca 0.33 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1sb3 h ALA 61 Cb 0.12 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1sb3 h ALA 61 CO -0.15 0.50 -0.16 0.00 0.00 0.00 0.00 179.25 179.44 1sb3 h ALA 62 N 1.42 0.27 0.00 0.00 0.00 -1.53 -2.76 119.26 116.65 1sb3 h ALA 62 Ca 0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1sb3 h ALA 62 Cb 0.55 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1sb3 h ALA 62 CO 0.04 0.16 -0.03 0.93 0.00 0.00 0.00 179.25 180.35 1sb3 h GLU 63 N 0.10 0.00 0.00 0.00 5.08 -0.84 -2.12 114.58 116.81 1sb3 h GLU 63 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1sb3 h GLU 63 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1sb3 h GLU 63 CO 0.04 0.03 -0.56 0.00 -1.00 0.00 0.00 179.01 177.52 1sb3 n ALA 64 N -2.29 3.40 -2.02 3.43 0.00 -0.83 -4.88 120.51 117.32 1sb3 n ALA 64 Ca -0.03 -0.33 -0.42 0.00 0.00 0.00 0.00 53.44 52.66 1sb3 n ALA 64 Cb 0.12 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.41 1sb3 n ALA 64 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1sb3 s LEU 65 N -3.31 4.37 0.22 0.00 2.96 -0.80 -4.93 118.68 117.19 1sb3 s LEU 65 Ca 0.10 2.50 -0.31 0.00 -0.22 0.00 0.00 54.13 56.19 1sb3 s LEU 65 Cb 0.16 -3.59 -0.11 0.00 0.50 0.00 0.00 46.19 43.15 1sb3 s LEU 65 CO 0.71 -0.73 1.61 -0.70 -1.32 0.00 0.00 176.35 175.92 1sb3 s GLU 66 N 0.89 4.17 0.00 1.98 2.12 -1.26 -1.74 118.70 124.86 1sb3 s GLU 66 Ca 0.66 2.48 0.00 0.00 0.36 0.00 0.00 54.97 58.47 1sb3 s GLU 66 Cb -0.41 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 30.89 1sb3 s GLU 66 CO 0.33 -0.64 0.00 0.41 -0.54 0.00 0.00 175.26 174.82 1sb3 n GLY 67 N 3.31 0.05 3.68 -1.50 0.00 -1.26 -5.00 105.19 104.47 1sb3 n GLY 67 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1sb3 n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sb3 s VAL 68 N -2.01 5.14 -0.19 1.61 1.01 -0.71 -1.23 120.40 124.03 1sb3 s VAL 68 Ca 0.00 0.91 0.16 0.00 0.00 0.00 0.00 61.98 63.05 1sb3 s VAL 68 Cb 0.00 -3.82 -0.23 0.00 0.00 0.00 0.00 36.38 32.33 1sb3 s VAL 68 CO 0.00 0.23 0.04 -0.38 0.00 0.00 0.00 175.10 174.99 1sb3 n ILE 69 N 4.26 1.32 -3.64 2.22 2.08 -0.20 -4.91 119.36 120.49 1sb3 n ILE 69 Ca -0.06 -0.79 -0.15 0.00 0.56 0.00 0.00 62.75 62.31 1sb3 n ILE 69 Cb 0.51 -0.56 -0.07 0.00 -0.75 0.00 0.00 39.64 38.77 1sb3 n ILE 69 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1sb3 s ALA 70 N -2.46 -1.27 -0.06 -1.39 0.00 -1.02 -4.69 121.76 110.87 1sb3 s ALA 70 Ca -0.11 0.78 -0.03 0.00 0.00 0.00 0.00 51.96 52.60 1sb3 s ALA 70 Cb 0.06 0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.30 1sb3 s ALA 70 CO 0.76 -0.34 0.14 0.08 0.00 0.00 0.00 175.76 176.40 1sb3 s VAL 71 N -1.42 -0.04 0.11 0.00 1.01 -1.26 -1.22 120.40 117.57 1sb3 s VAL 71 Ca -0.11 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.07 1sb3 s VAL 71 Cb -0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 1sb3 s VAL 71 CO 0.06 0.06 -0.12 0.00 0.00 0.00 0.00 175.10 175.11 1sb3 s THR 73 N -2.31 0.06 0.66 0.00 -4.23 -1.26 -1.51 115.64 107.05 1sb3 s THR 73 Ca 0.07 -2.00 0.40 0.00 -1.18 0.00 0.00 61.69 58.98 1sb3 s THR 73 Cb -0.04 -2.49 0.41 0.00 1.34 0.00 0.00 72.50 71.73 1sb3 s THR 73 CO 0.01 0.00 2.27 1.23 -0.54 0.00 0.00 174.62 177.59 1sb3 h GLY 74 N 2.17 0.00 2.00 3.99 0.00 -1.69 -1.23 103.07 108.31 1sb3 h GLY 74 Ca -0.27 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 1sb3 h GLY 74 CO 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.92 1sb3 h ALA 75 N 1.87 1.36 -0.20 3.60 0.00 -1.89 -1.41 119.26 122.60 1sb3 h ALA 75 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sb3 h ALA 75 Cb 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1sb3 h ALA 75 CO -0.00 0.03 0.00 0.39 0.00 0.00 0.00 179.25 179.67 1sb3 n GLU 76 N -3.64 2.18 -3.42 0.00 1.02 -0.46 -4.53 120.64 111.78 1sb3 n GLU 76 Ca -0.03 -1.75 -0.26 0.00 -0.02 0.00 0.00 57.16 55.10 1sb3 n GLU 76 Cb 0.11 -1.47 -0.09 0.00 -0.02 0.00 0.00 31.44 29.97 1sb3 n GLU 76 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1sb3 n THR 77 N 1.02 0.81 1.56 2.62 -2.24 -0.53 -4.94 114.28 112.58 1sb3 n THR 77 Ca 0.17 -4.55 0.14 0.00 -2.27 0.00 0.00 64.05 57.54 1sb3 n THR 77 Cb 0.51 -2.01 0.77 0.00 -2.10 0.00 0.00 70.33 67.50 1sb3 n THR 77 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1sb3 n PRO 78 N 1.47 0.66 -4.07 -0.78 -0.04 -1.26 -4.71 135.00 126.27 1sb3 n PRO 78 Ca 0.26 0.01 -0.35 0.00 -0.04 0.00 0.00 63.50 63.38 1sb3 n PRO 78 Cb 0.45 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.27 1sb3 n PRO 78 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1sb3 s VAL 79 N -2.27 3.39 0.86 0.52 1.01 -1.26 -5.11 120.40 117.54 1sb3 s VAL 79 Ca 0.35 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.71 1sb3 s VAL 79 Cb 0.19 -2.52 0.11 0.00 0.00 0.00 0.00 36.38 34.16 1sb3 s VAL 79 CO 0.37 0.44 1.18 -2.16 0.00 0.00 0.00 175.10 174.93 1sb3 s PRO 80 N 1.22 1.53 0.05 2.72 0.04 -1.26 -4.60 135.00 134.70 1sb3 s PRO 80 Ca 0.03 0.12 -0.06 0.00 0.04 0.00 0.00 61.00 61.13 1sb3 s PRO 80 Cb -0.14 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 1sb3 s PRO 80 CO -0.01 -1.90 0.10 -0.59 0.04 0.00 0.00 177.00 174.65 1sb3 s PHE 81 N -3.50 0.21 -0.07 0.56 -0.12 0.41 -4.85 117.98 110.62 1sb3 s PHE 81 Ca 0.64 -0.56 -0.30 0.00 -0.05 0.00 0.00 56.93 56.66 1sb3 s PHE 81 Cb -0.12 -0.15 0.09 0.00 -0.63 0.00 0.00 43.02 42.22 1sb3 s PHE 81 CO 0.51 -0.40 0.78 0.20 -0.05 0.00 0.00 175.22 176.26 1sb3 s GLY 82 N -2.31 -0.49 0.38 1.99 0.00 -1.26 -2.47 107.32 103.17 1sb3 s GLY 82 Ca -0.02 1.49 0.16 0.00 0.00 0.00 0.00 44.72 46.35 1sb3 s GLY 82 CO -0.06 0.94 1.82 -0.24 0.00 0.00 0.00 173.10 175.55 1sb3 h VAL 83 N 2.81 1.10 -3.47 1.40 3.04 -1.82 -3.41 116.25 115.90 1sb3 h VAL 83 Ca -0.25 -1.32 -0.61 0.00 -1.01 0.00 0.00 66.70 63.51 1sb3 h VAL 83 Cb 1.15 1.75 -0.13 0.00 -2.01 0.00 0.00 31.29 32.05 1sb3 h VAL 83 CO 0.36 0.36 -0.49 -0.76 -1.01 0.00 0.00 177.57 176.04 1sb3 s LEU 84 N -7.74 4.15 0.44 3.16 1.02 -1.26 -5.00 118.68 113.44 1sb3 s LEU 84 Ca -0.02 0.17 0.18 0.00 0.02 0.00 0.00 54.13 54.48 1sb3 s LEU 84 Cb 0.13 -2.12 1.11 0.00 0.02 0.00 0.00 46.19 45.33 1sb3 s LEU 84 CO 0.70 0.10 1.89 -0.65 0.02 0.00 0.00 176.35 178.41 1sb3 h PRO 85 N 7.22 0.36 -0.00 1.29 0.11 -1.86 -1.31 132.00 137.81 1sb3 h PRO 85 Ca -0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1sb3 h PRO 85 Cb 1.16 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1sb3 h PRO 85 CO 0.69 0.24 -0.00 0.44 -0.21 0.00 0.00 178.00 179.15 1sb3 n ILE 86 N -4.47 0.00 -3.09 4.15 -5.35 -1.26 -4.32 119.36 105.01 1sb3 n ILE 86 Ca 0.17 -0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.44 1sb3 n ILE 86 Cb 0.63 -0.48 -0.04 0.00 -1.74 0.00 0.00 39.64 38.01 1sb3 n ILE 86 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sb3 n ALA 87 N -1.20 1.46 -3.49 -1.28 0.00 -0.49 -5.05 120.51 110.46 1sb3 n ALA 87 Ca 0.17 -2.87 -0.42 0.00 0.00 0.00 0.00 53.44 50.32 1sb3 n ALA 87 Cb 0.21 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 18.65 1sb3 n ALA 87 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1sb3 s GLU 88 N -0.63 2.94 -0.08 0.00 2.02 -1.25 -4.37 118.70 117.33 1sb3 s GLU 88 Ca 0.34 -2.18 0.12 0.00 0.02 0.00 0.00 54.97 53.27 1sb3 s GLU 88 Cb 0.17 -4.09 0.18 0.00 0.10 0.00 0.00 34.13 30.49 1sb3 s GLU 88 CO -0.15 -1.24 1.07 0.27 0.02 0.00 0.00 175.26 175.24 1sb3 n ASN 89 N 4.29 1.73 -4.52 -0.19 0.23 -1.21 -4.39 115.26 111.20 1sb3 n ASN 89 Ca 0.02 -2.63 -0.34 0.00 -0.53 0.00 0.00 54.58 51.11 1sb3 n ASN 89 Cb 0.42 -0.31 -0.12 0.00 -2.08 0.00 0.00 39.78 37.70 1sb3 n ASN 89 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 1sb3 s GLU 90 N -1.92 3.68 -0.02 -3.83 2.12 -1.03 -4.91 118.70 112.79 1sb3 s GLU 90 Ca 0.20 -0.50 -0.05 0.00 0.36 0.00 0.00 54.97 54.98 1sb3 s GLU 90 Cb 0.17 -2.94 -0.04 0.00 0.26 0.00 0.00 34.13 31.58 1sb3 s GLU 90 CO 0.02 0.26 0.21 0.71 -0.54 0.00 0.00 175.26 175.92 1sb3 s TYR 91 N 0.32 3.57 0.20 5.30 2.02 -1.26 -0.44 117.35 127.06 1sb3 s TYR 91 Ca -0.03 0.49 -0.11 0.00 -0.37 0.00 0.00 57.07 57.05 1sb3 s TYR 91 Cb -0.14 -1.92 0.27 0.00 -0.40 0.00 0.00 41.96 39.76 1sb3 s TYR 91 CO 0.03 0.65 1.70 -1.35 -1.57 0.00 0.00 175.55 175.00 1sb3 h PRO 92 N 4.13 0.21 -5.41 -1.71 0.11 -1.84 -3.38 132.00 124.11 1sb3 h PRO 92 Ca -0.51 -0.01 -0.61 0.00 0.11 0.00 0.00 66.00 64.99 1sb3 h PRO 92 Cb 1.20 -0.05 -0.32 0.00 0.11 0.00 0.00 31.00 31.95 1sb3 h PRO 92 CO 0.66 0.14 -0.85 -0.51 -0.21 0.00 0.00 178.00 177.22 1sb3 s LEU 93 N -10.54 1.95 0.32 2.35 1.43 -1.26 -4.75 118.68 108.18 1sb3 s LEU 93 Ca -0.13 -0.41 -0.28 0.00 -1.03 0.00 0.00 54.13 52.27 1sb3 s LEU 93 Cb 0.17 -1.12 -0.13 0.00 0.03 0.00 0.00 46.19 45.15 1sb3 s LEU 93 CO 0.74 0.16 1.19 0.00 0.23 0.00 0.00 176.35 178.67 1sb3 n ALA 94 N 3.21 0.73 -3.69 4.21 0.00 0.02 -4.28 120.51 120.72 1sb3 n ALA 94 Ca -0.19 0.37 -0.25 0.00 0.00 0.00 0.00 53.44 53.37 1sb3 n ALA 94 Cb 0.53 -2.17 -0.17 0.00 0.00 0.00 0.00 19.45 17.64 1sb3 n ALA 94 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1sb3 s ARG 95 N -1.73 1.57 0.00 0.00 0.52 -1.26 -3.82 118.95 114.22 1sb3 s ARG 95 Ca 0.57 -0.32 0.00 0.00 -0.52 0.00 0.00 55.73 55.46 1sb3 s ARG 95 Cb -0.62 -1.46 0.00 0.00 0.52 0.00 0.00 34.95 33.39 1sb3 s ARG 95 CO 0.61 -0.12 0.00 -0.25 0.02 0.00 0.00 175.30 175.56 1sb3 n ASP 96 N 4.38 0.00 -3.69 0.23 8.00 -1.26 -4.86 116.55 119.35 1sb3 n ASP 96 Ca -0.18 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.21 1sb3 n ASP 96 Cb 0.51 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.55 1sb3 n ASP 96 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1sb3 s LYS 97 N 0.00 0.98 0.05 -1.24 -2.85 -1.26 -0.27 119.74 115.14 1sb3 s LYS 97 Ca 0.00 -0.67 0.04 0.00 -1.00 0.00 0.00 55.97 54.34 1sb3 s LYS 97 Cb 0.00 0.42 -0.04 0.00 -2.06 0.00 0.00 37.83 36.16 1sb3 s LYS 97 CO 0.00 -0.36 -0.02 0.14 0.10 0.00 0.00 175.35 175.21 1sb3 s VAL 98 N -3.44 3.91 0.00 1.79 -7.23 0.43 -4.89 120.40 110.97 1sb3 s VAL 98 Ca 0.01 -0.89 0.00 0.00 -1.81 0.00 0.00 61.98 59.29 1sb3 s VAL 98 Cb 0.02 -2.80 0.00 0.00 0.56 0.00 0.00 36.38 34.15 1sb3 s VAL 98 CO -0.09 0.23 0.78 0.54 -0.31 0.00 0.00 175.10 176.25 1sb3 n ARG 99 N 0.96 1.65 -3.53 4.82 1.74 -1.26 -2.15 116.66 118.89 1sb3 n ARG 99 Ca -0.13 -1.09 -0.11 0.00 -0.77 0.00 0.00 57.85 55.76 1sb3 n ARG 99 Cb 0.52 -0.90 -0.04 0.00 -1.02 0.00 0.00 32.46 31.03 1sb3 n ARG 99 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 1sb3 s TYR 100 N -0.61 -0.40 -0.27 -1.55 1.13 0.23 -4.06 117.35 111.82 1sb3 s TYR 100 Ca 0.00 0.49 -0.29 0.00 -1.41 0.00 0.00 57.07 55.86 1sb3 s TYR 100 Cb 0.00 0.49 -0.01 0.00 -1.10 0.00 0.00 41.96 41.34 1sb3 s TYR 100 CO 0.00 -0.49 1.36 0.50 -2.51 0.00 0.00 175.55 174.41 1sb3 s ARG 101 N -2.15 3.93 0.00 -3.49 3.52 -1.21 -1.67 118.95 117.88 1sb3 s ARG 101 Ca 0.00 1.39 0.00 0.00 -0.13 0.00 0.00 55.73 56.99 1sb3 s ARG 101 Cb -0.01 -3.90 0.00 0.00 -1.56 0.00 0.00 34.95 29.48 1sb3 s ARG 101 CO -0.03 -1.11 0.00 0.41 -0.81 0.00 0.00 175.30 173.76 1sb3 n GLY 102 N 4.31 1.58 3.68 8.12 0.00 -0.21 -4.81 105.19 117.85 1sb3 n GLY 102 Ca 0.15 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.71 1sb3 n GLY 102 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sb3 n ASP 103 N 0.00 3.41 -4.71 1.61 4.64 -0.67 -4.28 116.55 116.55 1sb3 n ASP 103 Ca 0.00 1.01 -0.42 0.00 -1.38 0.00 0.00 54.79 54.00 1sb3 n ASP 103 Cb 0.00 -1.41 -0.03 0.00 -1.04 0.00 0.00 41.12 38.63 1sb3 n ASP 103 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 1sb3 n PRO 104 N 5.42 2.77 -0.04 -0.67 -0.02 -1.26 -0.14 135.00 141.05 1sb3 n PRO 104 Ca 0.20 1.00 -0.05 0.00 -2.02 0.00 0.00 63.50 62.63 1sb3 n PRO 104 Cb 0.30 -2.85 -0.04 0.00 -0.02 0.00 0.00 33.50 30.89 1sb3 n PRO 104 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1sb3 n VAL 105 N 4.07 0.49 -3.95 -1.45 0.31 0.17 -0.80 118.33 117.18 1sb3 n VAL 105 Ca 0.16 -0.22 -0.10 0.00 -0.01 0.00 0.00 64.34 64.17 1sb3 n VAL 105 Cb 0.35 -0.81 -0.02 0.00 -0.91 0.00 0.00 33.84 32.45 1sb3 n VAL 105 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sb3 s ALA 106 N -2.17 -0.19 0.10 3.52 0.00 -1.11 -3.97 121.76 117.93 1sb3 s ALA 106 Ca -0.09 -0.97 -0.23 0.00 0.00 0.00 0.00 51.96 50.67 1sb3 s ALA 106 Cb 0.03 0.95 0.06 0.00 0.00 0.00 0.00 23.12 24.16 1sb3 s ALA 106 CO 0.23 -0.90 0.56 0.00 0.00 0.00 0.00 175.76 175.65 1sb3 s ALA 107 N -3.20 -1.45 0.03 0.00 0.00 -0.57 -0.16 121.76 116.42 1sb3 s ALA 107 Ca 0.21 0.55 -0.01 0.00 0.00 0.00 0.00 51.96 52.71 1sb3 s ALA 107 Cb -0.03 0.60 -0.03 0.00 0.00 0.00 0.00 23.12 23.67 1sb3 s ALA 107 CO 0.13 -0.63 -0.01 0.54 0.00 0.00 0.00 175.76 175.79 1sb3 s VAL 108 N -3.06 0.16 -0.11 0.00 0.11 0.09 -0.91 120.40 116.68 1sb3 s VAL 108 Ca -0.02 -1.28 0.01 0.00 -2.93 0.00 0.00 61.98 57.75 1sb3 s VAL 108 Cb -0.00 -0.83 0.02 0.00 -1.53 0.00 0.00 36.38 34.03 1sb3 s VAL 108 CO -0.07 -0.71 -0.12 0.00 -3.33 0.00 0.00 175.10 170.88 1sb3 s ALA 109 N -2.56 1.51 0.25 1.54 0.00 -0.36 -1.17 121.76 120.97 1sb3 s ALA 109 Ca -0.06 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.27 1sb3 s ALA 109 Cb -0.02 -0.86 -0.05 0.00 0.00 0.00 0.00 23.12 22.19 1sb3 s ALA 109 CO -0.05 -0.23 0.10 0.00 0.00 0.00 0.00 175.76 175.57 1sb3 s ALA 110 N 1.30 1.64 0.36 0.00 0.00 -0.20 -1.03 121.76 123.83 1sb3 s ALA 110 Ca -0.01 -1.83 0.30 0.00 0.00 0.00 0.00 51.96 50.41 1sb3 s ALA 110 Cb -0.14 1.06 1.48 0.00 0.00 0.00 0.00 23.12 25.52 1sb3 s ALA 110 CO -0.05 -0.47 2.06 -0.84 0.00 0.00 0.00 175.76 176.46 1sb3 h ILE 111 N 2.43 0.43 -3.25 0.00 3.07 -1.47 0.18 117.51 118.89 1sb3 h ILE 111 Ca -0.38 -0.55 -0.03 0.00 1.55 0.00 0.00 64.86 65.45 1sb3 h ILE 111 Cb 1.25 1.38 -0.04 0.00 -0.27 0.00 0.00 36.82 39.14 1sb3 h ILE 111 CO 0.60 0.10 0.14 1.51 -1.05 0.00 0.00 178.15 179.45 1sb3 s ASP 112 N -5.99 0.03 0.09 2.16 1.47 -1.26 -4.62 116.67 108.56 1sb3 s ASP 112 Ca -0.02 -1.00 -0.19 0.00 1.18 0.00 0.00 52.55 52.52 1sb3 s ASP 112 Cb 0.12 0.75 -0.08 0.00 -0.34 0.00 0.00 42.92 43.37 1sb3 s ASP 112 CO 0.57 -1.45 1.60 -0.33 0.68 0.00 0.00 175.17 176.23 1sb3 h GLU 113 N 2.05 0.35 -0.62 2.11 3.07 -1.93 -1.69 114.58 117.92 1sb3 h GLU 113 Ca -0.27 -0.08 0.05 0.00 -0.50 0.00 0.00 59.36 58.56 1sb3 h GLU 113 Cb 1.25 -0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 29.06 1sb3 h GLU 113 CO 0.34 0.44 0.35 0.28 -1.40 0.00 0.00 179.01 179.03 1sb3 h VAL 114 N 0.20 0.99 -0.44 3.13 2.07 -1.99 -0.24 116.25 119.96 1sb3 h VAL 114 Ca 0.07 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 1sb3 h VAL 114 Cb 0.24 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1sb3 h VAL 114 CO -0.00 0.12 -0.01 0.74 0.02 0.00 0.00 177.57 178.44 1sb3 h THR 115 N 0.66 1.26 -0.78 2.57 2.02 -1.94 -1.84 112.91 114.86 1sb3 h THR 115 Ca 0.27 -1.06 -0.04 0.00 0.77 0.00 0.00 66.41 66.35 1sb3 h THR 115 Cb 0.14 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 1sb3 h THR 115 CO -0.16 0.36 0.31 0.00 0.37 0.00 0.00 175.52 176.41 1sb3 h ALA 116 N 0.90 1.09 -0.46 6.16 0.00 -0.82 0.39 119.26 126.52 1sb3 h ALA 116 Ca 0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1sb3 h ALA 116 Cb 0.51 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1sb3 h ALA 116 CO 0.02 0.65 0.23 1.49 0.00 0.00 0.00 179.25 181.64 1sb3 h GLU 117 N 1.13 0.66 -0.78 0.00 4.57 -0.90 -1.75 114.58 117.50 1sb3 h GLU 117 Ca 0.26 -0.09 -0.05 0.00 -1.18 0.00 0.00 59.36 58.30 1sb3 h GLU 117 Cb 0.20 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 1sb3 h GLU 117 CO -0.02 0.55 0.28 0.87 -1.18 0.00 0.00 179.01 179.51 1sb3 h LYS 118 N 0.60 1.18 -0.53 1.92 1.79 -0.89 -2.88 116.57 117.77 1sb3 h LYS 118 Ca 0.16 -0.23 0.02 0.00 -2.18 0.00 0.00 60.65 58.42 1sb3 h LYS 118 Cb 0.10 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 30.54 1sb3 h LYS 118 CO -0.02 0.97 0.32 0.00 -1.08 0.00 0.00 179.45 179.65 1sb3 h ALA 119 N 1.15 0.68 -0.57 3.86 0.00 -0.51 -2.42 119.26 121.45 1sb3 h ALA 119 Ca 0.26 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1sb3 h ALA 119 Cb 0.25 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1sb3 h ALA 119 CO -0.02 0.04 0.30 -0.07 0.00 0.00 0.00 179.25 179.51 1sb3 h LEU 120 N 0.65 0.44 -1.89 0.00 3.38 -1.12 -2.06 115.31 114.70 1sb3 h LEU 120 Ca 0.21 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 1sb3 h LEU 120 Cb 0.00 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1sb3 h LEU 120 CO -0.08 0.29 -0.12 0.00 0.09 0.00 0.00 178.44 178.62 1sb3 h ALA 121 N 1.30 1.32 -0.00 1.53 0.00 -1.32 -2.28 119.26 119.81 1sb3 h ALA 121 Ca 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1sb3 h ALA 121 Cb 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1sb3 h ALA 121 CO -0.17 0.15 -0.03 1.28 0.00 0.00 0.00 179.25 180.48 1sb3 n LEU 122 N -3.70 0.06 -4.67 0.00 4.77 -0.78 -4.78 117.00 107.90 1sb3 n LEU 122 Ca -0.02 0.36 -0.42 0.00 -0.03 0.00 0.00 56.01 55.91 1sb3 n LEU 122 Cb 0.24 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.91 1sb3 n LEU 122 CO 0.30 0.01 0.72 -0.63 -1.33 0.00 0.00 177.39 176.46 1sb3 s ILE 123 N -2.81 4.82 -0.24 -0.08 1.01 -0.86 -4.24 121.20 118.79 1sb3 s ILE 123 Ca 0.20 1.79 -0.10 0.00 0.00 0.00 0.00 60.65 62.55 1sb3 s ILE 123 Cb 0.19 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 1sb3 s ILE 123 CO 0.51 -0.03 0.14 -0.75 0.00 0.00 0.00 174.94 174.81 1sb3 s LYS 124 N 2.40 3.95 -0.09 2.79 2.20 -0.20 -4.95 119.74 125.85 1sb3 s LYS 124 Ca 0.41 -0.33 0.04 0.00 -0.36 0.00 0.00 55.97 55.73 1sb3 s LYS 124 Cb -0.16 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 1sb3 s LYS 124 CO 0.12 -0.00 -0.21 0.08 -0.36 0.00 0.00 175.35 174.98 1sb3 s VAL 125 N 1.21 1.79 -0.26 4.02 1.01 -1.26 0.59 120.40 127.50 1sb3 s VAL 125 Ca 0.06 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 61.09 1sb3 s VAL 125 Cb -0.14 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 1sb3 s VAL 125 CO 0.05 0.50 0.11 -1.81 0.00 0.00 0.00 175.10 173.95 1sb3 s ASP 126 N 0.42 5.40 0.14 3.32 -0.00 0.00 -4.99 116.67 120.96 1sb3 s ASP 126 Ca -0.18 -0.17 0.07 0.00 -0.00 0.00 0.00 52.55 52.28 1sb3 s ASP 126 Cb -0.17 -1.98 -0.04 0.00 -0.00 0.00 0.00 42.92 40.72 1sb3 s ASP 126 CO 0.07 -0.05 -0.03 -0.31 -0.00 0.00 0.00 175.17 174.86 1sb3 s TYR 127 N 1.66 2.83 -0.37 4.23 1.51 -1.26 0.59 117.35 126.54 1sb3 s TYR 127 Ca 0.06 -0.13 -0.02 0.00 -1.01 0.00 0.00 57.07 55.98 1sb3 s TYR 127 Cb -0.15 -1.42 0.09 0.00 -0.11 0.00 0.00 41.96 40.37 1sb3 s TYR 127 CO 0.06 0.49 0.13 -2.00 -1.11 0.00 0.00 175.55 173.11 1sb3 s GLU 128 N -2.64 2.05 0.27 -0.62 2.12 -0.02 -4.90 118.70 114.95 1sb3 s GLU 128 Ca 0.26 -1.67 -0.30 0.00 0.36 0.00 0.00 54.97 53.61 1sb3 s GLU 128 Cb -0.10 -3.42 -0.10 0.00 0.26 0.00 0.00 34.13 30.76 1sb3 s GLU 128 CO 0.17 -0.93 1.48 0.08 -0.54 0.00 0.00 175.26 175.52 1sb3 s VAL 129 N 1.14 2.49 0.32 3.70 1.01 -1.26 -1.31 120.40 126.49 1sb3 s VAL 129 Ca 0.05 0.41 0.10 0.00 0.00 0.00 0.00 61.98 62.54 1sb3 s VAL 129 Cb -0.21 -3.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.85 1sb3 s VAL 129 CO -0.04 0.07 -0.07 -0.76 0.00 0.00 0.00 175.10 174.30 1sb3 s LEU 130 N -0.48 2.83 0.38 3.92 1.43 0.35 -4.92 118.68 122.18 1sb3 s LEU 130 Ca 0.60 -1.04 -0.27 0.00 -1.03 0.00 0.00 54.13 52.39 1sb3 s LEU 130 Cb -0.43 -1.21 -0.10 0.00 0.03 0.00 0.00 46.19 44.48 1sb3 s LEU 130 CO 0.45 -0.14 1.37 -2.84 0.23 0.00 0.00 176.35 175.42 1sb3 s PRO 131 N -3.63 4.11 -0.01 1.29 0.02 -1.26 -4.53 135.00 130.98 1sb3 s PRO 131 Ca 0.33 2.33 0.04 0.00 0.02 0.00 0.00 61.00 63.71 1sb3 s PRO 131 Cb -0.01 -2.91 -0.03 0.00 0.02 0.00 0.00 34.50 31.57 1sb3 s PRO 131 CO 0.17 -0.44 -0.10 0.00 -0.33 0.00 0.00 177.00 176.30 1sb3 s ALA 132 N -1.17 2.86 -0.16 -1.55 0.00 -1.26 -4.81 121.76 115.67 1sb3 s ALA 132 Ca 0.53 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1sb3 s ALA 132 Cb -0.42 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 21.67 1sb3 s ALA 132 CO 0.55 0.59 -0.16 0.71 0.00 0.00 0.00 175.76 177.45 1sb3 s TYR 133 N -0.90 2.78 -0.11 0.00 1.51 -1.26 -4.99 117.35 114.38 1sb3 s TYR 133 Ca 0.15 -1.10 0.16 0.00 -1.01 0.00 0.00 57.07 55.27 1sb3 s TYR 133 Cb -0.11 -1.89 -0.20 0.00 -0.11 0.00 0.00 41.96 39.65 1sb3 s TYR 133 CO 0.05 -0.51 0.61 -1.33 -1.11 0.00 0.00 175.55 173.26 1sb3 n MET 134 N 4.12 0.64 -4.42 -0.62 2.81 -1.26 -0.59 117.12 117.80 1sb3 n MET 134 Ca -0.19 0.17 -0.25 0.00 -1.81 0.00 0.00 57.70 55.62 1sb3 n MET 134 Cb 0.52 -1.73 -0.10 0.00 -0.71 0.00 0.00 33.22 31.20 1sb3 n MET 134 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1sb3 s THR 135 N -2.79 2.64 0.11 2.03 -4.23 -1.26 -4.88 115.64 107.26 1sb3 s THR 135 Ca -0.05 -2.21 -0.22 0.00 -1.18 0.00 0.00 61.69 58.03 1sb3 s THR 135 Cb 0.08 -2.36 -0.10 0.00 1.34 0.00 0.00 72.50 71.46 1sb3 s THR 135 CO 0.83 -0.32 1.73 -0.65 -0.54 0.00 0.00 174.62 175.66 1sb3 h PRO 136 N 2.44 0.01 -0.92 3.99 0.11 -1.91 -1.38 132.00 134.33 1sb3 h PRO 136 Ca -0.42 -0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.84 1sb3 h PRO 136 Cb 1.24 -0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.26 1sb3 h PRO 136 CO 0.57 0.01 0.53 0.87 -0.21 0.00 0.00 178.00 179.77 1sb3 h LYS 137 N 0.01 0.72 -0.25 1.05 1.57 -1.98 0.52 116.57 118.21 1sb3 h LYS 137 Ca 0.04 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1sb3 h LYS 137 Cb 0.06 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 1sb3 h LYS 137 CO -0.09 0.48 -0.35 0.00 -0.57 0.00 0.00 179.45 178.92 1sb3 h ALA 138 N 1.58 0.38 0.00 3.86 0.00 -1.86 -2.62 119.26 120.60 1sb3 h ALA 138 Ca 0.50 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1sb3 h ALA 138 Cb 0.68 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1sb3 h ALA 138 CO -0.34 0.44 -0.26 0.00 0.00 0.00 0.00 179.25 179.09 1sb3 h ALA 139 N 0.66 1.33 0.00 0.00 0.00 -0.52 -2.88 119.26 117.84 1sb3 h ALA 139 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1sb3 h ALA 139 Cb 0.94 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1sb3 h ALA 139 CO 0.08 0.33 -0.47 -1.33 0.00 0.00 0.00 179.25 177.86 1sb3 n MET 140 N -3.88 0.24 -1.65 0.00 2.00 0.10 -4.53 117.12 109.41 1sb3 n MET 140 Ca -0.02 0.10 -0.44 0.00 0.00 0.00 0.00 57.70 57.34 1sb3 n MET 140 Cb 0.35 -1.68 -0.01 0.00 0.00 0.00 0.00 33.22 31.88 1sb3 n MET 140 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1sb3 n LYS 141 N -2.04 1.78 -1.69 0.03 4.81 -0.99 -4.86 118.16 115.20 1sb3 n LYS 141 Ca 0.04 0.63 -0.44 0.00 -0.87 0.00 0.00 58.31 57.66 1sb3 n LYS 141 Cb 0.42 -2.12 -0.03 0.00 0.02 0.00 0.00 35.03 33.32 1sb3 n LYS 141 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1sb3 n ALA 142 N 0.38 1.80 0.00 3.14 0.00 -1.26 -1.11 120.51 123.46 1sb3 n ALA 142 Ca 0.07 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1sb3 n ALA 142 Cb 0.34 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.40 1sb3 n ALA 142 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sb3 n GLY 143 N 3.24 2.61 3.70 0.00 0.00 -1.26 -5.03 105.19 108.44 1sb3 n GLY 143 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1sb3 n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sb3 n ALA 144 N -1.40 1.46 -1.88 4.61 0.00 -0.27 -4.90 120.51 118.13 1sb3 n ALA 144 Ca 0.00 0.38 -0.41 0.00 0.00 0.00 0.00 53.44 53.40 1sb3 n ALA 144 Cb 0.00 -2.30 -0.02 0.00 0.00 0.00 0.00 19.45 17.13 1sb3 n ALA 144 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sb3 s ILE 145 N -0.65 2.71 -0.04 0.00 1.01 -1.26 -4.96 121.20 118.01 1sb3 s ILE 145 Ca 0.60 0.61 -0.30 0.00 0.00 0.00 0.00 60.65 61.56 1sb3 s ILE 145 Cb -0.58 -3.39 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 1sb3 s ILE 145 CO 0.57 0.10 1.09 0.00 0.00 0.00 0.00 174.94 176.70 1sb3 s ALA 146 N -0.15 3.38 0.17 9.38 0.00 -1.26 -4.93 121.76 128.35 1sb3 s ALA 146 Ca 0.58 0.56 -0.14 0.00 0.00 0.00 0.00 51.96 52.95 1sb3 s ALA 146 Cb -0.41 -3.44 0.06 0.00 0.00 0.00 0.00 23.12 19.32 1sb3 s ALA 146 CO 0.44 -0.56 1.81 -0.07 0.00 0.00 0.00 175.76 177.38 1sb3 h LEU 147 N 7.66 0.63 -8.21 0.00 4.07 -1.91 -3.41 115.31 114.13 1sb3 h LEU 147 Ca -0.36 -0.05 -0.63 0.00 0.08 0.00 0.00 57.88 56.92 1sb3 h LEU 147 Cb 1.18 -0.16 -0.33 0.00 1.08 0.00 0.00 40.66 42.42 1sb3 h LEU 147 CO 0.84 0.49 -0.86 -1.00 -1.08 0.00 0.00 178.44 176.83 1sb3 s HIS 148 N -6.01 2.22 0.46 1.13 3.76 -1.26 -5.05 115.29 110.55 1sb3 s HIS 148 Ca -0.13 -0.92 0.17 0.00 -0.15 0.00 0.00 55.06 54.03 1sb3 s HIS 148 Cb 0.12 -1.52 1.13 0.00 1.11 0.00 0.00 32.58 33.42 1sb3 s HIS 148 CO 0.75 -0.40 2.00 -0.44 -0.85 0.00 0.00 174.74 175.80 1sb3 h ASP 149 N 6.87 0.26 0.14 1.40 3.32 -1.99 -1.71 116.42 124.70 1sb3 h ASP 149 Ca -0.24 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1sb3 h ASP 149 Cb 1.22 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1sb3 h ASP 149 CO 0.48 0.15 0.00 -0.90 -1.72 0.00 0.00 179.24 177.25 1sb3 n ASP 150 N -4.46 0.00 -3.31 6.45 3.85 -1.26 -3.72 116.55 114.11 1sb3 n ASP 150 Ca 0.09 -0.41 -0.25 0.00 -0.71 0.00 0.00 54.79 53.51 1sb3 n ASP 150 Cb 0.40 -0.11 -0.08 0.00 -1.35 0.00 0.00 41.12 39.99 1sb3 n ASP 150 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1sb3 n LYS 151 N -1.11 0.97 -0.39 0.11 4.76 -0.64 -5.00 118.16 116.86 1sb3 n LYS 151 Ca 0.13 -3.52 0.31 0.00 -2.87 0.00 0.00 58.31 52.36 1sb3 n LYS 151 Cb 0.10 -1.54 0.58 0.00 -1.84 0.00 0.00 35.03 32.34 1sb3 n LYS 151 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 1sb3 h PRO 152 N 4.44 0.19 -0.62 1.97 0.11 -1.71 0.10 132.00 136.48 1sb3 h PRO 152 Ca 0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1sb3 h PRO 152 Cb 0.84 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1sb3 h PRO 152 CO 0.52 0.13 0.00 0.27 -0.21 0.00 0.00 178.00 178.71 1sb3 n ASN 153 N -4.78 3.63 -1.53 -2.05 6.94 -1.26 -4.44 115.26 111.78 1sb3 n ASN 153 Ca 0.33 -2.34 -0.19 0.00 -0.02 0.00 0.00 54.58 52.36 1sb3 n ASN 153 Cb 1.21 -0.50 -0.08 0.00 -2.36 0.00 0.00 39.78 38.05 1sb3 n ASN 153 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1sb3 n ASN 154 N 0.74 -5.03 -4.43 0.53 3.02 0.36 -4.45 115.26 105.99 1sb3 n ASN 154 Ca 0.19 0.46 -0.40 0.00 -0.03 0.00 0.00 54.58 54.81 1sb3 n ASN 154 Cb 0.69 -4.45 -0.11 0.00 -0.61 0.00 0.00 39.78 35.30 1sb3 n ASN 154 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1sb3 s ILE 155 N -2.59 4.71 0.08 2.41 1.01 -1.26 -0.94 121.20 124.62 1sb3 s ILE 155 Ca 0.00 -0.54 -0.16 0.00 0.00 0.00 0.00 60.65 59.95 1sb3 s ILE 155 Cb 0.00 -3.49 -0.11 0.00 0.01 0.00 0.00 42.46 38.88 1sb3 s ILE 155 CO 0.00 -0.06 1.38 0.25 0.00 0.00 0.00 174.94 176.52 1sb3 h LEU 156 N 8.41 0.69 -7.06 2.97 5.85 -0.96 -3.46 115.31 121.74 1sb3 h LEU 156 Ca -0.30 -0.50 -0.06 0.00 0.84 0.00 0.00 57.88 57.87 1sb3 h LEU 156 Cb 1.13 -0.19 -0.21 0.00 0.37 0.00 0.00 40.66 41.76 1sb3 h LEU 156 CO 0.64 1.05 0.08 -0.60 -0.34 0.00 0.00 178.44 179.27 1sb3 s ARG 157 N -4.25 0.81 0.10 1.25 6.06 -1.20 -5.01 118.95 116.72 1sb3 s ARG 157 Ca -0.13 0.82 0.10 0.00 -2.50 0.00 0.00 55.73 54.02 1sb3 s ARG 157 Cb 0.08 0.39 -0.04 0.00 0.06 0.00 0.00 34.95 35.45 1sb3 s ARG 157 CO 0.82 -0.13 -0.26 -1.21 -2.50 0.00 0.00 175.30 172.02 1sb3 s GLU 158 N 0.11 1.56 -0.05 5.12 2.02 -1.26 -0.66 118.70 125.55 1sb3 s GLU 158 Ca -0.02 -1.26 0.03 0.00 0.02 0.00 0.00 54.97 53.75 1sb3 s GLU 158 Cb -0.04 -1.95 0.00 0.00 0.10 0.00 0.00 34.13 32.25 1sb3 s GLU 158 CO 0.02 0.47 -0.13 0.08 0.02 0.00 0.00 175.26 175.72 1sb3 s VAL 159 N -0.99 1.14 -0.22 2.63 1.01 0.21 -4.97 120.40 119.21 1sb3 s VAL 159 Ca 0.14 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 1sb3 s VAL 159 Cb -0.10 -1.01 0.09 0.00 0.00 0.00 0.00 36.38 35.36 1sb3 s VAL 159 CO 0.05 0.34 0.17 -1.00 0.00 0.00 0.00 175.10 174.66 1sb3 s HIS 160 N 0.30 -0.01 0.06 5.22 3.76 -1.25 -0.99 115.29 122.38 1sb3 s HIS 160 Ca -0.07 -0.26 -0.00 0.00 -0.15 0.00 0.00 55.06 54.57 1sb3 s HIS 160 Cb -0.12 -0.61 -0.04 0.00 1.11 0.00 0.00 32.58 32.92 1sb3 s HIS 160 CO 0.02 -0.67 -0.04 0.00 -0.85 0.00 0.00 174.74 173.21 1sb3 s ALA 161 N 2.22 0.58 -0.05 -1.40 0.00 0.14 -5.01 121.76 118.24 1sb3 s ALA 161 Ca 0.06 -1.19 -0.04 0.00 0.00 0.00 0.00 51.96 50.80 1sb3 s ALA 161 Cb -0.16 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.21 1sb3 s ALA 161 CO -0.19 -0.32 0.12 -1.21 0.00 0.00 0.00 175.76 174.15 1sb3 s GLU 162 N -3.69 0.13 -0.20 0.00 2.02 -1.26 -0.56 118.70 115.14 1sb3 s GLU 162 Ca 0.06 0.18 0.00 0.00 0.02 0.00 0.00 54.97 55.24 1sb3 s GLU 162 Cb 0.06 0.04 0.05 0.00 0.10 0.00 0.00 34.13 34.38 1sb3 s GLU 162 CO -0.08 -0.03 -0.07 -0.06 0.02 0.00 0.00 175.26 175.04 1sb3 s PHE 163 N 0.17 2.19 0.00 1.61 0.08 0.78 -4.98 117.98 117.83 1sb3 s PHE 163 Ca -0.01 -1.51 0.00 0.00 0.12 0.00 0.00 56.93 55.53 1sb3 s PHE 163 Cb -0.02 -1.52 0.00 0.00 -0.57 0.00 0.00 43.02 40.91 1sb3 s PHE 163 CO -0.00 -0.72 0.00 0.41 -0.10 0.00 0.00 175.22 174.80 1sb3 n GLY 164 N 4.74 -2.16 3.33 4.36 0.00 -1.26 -0.84 105.19 113.36 1sb3 n GLY 164 Ca -0.13 -1.60 -0.46 0.00 0.00 0.00 0.00 46.02 43.83 1sb3 n GLY 164 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sb3 s ASP 165 N -3.51 6.38 0.07 1.61 -1.08 -1.26 -4.85 116.67 114.03 1sb3 s ASP 165 Ca 0.00 -2.01 -0.21 0.00 -0.52 0.00 0.00 52.55 49.81 1sb3 s ASP 165 Cb 0.00 -2.23 -0.12 0.00 -1.46 0.00 0.00 42.92 39.11 1sb3 s ASP 165 CO 0.00 -0.83 1.56 0.58 0.52 0.00 0.00 175.17 177.01 1sb3 h VAL 166 N 5.56 1.19 -0.51 1.11 2.07 -1.92 0.13 116.25 123.89 1sb3 h VAL 166 Ca -0.16 -0.60 0.07 0.00 0.82 0.00 0.00 66.70 66.83 1sb3 h VAL 166 Cb 1.08 1.34 -0.06 0.00 -1.52 0.00 0.00 31.29 32.12 1sb3 h VAL 166 CO 0.97 0.18 0.17 0.00 0.02 0.00 0.00 177.57 178.91 1sb3 h ALA 167 N 0.84 0.62 -0.20 1.67 0.00 -1.99 0.10 119.26 120.30 1sb3 h ALA 167 Ca 0.04 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1sb3 h ALA 167 Cb 0.25 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1sb3 h ALA 167 CO -0.00 -0.23 0.04 0.00 0.00 0.00 0.00 179.25 179.06 1sb3 h ALA 168 N 1.36 0.26 -0.95 0.00 0.00 -1.93 -2.03 119.26 115.96 1sb3 h ALA 168 Ca 0.25 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1sb3 h ALA 168 Cb 0.29 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1sb3 h ALA 168 CO -0.27 -0.08 0.60 0.00 0.00 0.00 0.00 179.25 179.50 1sb3 h ALA 169 N 0.85 1.36 -0.15 0.00 0.00 -0.11 -1.41 119.26 119.80 1sb3 h ALA 169 Ca 0.06 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1sb3 h ALA 169 Cb 0.28 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1sb3 h ALA 169 CO 0.00 0.31 -0.35 0.74 0.00 0.00 0.00 179.25 179.95 1sb3 h PHE 170 N 1.04 0.36 0.00 0.00 0.04 -0.58 -2.26 116.94 115.54 1sb3 h PHE 170 Ca 0.44 -0.09 -0.03 0.00 2.80 0.00 0.00 57.97 61.08 1sb3 h PHE 170 Cb 0.28 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.34 1sb3 h PHE 170 CO -0.02 0.63 -0.16 0.00 -0.60 0.00 0.00 178.31 178.17 1sb3 h ALA 171 N 1.36 1.27 -0.01 2.45 0.00 -0.53 -2.09 119.26 121.71 1sb3 h ALA 171 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1sb3 h ALA 171 Cb 0.75 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1sb3 h ALA 171 CO 0.06 0.20 -0.01 -1.91 0.00 0.00 0.00 179.25 177.58 1sb3 n GLU 172 N -3.67 1.45 -3.03 0.00 2.13 -0.86 -4.92 120.64 111.74 1sb3 n GLU 172 Ca -0.02 -0.71 -0.34 0.00 0.66 0.00 0.00 57.16 56.76 1sb3 n GLU 172 Cb 0.28 -1.49 -0.06 0.00 0.27 0.00 0.00 31.44 30.44 1sb3 n GLU 172 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1sb3 s ALA 173 N -2.04 3.29 -0.21 4.31 0.00 -0.79 -4.91 121.76 121.42 1sb3 s ALA 173 Ca 0.39 0.19 0.21 0.00 0.00 0.00 0.00 51.96 52.76 1sb3 s ALA 173 Cb 0.21 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 1sb3 s ALA 173 CO 0.36 0.28 0.98 -0.25 0.00 0.00 0.00 175.76 177.13 1sb3 n ASP 174 N 0.03 0.82 -3.71 0.00 8.00 0.79 -4.88 116.55 117.61 1sb3 n ASP 174 Ca 0.02 0.32 -0.12 0.00 0.71 0.00 0.00 54.79 55.73 1sb3 n ASP 174 Cb 0.52 0.45 -0.12 0.00 -0.02 0.00 0.00 41.12 41.95 1sb3 n ASP 174 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1sb3 s LEU 175 N -5.40 0.12 -0.07 0.64 2.96 -0.48 -4.92 118.68 111.53 1sb3 s LEU 175 Ca -0.01 0.65 0.02 0.00 -0.22 0.00 0.00 54.13 54.56 1sb3 s LEU 175 Cb 0.10 0.90 0.02 0.00 0.50 0.00 0.00 46.19 47.71 1sb3 s LEU 175 CO 0.80 -0.19 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.91 1sb3 s ILE 176 N 1.56 0.97 0.04 6.68 1.01 -1.26 -0.85 121.20 129.35 1sb3 s ILE 176 Ca -0.07 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.21 1sb3 s ILE 176 Cb -0.10 -0.92 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 1sb3 s ILE 176 CO -0.10 0.32 -0.04 -0.13 0.00 0.00 0.00 174.94 175.00 1sb3 s ARG 177 N 0.86 0.45 -0.01 2.79 1.81 -1.07 -5.03 118.95 118.75 1sb3 s ARG 177 Ca -0.11 -0.85 -0.03 0.00 -1.72 0.00 0.00 55.73 53.02 1sb3 s ARG 177 Cb -0.15 0.08 -0.00 0.00 -0.45 0.00 0.00 34.95 34.43 1sb3 s ARG 177 CO 0.01 -0.06 0.05 -1.83 -0.68 0.00 0.00 175.30 172.80 1sb3 s GLU 178 N -2.36 0.22 -0.00 3.54 -1.05 -1.26 -1.63 118.70 116.16 1sb3 s GLU 178 Ca -0.07 -0.21 -0.09 0.00 -0.15 0.00 0.00 54.97 54.44 1sb3 s GLU 178 Cb -0.04 0.09 0.01 0.00 -0.44 0.00 0.00 34.13 33.75 1sb3 s GLU 178 CO -0.04 -0.04 0.19 0.21 0.95 0.00 0.00 175.26 176.53 1sb3 s LYS 179 N -0.68 0.53 -0.14 -4.83 2.20 0.17 -4.98 119.74 112.02 1sb3 s LYS 179 Ca -0.08 -0.34 -0.04 0.00 -0.36 0.00 0.00 55.97 55.16 1sb3 s LYS 179 Cb -0.05 0.23 -0.03 0.00 -1.51 0.00 0.00 37.83 36.47 1sb3 s LYS 179 CO 0.00 -0.13 -0.00 0.99 -0.36 0.00 0.00 175.35 175.84 1sb3 s THR 180 N -1.36 4.24 0.01 3.43 2.01 -1.26 -0.42 115.64 122.28 1sb3 s THR 180 Ca -0.14 -0.25 0.06 0.00 0.31 0.00 0.00 61.69 61.67 1sb3 s THR 180 Cb -0.07 -2.84 -0.02 0.00 0.01 0.00 0.00 72.50 69.58 1sb3 s THR 180 CO 0.02 0.53 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.97 1sb3 s TYR 181 N -0.09 1.76 0.07 4.92 2.02 0.72 -4.88 117.35 121.87 1sb3 s TYR 181 Ca 0.04 -0.35 0.09 0.00 -0.37 0.00 0.00 57.07 56.48 1sb3 s TYR 181 Cb -0.13 -1.10 -0.03 0.00 -0.40 0.00 0.00 41.96 40.30 1sb3 s TYR 181 CO 0.02 0.02 -0.25 0.95 -1.57 0.00 0.00 175.55 174.72 1sb3 s THR 182 N -0.60 2.02 -0.09 -0.71 -4.23 0.03 0.45 115.64 112.50 1sb3 s THR 182 Ca 0.07 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 1sb3 s THR 182 Cb -0.08 -1.76 0.02 0.00 1.34 0.00 0.00 72.50 72.02 1sb3 s THR 182 CO 0.00 0.20 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.86 1sb3 s PHE 183 N -0.92 1.30 0.86 3.99 0.40 0.26 -1.29 117.98 122.58 1sb3 s PHE 183 Ca 0.11 -0.58 -0.11 0.00 -0.60 0.00 0.00 56.93 55.75 1sb3 s PHE 183 Cb -0.10 -1.10 0.11 0.00 0.51 0.00 0.00 43.02 42.45 1sb3 s PHE 183 CO 0.03 -0.42 1.16 0.00 0.70 0.00 0.00 175.22 176.69 1sb3 s ALA 184 N 1.50 1.71 0.25 5.36 0.00 -0.52 -1.22 121.76 128.84 1sb3 s ALA 184 Ca 0.00 0.63 -0.30 0.00 0.00 0.00 0.00 51.96 52.30 1sb3 s ALA 184 Cb -0.13 -3.44 -0.09 0.00 0.00 0.00 0.00 23.12 19.46 1sb3 s ALA 184 CO -0.05 -2.46 1.07 -2.00 0.00 0.00 0.00 175.76 172.32 1sb3 s GLU 185 N -4.50 4.67 0.28 0.00 2.12 -1.26 -4.56 118.70 115.45 1sb3 s GLU 185 Ca 0.68 1.72 0.06 0.00 0.36 0.00 0.00 54.97 57.79 1sb3 s GLU 185 Cb -0.24 -3.23 -0.06 0.00 0.26 0.00 0.00 34.13 30.86 1sb3 s GLU 185 CO 0.55 0.24 -0.05 0.14 -0.54 0.00 0.00 175.26 175.60 1sb3 s VAL 186 N -0.93 1.62 0.17 3.70 -7.23 -0.81 -1.36 120.40 115.55 1sb3 s VAL 186 Ca 0.45 -2.12 0.10 0.00 -1.81 0.00 0.00 61.98 58.60 1sb3 s VAL 186 Cb -0.30 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 1sb3 s VAL 186 CO 0.38 -0.29 -0.22 0.21 -0.31 0.00 0.00 175.10 174.86 1sb3 s ASN 187 N -3.44 3.10 0.28 4.85 3.84 -1.26 -2.24 114.94 120.08 1sb3 s ASN 187 Ca 0.30 -0.83 0.01 0.00 0.21 0.00 0.00 52.86 52.55 1sb3 s ASN 187 Cb 0.04 -0.21 0.42 0.00 -0.55 0.00 0.00 41.25 40.95 1sb3 s ASN 187 CO 0.12 0.07 1.77 0.45 -2.79 0.00 0.00 177.10 176.72 1sb3 h HIS 188 N 3.38 0.64 -6.88 0.43 3.86 -1.90 -3.48 115.15 111.21 1sb3 h HIS 188 Ca -0.46 -0.10 -0.58 0.00 -1.16 0.00 0.00 60.37 58.07 1sb3 h HIS 188 Cb 1.20 -0.17 -0.08 0.00 1.06 0.00 0.00 27.41 29.42 1sb3 h HIS 188 CO 0.67 0.69 -0.98 0.28 0.86 0.00 0.00 177.93 179.45 1sb3 n VAL 189 N -4.19 -2.41 -2.13 2.45 0.31 -1.26 -4.91 118.33 106.19 1sb3 n VAL 189 Ca 0.01 -0.59 -0.40 0.00 -0.01 0.00 0.00 64.34 63.36 1sb3 n VAL 189 Cb 0.34 -2.04 -0.02 0.00 -0.91 0.00 0.00 33.84 31.21 1sb3 n VAL 189 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1sb3 s HIS 190 N -3.90 2.99 0.34 3.52 -3.43 -1.26 -4.91 115.29 108.64 1sb3 s HIS 190 Ca 0.25 1.45 0.23 0.00 -0.80 0.00 0.00 55.06 56.19 1sb3 s HIS 190 Cb -0.13 -3.62 1.16 0.00 -1.43 0.00 0.00 32.58 28.56 1sb3 s HIS 190 CO 0.96 -1.81 1.96 0.52 -2.00 0.00 0.00 174.74 174.37 1sb3 h MET 191 N 3.03 0.00 -6.55 -0.38 0.00 -1.91 -3.42 114.93 105.70 1sb3 h MET 191 Ca -0.49 0.00 -0.52 0.00 0.00 0.00 0.00 59.70 58.69 1sb3 h MET 191 Cb 1.23 0.00 -0.02 0.00 0.00 0.00 0.00 31.60 32.81 1sb3 h MET 191 CO 0.64 0.20 0.31 -2.00 0.00 0.00 0.00 176.91 176.06 1sb3 s GLU 192 N -4.06 4.68 0.49 1.72 2.12 -1.22 -5.03 118.70 117.40 1sb3 s GLU 192 Ca -0.02 1.37 -0.20 0.00 0.36 0.00 0.00 54.97 56.49 1sb3 s GLU 192 Cb 0.13 -3.35 -0.08 0.00 0.26 0.00 0.00 34.13 31.08 1sb3 s GLU 192 CO 0.63 0.30 1.03 -0.51 -0.54 0.00 0.00 175.26 176.17 1sb3 s LEU 193 N -0.29 3.82 0.47 2.70 1.43 -1.26 -4.96 118.68 120.59 1sb3 s LEU 193 Ca 0.44 1.89 -0.24 0.00 -1.03 0.00 0.00 54.13 55.18 1sb3 s LEU 193 Cb -0.23 -4.55 -0.07 0.00 0.03 0.00 0.00 46.19 41.36 1sb3 s LEU 193 CO 0.29 -0.76 1.34 0.20 0.23 0.00 0.00 176.35 177.64 1sb3 s ASN 194 N -2.09 5.85 -0.12 2.29 0.01 -1.26 -4.89 114.94 114.73 1sb3 s ASN 194 Ca 0.66 2.72 -0.30 0.00 -0.71 0.00 0.00 52.86 55.23 1sb3 s ASN 194 Cb -0.15 -2.64 0.11 0.00 0.41 0.00 0.00 41.25 38.98 1sb3 s ASN 194 CO 0.21 -1.17 0.92 0.00 -1.51 0.00 0.00 177.10 175.54 1sb3 s ALA 195 N -1.29 -1.89 -0.05 0.60 0.00 -1.26 -1.43 121.76 116.44 1sb3 s ALA 195 Ca 0.63 1.48 -0.03 0.00 0.00 0.00 0.00 51.96 54.05 1sb3 s ALA 195 Cb -0.39 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.29 1sb3 s ALA 195 CO 0.49 -0.35 0.11 0.99 0.00 0.00 0.00 175.76 176.99 1sb3 s THR 196 N -1.28 -0.03 -0.27 0.00 2.01 -0.62 -1.68 115.64 113.76 1sb3 s THR 196 Ca -0.03 0.11 -0.03 0.00 0.31 0.00 0.00 61.69 62.04 1sb3 s THR 196 Cb -0.00 -0.17 0.03 0.00 0.01 0.00 0.00 72.50 72.36 1sb3 s THR 196 CO 0.03 0.04 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.77 1sb3 s LEU 197 N 0.66 3.53 -0.20 4.42 2.96 0.77 -0.76 118.68 130.05 1sb3 s LEU 197 Ca -0.05 -0.90 -0.03 0.00 -0.22 0.00 0.00 54.13 52.93 1sb3 s LEU 197 Cb -0.07 -1.74 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 1sb3 s LEU 197 CO -0.03 -0.17 -0.06 0.00 -1.32 0.00 0.00 176.35 174.77 1sb3 s ALA 198 N 1.37 2.79 -0.33 5.97 0.00 0.91 -1.56 121.76 130.91 1sb3 s ALA 198 Ca -0.00 -1.12 -0.02 0.00 0.00 0.00 0.00 51.96 50.82 1sb3 s ALA 198 Cb -0.17 -1.62 0.06 0.00 0.00 0.00 0.00 23.12 21.39 1sb3 s ALA 198 CO -0.02 -0.31 0.05 -2.00 0.00 0.00 0.00 175.76 173.49 1sb3 s GLU 199 N 1.27 2.35 -0.23 0.00 2.12 0.53 -0.14 118.70 124.60 1sb3 s GLU 199 Ca 0.03 -1.37 -0.09 0.00 0.36 0.00 0.00 54.97 53.90 1sb3 s GLU 199 Cb -0.14 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 1sb3 s GLU 199 CO -0.02 -0.72 0.12 -0.47 -0.54 0.00 0.00 175.26 173.63 1sb3 s TYR 200 N 1.24 3.24 -0.49 5.30 5.04 -0.16 -1.01 117.35 130.51 1sb3 s TYR 200 Ca -0.02 0.06 -0.16 0.00 -2.44 0.00 0.00 57.07 54.51 1sb3 s TYR 200 Cb -0.20 -2.23 0.09 0.00 0.35 0.00 0.00 41.96 39.96 1sb3 s TYR 200 CO -0.01 -0.02 0.43 0.34 -1.34 0.00 0.00 175.55 174.95 1sb3 s ASP 201 N 1.08 6.16 0.50 4.32 -1.08 0.52 -3.76 116.67 124.42 1sb3 s ASP 201 Ca 0.06 -1.45 0.29 0.00 -0.52 0.00 0.00 52.55 50.94 1sb3 s ASP 201 Cb -0.14 -2.20 1.06 0.00 -1.46 0.00 0.00 42.92 40.19 1sb3 s ASP 201 CO 0.04 -0.72 1.87 1.55 0.52 0.00 0.00 175.17 178.44 1sb3 h PRO 202 N 8.80 0.00 -0.60 4.34 0.13 -1.85 0.42 132.00 143.24 1sb3 h PRO 202 Ca -0.29 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.74 1sb3 h PRO 202 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1sb3 h PRO 202 CO 0.93 0.06 -0.02 0.28 -0.23 0.00 0.00 178.00 179.01 1sb3 h VAL 203 N 0.00 1.27 -0.00 1.56 2.07 -1.96 -3.25 116.25 115.93 1sb3 h VAL 203 Ca -0.00 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.34 1sb3 h VAL 203 Cb 0.67 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1sb3 h VAL 203 CO 0.01 0.43 -0.46 0.54 0.02 0.00 0.00 177.57 178.11 1sb3 n ARG 204 N -4.17 2.50 -3.32 1.57 1.74 -1.18 -5.02 116.66 108.77 1sb3 n ARG 204 Ca 0.03 -0.28 -0.17 0.00 -0.77 0.00 0.00 57.85 56.65 1sb3 n ARG 204 Cb 0.36 -1.12 0.06 0.00 -1.02 0.00 0.00 32.46 30.74 1sb3 n ARG 204 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1sb3 n ASP 205 N -0.85 -6.47 -4.14 0.55 2.03 0.14 -5.03 116.55 102.78 1sb3 n ASP 205 Ca 0.04 -0.74 -0.20 0.00 0.52 0.00 0.00 54.79 54.41 1sb3 n ASP 205 Cb 0.23 -4.86 -0.13 0.00 -0.72 0.00 0.00 41.12 35.63 1sb3 n ASP 205 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1sb3 s MET 206 N -4.62 0.93 -0.06 -0.67 -1.94 -0.90 -4.87 119.30 107.18 1sb3 s MET 206 Ca 0.44 -0.74 0.04 0.00 -1.71 0.00 0.00 55.69 53.71 1sb3 s MET 206 Cb -0.08 -0.93 0.00 0.00 2.01 0.00 0.00 34.83 35.83 1sb3 s MET 206 CO 0.76 0.23 -0.16 -1.17 -0.01 0.00 0.00 175.02 174.67 1sb3 s LEU 207 N -1.11 1.85 -0.09 -0.03 2.96 0.54 -0.35 118.68 122.44 1sb3 s LEU 207 Ca 0.02 -0.37 0.03 0.00 -0.22 0.00 0.00 54.13 53.59 1sb3 s LEU 207 Cb -0.08 -0.99 0.01 0.00 0.50 0.00 0.00 46.19 45.63 1sb3 s LEU 207 CO 0.01 0.11 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.08 1sb3 s THR 208 N 0.31 1.63 -0.03 3.68 2.01 -0.18 -0.86 115.64 122.20 1sb3 s THR 208 Ca -0.10 -0.75 0.07 0.00 0.31 0.00 0.00 61.69 61.22 1sb3 s THR 208 Cb -0.14 -1.45 -0.02 0.00 0.01 0.00 0.00 72.50 70.90 1sb3 s THR 208 CO 0.04 0.46 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.43 1sb3 s LEU 209 N 0.64 2.12 -0.15 4.42 1.43 0.39 -0.34 118.68 127.18 1sb3 s LEU 209 Ca -0.14 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.53 1sb3 s LEU 209 Cb -0.16 -1.36 0.01 0.00 0.03 0.00 0.00 46.19 44.70 1sb3 s LEU 209 CO 0.04 0.32 -0.19 0.20 0.23 0.00 0.00 176.35 176.94 1sb3 s ASN 210 N -0.59 3.29 0.07 2.29 0.01 -0.60 -0.03 114.94 119.37 1sb3 s ASN 210 Ca 0.09 -0.57 -0.14 0.00 -0.71 0.00 0.00 52.86 51.53 1sb3 s ASN 210 Cb -0.10 -1.49 0.02 0.00 0.41 0.00 0.00 41.25 40.09 1sb3 s ASN 210 CO -0.01 0.07 0.33 0.28 -1.51 0.00 0.00 177.10 176.26 1sb3 s THR 211 N 0.90 0.08 -1.30 1.60 -1.32 -1.10 -0.17 115.64 114.33 1sb3 s THR 211 Ca -0.05 -0.69 -0.17 0.00 -1.21 0.00 0.00 61.69 59.57 1sb3 s THR 211 Cb -0.15 -1.05 0.09 0.00 -1.51 0.00 0.00 72.50 69.87 1sb3 s THR 211 CO -0.03 -0.38 1.75 0.35 -2.21 0.00 0.00 174.62 174.09 1sb3 n THR 212 N 0.28 3.96 -4.15 5.08 -2.24 -0.68 -4.50 114.28 112.03 1sb3 n THR 212 Ca -0.17 -4.10 -0.16 0.00 -2.27 0.00 0.00 64.05 57.35 1sb3 n THR 212 Cb 0.61 -2.40 -0.11 0.00 -2.10 0.00 0.00 70.33 66.33 1sb3 n THR 212 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1sb3 s THR 213 N 3.61 0.95 -1.57 4.28 -1.32 -1.26 -4.87 115.64 115.45 1sb3 s THR 213 Ca 0.51 -1.40 0.22 0.00 -1.21 0.00 0.00 61.69 59.82 1sb3 s THR 213 Cb 0.04 -1.10 -0.07 0.00 -1.51 0.00 0.00 72.50 69.85 1sb3 s THR 213 CO 0.05 -0.38 1.07 0.00 -2.21 0.00 0.00 174.62 173.14 1sb3 n GLN 214 N 1.02 0.66 -3.24 7.08 6.02 0.02 -4.64 117.38 124.30 1sb3 n GLN 214 Ca -0.19 -0.54 -0.24 0.00 -0.01 0.00 0.00 57.00 56.02 1sb3 n GLN 214 Cb 0.56 -1.49 -0.07 0.00 1.02 0.00 0.00 30.24 30.26 1sb3 n GLN 214 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1sb3 n VAL 215 N -0.70 0.34 0.22 5.09 0.24 -1.19 -1.81 118.33 120.53 1sb3 n VAL 215 Ca 0.07 -4.46 0.15 0.00 -2.04 0.00 0.00 64.34 58.06 1sb3 n VAL 215 Cb 0.40 -1.81 0.80 0.00 -1.47 0.00 0.00 33.84 31.76 1sb3 n VAL 215 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1sb3 h PRO 216 N 3.91 0.00 0.06 7.34 0.13 -1.91 -1.48 132.00 140.05 1sb3 h PRO 216 Ca 0.11 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1sb3 h PRO 216 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1sb3 h PRO 216 CO 0.58 0.00 -0.03 -0.92 -0.23 0.00 0.00 178.00 177.40 1sb3 h TYR 217 N 0.00 -0.07 -0.79 1.56 -0.00 -1.90 -0.50 116.97 115.27 1sb3 h TYR 217 Ca 0.06 -0.00 0.01 0.00 -0.00 0.00 0.00 58.73 58.81 1sb3 h TYR 217 Cb 0.32 0.02 -0.04 0.00 -0.00 0.00 0.00 36.73 37.03 1sb3 h TYR 217 CO 0.00 0.24 0.52 1.88 -0.00 0.00 0.00 178.16 180.80 1sb3 h TYR 218 N -0.38 0.98 -0.68 -3.82 0.05 -1.60 -1.34 116.97 110.18 1sb3 h TYR 218 Ca -0.01 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.72 1sb3 h TYR 218 Cb 0.34 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.72 1sb3 h TYR 218 CO 0.03 0.61 0.14 0.28 -1.05 0.00 0.00 178.16 178.17 1sb3 h VAL 219 N 1.05 1.26 -0.31 -2.88 2.07 -1.25 -0.47 116.25 115.71 1sb3 h VAL 219 Ca 0.30 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.84 1sb3 h VAL 219 Cb -0.08 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1sb3 h VAL 219 CO -0.07 0.38 0.17 -0.74 0.02 0.00 0.00 177.57 177.33 1sb3 h HIS 220 N 1.02 0.32 -0.18 1.57 6.17 -0.09 0.61 115.15 124.57 1sb3 h HIS 220 Ca 0.21 0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.28 1sb3 h HIS 220 Cb 0.40 -0.10 -0.01 0.00 2.52 0.00 0.00 27.41 30.23 1sb3 h HIS 220 CO 0.03 0.18 0.05 -0.07 0.71 0.00 0.00 177.93 178.83 1sb3 h LEU 221 N 0.35 0.28 -0.59 0.26 3.38 -0.97 -2.35 115.31 115.67 1sb3 h LEU 221 Ca 0.13 -0.23 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 1sb3 h LEU 221 Cb 0.02 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1sb3 h LEU 221 CO -0.07 0.44 -0.49 0.11 0.09 0.00 0.00 178.44 178.51 1sb3 h LYS 222 N 0.11 0.54 -0.30 1.13 1.79 -0.93 -0.71 116.57 118.20 1sb3 h LYS 222 Ca 0.06 -0.31 -0.04 0.00 -2.18 0.00 0.00 60.65 58.17 1sb3 h LYS 222 Cb 0.27 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 1sb3 h LYS 222 CO 0.00 0.91 0.01 0.28 -1.08 0.00 0.00 179.45 179.57 1sb3 h VAL 223 N 0.43 1.25 -0.17 0.50 2.07 -0.89 0.25 116.25 119.69 1sb3 h VAL 223 Ca 0.02 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1sb3 h VAL 223 Cb 1.01 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1sb3 h VAL 223 CO 0.09 0.29 0.11 0.00 0.02 0.00 0.00 177.57 178.08 1sb3 h ALA 224 N 0.84 0.21 -0.17 1.67 0.00 -1.33 -0.81 119.26 119.68 1sb3 h ALA 224 Ca 0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1sb3 h ALA 224 Cb 0.42 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1sb3 h ALA 224 CO 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 179.25 178.97 1sb3 h ALA 225 N 1.04 0.23 -0.10 0.00 0.00 -1.04 -0.64 119.26 118.75 1sb3 h ALA 225 Ca 0.06 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1sb3 h ALA 225 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1sb3 h ALA 225 CO -0.01 -0.06 -0.38 0.00 0.00 0.00 0.00 179.25 178.80 1sb3 n LEU 227 N -4.06 2.14 -3.69 0.00 4.77 -0.31 -4.55 117.00 111.29 1sb3 n LEU 227 Ca -0.01 -0.71 -0.24 0.00 -0.03 0.00 0.00 56.01 55.01 1sb3 n LEU 227 Cb 0.45 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.56 1sb3 n LEU 227 CO 0.41 0.36 -0.09 0.00 -1.33 0.00 0.00 177.39 176.75 1sb3 n GLN 228 N 0.59 -3.41 -4.85 3.23 6.02 -0.47 -4.97 117.38 113.52 1sb3 n GLN 228 Ca 0.15 0.56 -0.26 0.00 -0.01 0.00 0.00 57.00 57.44 1sb3 n GLN 228 Cb 0.47 -4.85 -0.16 0.00 1.02 0.00 0.00 30.24 26.72 1sb3 n GLN 228 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1sb3 s MET 229 N -5.92 1.87 0.28 -1.09 1.75 -0.37 -5.04 119.30 110.77 1sb3 s MET 229 Ca 0.17 -0.62 -0.30 0.00 -1.25 0.00 0.00 55.69 53.69 1sb3 s MET 229 Cb -0.05 -1.60 -0.13 0.00 2.84 0.00 0.00 34.83 35.89 1sb3 s MET 229 CO 0.83 0.23 1.45 -3.47 -0.65 0.00 0.00 175.02 173.41 1sb3 n ASP 230 N 3.22 3.14 0.25 1.11 2.03 -1.26 -4.48 116.55 120.56 1sb3 n ASP 230 Ca -0.19 1.16 0.15 0.00 0.52 0.00 0.00 54.79 56.43 1sb3 n ASP 230 Cb 0.53 -1.49 0.86 0.00 -0.72 0.00 0.00 41.12 40.29 1sb3 n ASP 230 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1sb3 h SER 231 N 4.12 0.00 0.22 1.67 4.64 -1.92 -0.75 113.55 121.53 1sb3 h SER 231 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1sb3 h SER 231 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1sb3 h SER 231 CO 0.75 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.71 1sb3 n ALA 232 N -2.35 2.15 0.25 5.18 0.00 -1.26 -2.07 120.51 122.41 1sb3 n ALA 232 Ca -0.01 -0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.41 1sb3 n ALA 232 Cb 0.18 -1.33 0.15 0.00 0.00 0.00 0.00 19.45 18.45 1sb3 n ALA 232 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sb3 n ARG 233 N -1.16 2.07 -5.16 0.00 1.74 -0.29 -4.95 116.66 108.91 1sb3 n ARG 233 Ca 0.12 -1.92 -0.30 0.00 -0.77 0.00 0.00 57.85 54.98 1sb3 n ARG 233 Cb 0.12 -1.37 -0.16 0.00 -1.02 0.00 0.00 32.46 30.03 1sb3 n ARG 233 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1sb3 s ILE 234 N -1.23 1.89 -0.10 0.55 1.01 -0.88 -0.34 121.20 122.10 1sb3 s ILE 234 Ca 0.28 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.96 1sb3 s ILE 234 Cb 0.17 -1.60 0.01 0.00 0.01 0.00 0.00 42.46 41.05 1sb3 s ILE 234 CO 0.23 0.53 -0.14 -0.60 0.00 0.00 0.00 174.94 174.96 1sb3 s ARG 235 N -0.18 2.05 -0.12 2.79 3.52 -0.04 -4.97 118.95 122.01 1sb3 s ARG 235 Ca -0.02 -0.50 0.01 0.00 -0.13 0.00 0.00 55.73 55.09 1sb3 s ARG 235 Cb -0.13 -1.76 -0.01 0.00 -1.56 0.00 0.00 34.95 31.49 1sb3 s ARG 235 CO 0.03 -0.06 -0.15 0.08 -0.81 0.00 0.00 175.30 174.39 1sb3 s VAL 236 N 0.97 2.88 -0.06 7.11 1.01 -1.26 -0.46 120.40 130.59 1sb3 s VAL 236 Ca -0.07 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.20 1sb3 s VAL 236 Cb -0.15 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.06 1sb3 s VAL 236 CO -0.01 0.54 -0.12 -0.63 0.00 0.00 0.00 175.10 174.88 1sb3 s ILE 237 N 0.24 1.10 -0.35 2.22 1.01 0.95 -1.43 121.20 124.94 1sb3 s ILE 237 Ca -0.10 -0.48 -0.11 0.00 0.00 0.00 0.00 60.65 59.96 1sb3 s ILE 237 Cb -0.16 -0.99 0.01 0.00 0.01 0.00 0.00 42.46 41.33 1sb3 s ILE 237 CO 0.06 0.34 0.21 -0.75 0.00 0.00 0.00 174.94 174.79 1sb3 s LYS 238 N 0.52 3.12 0.00 2.79 2.20 -0.58 -2.71 119.74 125.08 1sb3 s LYS 238 Ca -0.11 -0.88 0.00 0.00 -0.36 0.00 0.00 55.97 54.62 1sb3 s LYS 238 Cb -0.14 -3.72 0.00 0.00 -1.51 0.00 0.00 37.83 32.46 1sb3 s LYS 238 CO 0.03 -0.57 0.00 -0.35 -0.36 0.00 0.00 175.35 174.10 1sb3 n PRO 239 N 5.03 2.89 -2.04 4.03 -0.04 -1.26 -4.84 135.00 138.77 1sb3 n PRO 239 Ca -0.12 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.96 1sb3 n PRO 239 Cb 0.48 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.95 1sb3 n PRO 239 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1sb3 s PHE 240 N 0.15 2.61 -0.09 0.54 0.08 -0.92 -4.94 117.98 115.40 1sb3 s PHE 240 Ca 0.00 1.46 0.03 0.00 0.12 0.00 0.00 56.93 58.53 1sb3 s PHE 240 Cb 0.00 -3.58 0.01 0.00 -0.57 0.00 0.00 43.02 38.88 1sb3 s PHE 240 CO 0.00 -2.16 -0.17 -1.17 -0.10 0.00 0.00 175.22 171.63 1sb3 s LEU 241 N -3.22 1.80 -0.52 -0.37 2.96 -1.26 -3.91 118.68 114.16 1sb3 s LEU 241 Ca 0.67 -0.42 -0.06 0.00 -0.22 0.00 0.00 54.13 54.10 1sb3 s LEU 241 Cb -0.34 -1.09 -0.10 0.00 0.50 0.00 0.00 46.19 45.15 1sb3 s LEU 241 CO 0.41 0.06 3.15 0.61 -1.32 0.00 0.00 176.35 179.26 1sb3 n GLY 242 N 3.89 3.82 1.32 7.98 0.00 -1.26 -4.49 105.19 116.44 1sb3 n GLY 242 Ca -0.20 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1sb3 n GLY 242 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sb3 n GLY 243 N 2.11 -2.38 0.47 -0.02 0.00 -1.21 -3.43 105.19 100.73 1sb3 n GLY 243 Ca 0.52 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1sb3 n GLY 243 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sb3 n GLY 244 N -0.72 -0.14 2.28 -0.02 0.00 -1.26 -4.94 105.19 100.38 1sb3 n GLY 244 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1sb3 n GLY 244 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sb3 n PHE 245 N -1.75 -0.69 0.00 1.61 3.72 -1.26 -1.73 117.46 117.36 1sb3 n PHE 245 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1sb3 n PHE 245 Cb 0.00 -2.96 0.00 0.00 -0.94 0.00 0.00 39.48 35.58 1sb3 n PHE 245 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sb3 n GLY 246 N -0.53 1.18 0.38 1.37 0.00 -1.26 -1.17 105.19 105.15 1sb3 n GLY 246 Ca -0.16 -0.20 0.15 0.00 0.00 0.00 0.00 46.02 45.80 1sb3 n GLY 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sb3 h ALA 247 N 0.00 1.88 -0.69 4.61 0.00 -1.37 -2.18 119.26 121.51 1sb3 h ALA 247 Ca 0.00 0.04 -0.38 0.00 0.00 0.00 0.00 54.91 54.57 1sb3 h ALA 247 Cb 0.00 -0.08 -0.22 0.00 0.00 0.00 0.00 17.79 17.49 1sb3 h ALA 247 CO 0.00 -0.20 0.27 0.54 0.00 0.00 0.00 179.25 179.86 1sb3 n ARG 248 N -4.63 2.16 -0.96 0.00 1.74 -1.26 -4.51 116.66 109.20 1sb3 n ARG 248 Ca 0.21 -3.18 -0.01 0.00 -0.77 0.00 0.00 57.85 54.10 1sb3 n ARG 248 Cb 0.59 -2.03 0.34 0.00 -1.02 0.00 0.00 32.46 30.34 1sb3 n ARG 248 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1sb3 n THR 249 N -1.10 2.81 -3.82 0.55 -2.24 -0.82 -0.80 114.28 108.85 1sb3 n THR 249 Ca 0.47 -1.49 -0.12 0.00 -2.27 0.00 0.00 64.05 60.64 1sb3 n THR 249 Cb 1.26 -0.34 -0.10 0.00 -2.10 0.00 0.00 70.33 69.06 1sb3 n THR 249 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1sb3 s GLU 250 N -2.84 0.53 0.12 -0.78 -1.05 -1.26 -4.90 118.70 108.51 1sb3 s GLU 250 Ca 0.54 -0.26 -0.31 0.00 -0.15 0.00 0.00 54.97 54.78 1sb3 s GLU 250 Cb 0.42 0.23 -0.08 0.00 -0.44 0.00 0.00 34.13 34.26 1sb3 s GLU 250 CO 0.14 -0.13 1.43 0.00 0.95 0.00 0.00 175.26 177.65 1sb3 s ALA 251 N -1.23 3.63 0.06 -0.84 0.00 -1.26 -4.94 121.76 117.19 1sb3 s ALA 251 Ca -0.13 1.17 -0.01 0.00 0.00 0.00 0.00 51.96 52.99 1sb3 s ALA 251 Cb -0.06 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 1sb3 s ALA 251 CO 0.02 -0.67 0.23 -0.51 0.00 0.00 0.00 175.76 174.83 1sb3 s LEU 252 N 1.18 4.35 0.27 0.00 1.43 -1.26 -4.94 118.68 119.71 1sb3 s LEU 252 Ca 0.66 0.32 0.01 0.00 -1.03 0.00 0.00 54.13 54.08 1sb3 s LEU 252 Cb -0.38 -2.95 0.59 0.00 0.03 0.00 0.00 46.19 43.47 1sb3 s LEU 252 CO 0.30 0.17 1.77 1.12 0.23 0.00 0.00 176.35 179.94 1sb3 h HIS 253 N 3.15 0.86 0.00 0.29 2.07 -1.94 -1.59 115.15 117.99 1sb3 h HIS 253 Ca -0.46 0.03 -0.02 0.00 -2.85 0.00 0.00 60.37 57.08 1sb3 h HIS 253 Cb 1.16 -0.25 -0.00 0.00 2.57 0.00 0.00 27.41 30.90 1sb3 h HIS 253 CO 0.62 0.20 -0.10 0.27 -3.07 0.00 0.00 177.93 175.85 1sb3 h PHE 254 N 0.67 0.00 -0.14 6.12 -0.00 -1.96 0.17 116.94 121.81 1sb3 h PHE 254 Ca 0.50 0.00 -0.13 0.00 -0.00 0.00 0.00 57.97 58.34 1sb3 h PHE 254 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.67 1sb3 h PHE 254 CO -0.07 0.10 -0.40 0.93 -0.00 0.00 0.00 178.31 178.88 1sb3 h GLU 255 N 0.00 0.52 -0.31 6.09 5.08 -1.67 -0.41 114.58 123.87 1sb3 h GLU 255 Ca -0.00 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 57.93 1sb3 h GLU 255 Cb 0.28 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1sb3 h GLU 255 CO 0.01 0.99 -0.03 0.82 -1.00 0.00 0.00 179.01 179.80 1sb3 h ILE 256 N 0.14 1.27 -0.99 3.13 2.04 -1.34 -2.53 117.51 119.23 1sb3 h ILE 256 Ca -0.01 -1.02 0.01 0.00 1.00 0.00 0.00 64.86 64.84 1sb3 h ILE 256 Cb 1.02 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 38.35 1sb3 h ILE 256 CO 0.09 0.33 0.66 0.40 0.00 0.00 0.00 178.15 179.62 1sb3 h ILE 257 N 0.36 1.25 -0.27 -0.67 2.04 -0.65 -0.28 117.51 119.28 1sb3 h ILE 257 Ca 0.09 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.50 1sb3 h ILE 257 Cb 0.49 -0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 1sb3 h ILE 257 CO 0.02 0.24 0.15 0.00 0.00 0.00 0.00 178.15 178.57 1sb3 h ALA 258 N 1.39 0.33 -0.64 1.87 0.00 -0.86 0.13 119.26 121.47 1sb3 h ALA 258 Ca 0.37 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 1sb3 h ALA 258 Cb -0.14 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1sb3 h ALA 258 CO -0.08 -0.23 0.20 0.78 0.00 0.00 0.00 179.25 179.92 1sb3 h GLY 259 N 0.31 1.04 0.97 0.00 0.00 -1.00 -0.22 103.07 104.17 1sb3 h GLY 259 Ca 0.11 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 1sb3 h GLY 259 CO -0.06 0.55 0.11 -2.00 0.00 0.00 0.00 176.54 175.14 1sb3 h LEU 260 N 0.94 0.21 -0.53 3.11 5.85 -0.36 -1.69 115.31 122.84 1sb3 h LEU 260 Ca 0.21 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 1sb3 h LEU 260 Cb 0.26 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1sb3 h LEU 260 CO -0.01 0.20 0.16 -0.07 -0.34 0.00 0.00 178.44 178.38 1sb3 h LEU 261 N 0.21 0.78 -0.33 2.25 3.38 -0.55 -1.17 115.31 119.88 1sb3 h LEU 261 Ca 0.06 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.84 1sb3 h LEU 261 Cb 0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1sb3 h LEU 261 CO -0.01 0.79 0.18 0.00 0.09 0.00 0.00 178.44 179.49 1sb3 h ALA 262 N 1.02 0.41 -0.30 1.53 0.00 -0.88 0.15 119.26 121.19 1sb3 h ALA 262 Ca 0.17 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1sb3 h ALA 262 Cb 0.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1sb3 h ALA 262 CO -0.00 -0.18 0.15 -0.09 0.00 0.00 0.00 179.25 179.13 1sb3 h ARG 263 N 0.38 0.44 -0.83 0.00 2.43 -1.15 0.25 114.38 115.89 1sb3 h ARG 263 Ca 0.13 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1sb3 h ARG 263 Cb 0.02 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 1sb3 h ARG 263 CO -0.07 0.41 0.50 -0.22 -1.51 0.00 0.00 179.97 179.07 1sb3 h LYS 264 N 0.36 1.14 0.00 0.20 1.63 -0.89 -1.38 116.57 117.63 1sb3 h LYS 264 Ca 0.10 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1sb3 h LYS 264 Cb 0.11 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.51 1sb3 h LYS 264 CO -0.01 0.80 0.00 0.00 -3.45 0.00 0.00 179.45 176.79 1sb3 n ALA 265 N -2.36 2.31 -3.46 5.00 0.00 0.49 -4.91 120.51 117.58 1sb3 n ALA 265 Ca 0.08 -0.08 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1sb3 n ALA 265 Cb 0.06 -1.47 0.07 0.00 0.00 0.00 0.00 19.45 18.11 1sb3 n ALA 265 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1sb3 n LYS 266 N -1.65 -7.21 0.00 0.00 5.02 0.76 -4.90 118.16 110.19 1sb3 n LYS 266 Ca 0.07 0.82 0.00 0.00 -2.02 0.00 0.00 58.31 57.18 1sb3 n LYS 266 Cb 0.36 -5.78 0.00 0.00 -0.02 0.00 0.00 35.03 29.58 1sb3 n LYS 266 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sb3 n GLY 267 N -1.89 3.58 3.49 0.72 0.00 -0.42 -4.59 105.19 106.09 1sb3 n GLY 267 Ca -0.01 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 1sb3 n GLY 267 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sb3 s THR 268 N -0.43 3.50 -0.05 2.61 2.01 -1.26 -0.99 115.64 121.02 1sb3 s THR 268 Ca 0.00 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.50 1sb3 s THR 268 Cb 0.00 -2.46 0.01 0.00 0.01 0.00 0.00 72.50 70.06 1sb3 s THR 268 CO 0.00 0.55 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.69 1sb3 s VAL 269 N -0.15 0.94 -0.33 3.82 1.01 0.79 -0.58 120.40 125.91 1sb3 s VAL 269 Ca 0.01 -0.38 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 1sb3 s VAL 269 Cb -0.13 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.40 1sb3 s VAL 269 CO 0.03 0.31 0.11 -0.60 0.00 0.00 0.00 175.10 174.95 1sb3 s ARG 270 N 0.62 2.86 -0.47 2.72 3.52 0.06 -0.06 118.95 128.19 1sb3 s ARG 270 Ca -0.12 -1.02 -0.09 0.00 -0.13 0.00 0.00 55.73 54.37 1sb3 s ARG 270 Cb -0.14 -3.47 0.12 0.00 -1.56 0.00 0.00 34.95 29.90 1sb3 s ARG 270 CO 0.02 -0.58 0.35 -1.17 -0.81 0.00 0.00 175.30 173.11 1sb3 s LEU 271 N 1.47 5.70 0.35 -0.88 2.96 0.06 -1.62 118.68 126.73 1sb3 s LEU 271 Ca 0.01 -1.92 -0.03 0.00 -0.22 0.00 0.00 54.13 51.97 1sb3 s LEU 271 Cb -0.18 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 1sb3 s LEU 271 CO 0.03 -0.69 0.61 -0.76 -1.32 0.00 0.00 176.35 174.21 1sb3 s LEU 272 N 1.36 3.95 0.06 -0.68 1.43 -1.26 -1.59 118.68 121.94 1sb3 s LEU 272 Ca 0.06 0.68 0.07 0.00 -1.03 0.00 0.00 54.13 53.90 1sb3 s LEU 272 Cb -0.26 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.39 1sb3 s LEU 272 CO -0.01 -0.31 -0.19 -1.10 0.23 0.00 0.00 176.35 174.97 1sb3 s GLN 273 N -4.07 1.21 0.86 1.70 -1.52 -0.51 -4.94 119.66 112.38 1sb3 s GLN 273 Ca 0.43 -0.96 -0.12 0.00 -1.95 0.00 0.00 55.36 52.76 1sb3 s GLN 273 Cb -0.10 -1.34 0.15 0.00 -0.22 0.00 0.00 33.01 31.50 1sb3 s GLN 273 CO 0.35 0.33 1.21 0.95 -0.25 0.00 0.00 175.29 177.88 1sb3 s THR 274 N -0.92 2.06 0.22 -0.19 -4.23 -1.26 -4.46 115.64 106.85 1sb3 s THR 274 Ca 0.06 -0.12 -0.04 0.00 -1.18 0.00 0.00 61.69 60.40 1sb3 s THR 274 Cb -0.09 -2.94 0.05 0.00 1.34 0.00 0.00 72.50 70.87 1sb3 s THR 274 CO 0.02 0.00 1.66 -0.09 -0.54 0.00 0.00 174.62 175.67 1sb3 h ARG 275 N -1.23 0.81 -0.44 3.99 9.65 -1.98 -1.33 114.38 123.85 1sb3 h ARG 275 Ca -0.44 -0.29 -0.00 0.00 -1.10 0.00 0.00 59.98 58.15 1sb3 h ARG 275 Cb 1.27 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.77 1sb3 h ARG 275 CO 0.47 0.91 0.27 1.49 2.80 0.00 0.00 179.97 185.91 1sb3 h GLU 276 N 0.72 0.59 0.00 0.20 4.81 -1.94 -0.97 114.58 117.98 1sb3 h GLU 276 Ca 0.11 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1sb3 h GLU 276 Cb 0.66 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1sb3 h GLU 276 CO 0.05 0.42 -0.18 0.93 -0.73 0.00 0.00 179.01 179.50 1sb3 h GLU 277 N 0.58 0.00 -0.31 1.92 5.08 -1.85 -0.92 114.58 119.08 1sb3 h GLU 277 Ca 0.16 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.34 1sb3 h GLU 277 Cb -0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1sb3 h GLU 277 CO -0.03 0.18 -0.49 1.15 -1.00 0.00 0.00 179.01 178.82 1sb3 h THR 278 N 0.00 1.28 -0.46 1.13 2.02 -0.65 -0.95 112.91 115.27 1sb3 h THR 278 Ca -0.00 -1.68 -0.05 0.00 0.77 0.00 0.00 66.41 65.45 1sb3 h THR 278 Cb 0.36 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 1sb3 h THR 278 CO 0.02 0.55 0.08 -0.26 0.37 0.00 0.00 175.52 176.28 1sb3 h PHE 279 N 0.68 0.74 -0.52 3.16 -1.00 -0.41 -2.44 116.94 117.15 1sb3 h PHE 279 Ca 0.03 -0.07 -0.10 0.00 2.81 0.00 0.00 57.97 60.64 1sb3 h PHE 279 Cb 1.09 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 40.42 1sb3 h PHE 279 CO 0.07 0.65 -0.08 0.82 -1.61 0.00 0.00 178.31 178.15 1sb3 h ILE 280 N 0.69 1.26 -0.84 -0.55 2.04 -0.86 -2.42 117.51 116.83 1sb3 h ILE 280 Ca 0.15 -1.20 0.04 0.00 1.00 0.00 0.00 64.86 64.84 1sb3 h ILE 280 Cb 0.31 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.29 1sb3 h ILE 280 CO 0.00 0.42 0.54 0.00 0.00 0.00 0.00 178.15 179.11 1sb3 h ALA 281 N 1.05 1.11 -0.48 1.87 0.00 -0.86 -3.44 119.26 118.52 1sb3 h ALA 281 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1sb3 h ALA 281 Cb 0.61 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1sb3 h ALA 281 CO 0.04 0.36 0.00 1.58 0.00 0.00 0.00 179.25 181.23 1sb3 n HIS 282 N -4.57 0.00 -2.20 0.00 -0.00 -0.91 -4.69 115.22 102.86 1sb3 n HIS 282 Ca 0.10 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.74 1sb3 n HIS 282 Cb 0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.09 1sb3 n HIS 282 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1sb3 n ARG 283 N 2.99 -0.79 -0.15 1.57 5.12 -0.08 -4.75 116.66 120.57 1sb3 n ARG 283 Ca 0.00 0.40 0.00 0.00 -1.93 0.00 0.00 57.85 56.32 1sb3 n ARG 283 Cb 0.00 -4.33 0.00 0.00 -1.16 0.00 0.00 32.46 26.97 1sb3 n ARG 283 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1sb3 n GLY 284 N -1.01 0.15 3.68 -0.13 0.00 -1.26 -1.80 105.19 104.83 1sb3 n GLY 284 Ca -0.09 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 1sb3 n GLY 284 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sb3 s ARG 285 N -0.36 4.37 0.58 1.61 3.52 -0.95 -0.49 118.95 127.22 1sb3 s ARG 285 Ca 0.00 1.49 -0.18 0.00 -0.13 0.00 0.00 55.73 56.90 1sb3 s ARG 285 Cb 0.00 -3.57 -0.04 0.00 -1.56 0.00 0.00 34.95 29.77 1sb3 s ARG 285 CO 0.00 -0.42 1.14 -1.25 -0.81 0.00 0.00 175.30 173.96 1sb3 s PRO 286 N 2.33 3.17 0.28 5.12 0.04 -1.26 -1.92 135.00 142.76 1sb3 s PRO 286 Ca 0.50 1.60 -0.30 0.00 0.04 0.00 0.00 61.00 62.84 1sb3 s PRO 286 Cb -0.20 -1.98 -0.12 0.00 0.04 0.00 0.00 34.50 32.24 1sb3 s PRO 286 CO 0.17 -0.99 1.49 1.87 0.04 0.00 0.00 177.00 179.59 1sb3 n TRP 287 N -1.58 2.57 -3.86 0.56 -0.00 -1.25 -4.48 117.44 109.39 1sb3 n TRP 287 Ca 0.12 0.36 -0.15 0.00 -0.00 0.00 0.00 57.50 57.82 1sb3 n TRP 287 Cb 0.51 -2.53 -0.16 0.00 -0.00 0.00 0.00 31.31 29.14 1sb3 n TRP 287 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 1sb3 s THR 288 N -0.20 0.05 -0.20 5.87 2.01 -0.36 -1.72 115.64 121.10 1sb3 s THR 288 Ca 0.64 0.11 -0.06 0.00 0.31 0.00 0.00 61.69 62.69 1sb3 s THR 288 Cb -0.55 -0.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.78 1sb3 s THR 288 CO 0.51 0.09 0.03 -0.70 -0.69 0.00 0.00 174.62 173.86 1sb3 s GLU 289 N 0.81 3.74 -0.14 4.92 2.12 -0.14 -0.58 118.70 129.44 1sb3 s GLU 289 Ca -0.07 -0.46 0.01 0.00 0.36 0.00 0.00 54.97 54.81 1sb3 s GLU 289 Cb -0.10 -3.14 0.02 0.00 0.26 0.00 0.00 34.13 31.17 1sb3 s GLU 289 CO -0.02 0.10 -0.16 0.08 -0.54 0.00 0.00 175.26 174.72 1sb3 s VAL 290 N 0.81 1.66 -0.27 3.70 1.01 0.17 -1.15 120.40 126.33 1sb3 s VAL 290 Ca 0.02 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.16 1sb3 s VAL 290 Cb -0.14 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 1sb3 s VAL 290 CO 0.02 0.47 0.22 -0.75 0.00 0.00 0.00 175.10 175.07 1sb3 s LYS 291 N 1.22 3.99 -0.17 2.72 2.20 0.44 -0.20 119.74 129.94 1sb3 s LYS 291 Ca -0.00 -0.23 -0.01 0.00 -0.36 0.00 0.00 55.97 55.37 1sb3 s LYS 291 Cb -0.14 -3.63 -0.01 0.00 -1.51 0.00 0.00 37.83 32.55 1sb3 s LYS 291 CO -0.07 -0.14 -0.11 1.41 -0.36 0.00 0.00 175.35 176.07 1sb3 s MET 292 N 1.66 3.30 -0.16 4.03 -2.45 0.44 -0.81 119.30 125.31 1sb3 s MET 292 Ca 0.09 -0.69 0.00 0.00 -1.25 0.00 0.00 55.69 53.84 1sb3 s MET 292 Cb -0.15 -2.75 0.03 0.00 1.25 0.00 0.00 34.83 33.21 1sb3 s MET 292 CO 0.09 -0.02 -0.09 0.21 1.05 0.00 0.00 175.02 176.26 1sb3 s LYS 293 N 0.94 1.82 -0.08 4.11 2.20 0.20 -0.66 119.74 128.28 1sb3 s LYS 293 Ca -0.02 -0.56 0.05 0.00 -0.36 0.00 0.00 55.97 55.08 1sb3 s LYS 293 Cb -0.15 -2.05 -0.00 0.00 -1.51 0.00 0.00 37.83 34.12 1sb3 s LYS 293 CO -0.01 -0.35 -0.22 0.42 -0.36 0.00 0.00 175.35 174.83 1sb3 s ILE 294 N 1.55 1.87 -0.18 5.43 1.01 -0.65 -0.86 121.20 129.37 1sb3 s ILE 294 Ca 0.02 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 59.70 1sb3 s ILE 294 Cb -0.14 -1.61 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 1sb3 s ILE 294 CO -0.09 0.52 -0.03 -0.83 0.00 0.00 0.00 174.94 174.51 1sb3 s GLY 295 N 0.18 1.68 0.23 6.18 0.00 -0.01 -2.61 107.32 112.97 1sb3 s GLY 295 Ca -0.12 -0.96 0.09 0.00 0.00 0.00 0.00 44.72 43.73 1sb3 s GLY 295 CO 0.06 0.14 -0.15 1.08 0.00 0.00 0.00 173.10 174.22 1sb3 s LEU 296 N 0.83 2.56 0.47 0.66 1.43 -0.03 0.48 118.68 125.08 1sb3 s LEU 296 Ca -0.01 -1.04 -0.00 0.00 -1.03 0.00 0.00 54.13 52.05 1sb3 s LEU 296 Cb -0.14 -0.78 -0.00 0.00 0.03 0.00 0.00 46.19 45.29 1sb3 s LEU 296 CO 0.02 -0.13 0.70 -0.54 0.23 0.00 0.00 176.35 176.63 1sb3 s LYS 297 N -3.62 3.04 0.54 1.70 -0.14 0.12 -0.15 119.74 121.23 1sb3 s LYS 297 Ca 0.25 -0.43 0.20 0.00 -1.36 0.00 0.00 55.97 54.63 1sb3 s LYS 297 Cb -0.01 -2.52 1.42 0.00 -1.68 0.00 0.00 37.83 35.03 1sb3 s LYS 297 CO 0.09 -0.33 2.18 0.87 -0.76 0.00 0.00 175.35 177.40 1sb3 h LYS 298 N 0.32 0.00 -0.00 1.68 1.57 -1.91 -1.08 116.57 117.14 1sb3 h LYS 298 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1sb3 h LYS 298 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1sb3 h LYS 298 CO 0.58 0.00 -0.03 -0.40 -0.57 0.00 0.00 179.45 179.03 1sb3 n ASP 299 N -4.35 0.13 0.00 0.86 5.68 -1.26 -4.91 116.55 112.70 1sb3 n ASP 299 Ca -0.03 -0.44 0.00 0.00 -0.50 0.00 0.00 54.79 53.82 1sb3 n ASP 299 Cb 0.10 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 39.90 1sb3 n ASP 299 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sb3 n GLY 300 N 1.22 2.07 3.77 6.12 0.00 -0.41 -5.06 105.19 112.90 1sb3 n GLY 300 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1sb3 n GLY 300 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sb3 s LYS 301 N -0.80 3.85 0.14 1.61 -0.14 -1.26 -4.68 119.74 118.46 1sb3 s LYS 301 Ca 0.00 2.41 -0.30 0.00 -1.36 0.00 0.00 55.97 56.72 1sb3 s LYS 301 Cb 0.00 -2.76 -0.07 0.00 -1.68 0.00 0.00 37.83 33.32 1sb3 s LYS 301 CO 0.00 -0.68 0.94 0.42 -0.76 0.00 0.00 175.35 175.28 1sb3 s ILE 302 N -1.19 4.41 -0.13 2.17 1.01 -1.26 -0.70 121.20 125.51 1sb3 s ILE 302 Ca 0.58 2.05 0.03 0.00 0.00 0.00 0.00 60.65 63.31 1sb3 s ILE 302 Cb -0.43 -4.31 -0.10 0.00 0.01 0.00 0.00 42.46 37.63 1sb3 s ILE 302 CO 0.57 0.36 -0.08 0.00 0.00 0.00 0.00 174.94 175.79 1sb3 n ALA 303 N 2.47 1.72 -3.50 9.38 0.00 0.18 -4.47 120.51 126.28 1sb3 n ALA 303 Ca 0.01 -0.61 -0.11 0.00 0.00 0.00 0.00 53.44 52.74 1sb3 n ALA 303 Cb 0.49 0.15 -0.02 0.00 0.00 0.00 0.00 19.45 20.06 1sb3 n ALA 303 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sb3 s ALA 304 N -2.27 -1.45 -0.11 0.00 0.00 -0.91 -3.84 121.76 113.18 1sb3 s ALA 304 Ca -0.15 0.25 -0.07 0.00 0.00 0.00 0.00 51.96 51.99 1sb3 s ALA 304 Cb 0.04 0.87 0.04 0.00 0.00 0.00 0.00 23.12 24.08 1sb3 s ALA 304 CO 0.34 -0.83 0.27 -1.17 0.00 0.00 0.00 175.76 174.38 1sb3 s LEU 305 N -2.80 0.53 -0.04 0.00 2.96 -0.66 -0.83 118.68 117.84 1sb3 s LEU 305 Ca 0.04 0.58 -0.00 0.00 -0.22 0.00 0.00 54.13 54.52 1sb3 s LEU 305 Cb -0.02 0.88 0.03 0.00 0.50 0.00 0.00 46.19 47.57 1sb3 s LEU 305 CO -0.08 -0.15 0.01 0.00 -1.32 0.00 0.00 176.35 174.81 1sb3 s ALA 306 N 0.91 0.41 0.04 5.97 0.00 -0.04 -0.18 121.76 128.87 1sb3 s ALA 306 Ca -0.06 0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.00 1sb3 s ALA 306 Cb -0.07 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 1sb3 s ALA 306 CO -0.06 -0.23 -0.06 -0.48 0.00 0.00 0.00 175.76 174.93 1sb3 s LEU 307 N 1.42 2.28 -0.02 0.00 2.34 -0.42 -0.63 118.68 123.66 1sb3 s LEU 307 Ca -0.04 -0.59 0.05 0.00 0.06 0.00 0.00 54.13 53.61 1sb3 s LEU 307 Cb -0.13 -0.03 -0.01 0.00 -0.56 0.00 0.00 46.19 45.46 1sb3 s LEU 307 CO -0.03 -0.28 -0.17 -1.61 -1.06 0.00 0.00 176.35 173.21 1sb3 s GLU 308 N -1.81 1.45 -0.04 1.48 2.02 0.01 -1.56 118.70 120.25 1sb3 s GLU 308 Ca -0.10 -0.59 -0.01 0.00 0.02 0.00 0.00 54.97 54.29 1sb3 s GLU 308 Cb -0.08 -1.36 0.03 0.00 0.10 0.00 0.00 34.13 32.82 1sb3 s GLU 308 CO -0.01 0.32 0.02 0.00 0.02 0.00 0.00 175.26 175.62 1sb3 s ALA 309 N -0.26 0.28 -0.10 5.21 0.00 -0.47 -0.42 121.76 126.01 1sb3 s ALA 309 Ca 0.04 0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.20 1sb3 s ALA 309 Cb -0.08 -0.44 -0.00 0.00 0.00 0.00 0.00 23.12 22.60 1sb3 s ALA 309 CO 0.00 -0.25 -0.23 0.99 0.00 0.00 0.00 175.76 176.27 1sb3 s THR 310 N 1.48 2.12 -0.05 0.00 2.01 -0.30 -0.96 115.64 119.93 1sb3 s THR 310 Ca -0.04 -1.00 0.06 0.00 0.31 0.00 0.00 61.69 61.02 1sb3 s THR 310 Cb -0.13 -1.81 -0.01 0.00 0.01 0.00 0.00 72.50 70.56 1sb3 s THR 310 CO -0.03 0.56 -0.23 -1.10 -0.69 0.00 0.00 174.62 173.13 1sb3 s GLN 311 N 0.30 2.51 -0.48 4.92 -0.21 -0.45 -0.96 119.66 125.28 1sb3 s GLN 311 Ca -0.17 -0.88 -0.22 0.00 0.02 0.00 0.00 55.36 54.11 1sb3 s GLN 311 Cb -0.18 -2.19 0.04 0.00 1.00 0.00 0.00 33.01 31.68 1sb3 s GLN 311 CO 0.08 0.43 0.75 0.00 -2.12 0.00 0.00 175.29 174.44 1sb3 s ALA 312 N -0.28 3.29 -2.42 6.09 0.00 -0.70 -1.36 121.76 126.38 1sb3 s ALA 312 Ca 0.00 -1.27 0.23 0.00 0.00 0.00 0.00 51.96 50.92 1sb3 s ALA 312 Cb -0.13 -3.46 0.67 0.00 0.00 0.00 0.00 23.12 20.20 1sb3 s ALA 312 CO 0.03 -2.01 1.52 0.41 0.00 0.00 0.00 175.76 175.70 1sb3 n GLY 313 N 5.07 0.63 4.36 0.00 0.00 0.83 -3.89 105.19 112.18 1sb3 n GLY 313 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1sb3 n GLY 313 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sb3 n GLY 314 N 1.24 -2.16 0.03 -0.02 0.00 -1.26 -1.45 105.19 101.57 1sb3 n GLY 314 Ca 0.17 -1.59 0.13 0.00 0.00 0.00 0.00 46.02 44.73 1sb3 n GLY 314 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sb3 n ALA 315 N -0.12 2.72 -2.17 4.61 0.00 0.53 -1.08 120.51 125.00 1sb3 n ALA 315 Ca 0.00 -0.17 -0.10 0.00 0.00 0.00 0.00 53.44 53.16 1sb3 n ALA 315 Cb 0.00 -1.33 -0.10 0.00 0.00 0.00 0.00 19.45 18.02 1sb3 n ALA 315 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1sb3 s TYR 316 N -3.05 0.89 0.06 0.00 1.51 -1.26 -4.92 117.35 110.58 1sb3 s TYR 316 Ca 0.11 -0.95 -0.26 0.00 -1.01 0.00 0.00 57.07 54.96 1sb3 s TYR 316 Cb 0.16 -0.52 -0.12 0.00 -0.11 0.00 0.00 41.96 41.37 1sb3 s TYR 316 CO 0.62 -0.19 1.41 0.00 -1.11 0.00 0.00 175.55 176.28 1sb3 h ALA 317 N 2.95 -1.02 -0.54 3.71 0.00 -1.91 -3.44 119.26 119.01 1sb3 h ALA 317 Ca -0.35 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1sb3 h ALA 317 Cb 1.17 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1sb3 h ALA 317 CO 0.64 -1.05 0.00 0.41 0.00 0.00 0.00 179.25 179.25 1sb3 n GLY 318 N -1.40 2.73 0.01 0.00 0.00 -1.26 -0.99 105.19 104.28 1sb3 n GLY 318 Ca -0.08 -0.16 0.16 0.00 0.00 0.00 0.00 46.02 45.93 1sb3 n GLY 318 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sb3 n TYR 319 N 14.00 0.00 -0.35 1.61 4.02 -1.26 -4.40 117.16 130.78 1sb3 n TYR 319 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.90 1sb3 n TYR 319 Cb 0.00 -0.04 0.07 0.00 -0.02 0.00 0.00 39.34 39.34 1sb3 n TYR 319 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1sb3 n GLY 320 N 1.05 -1.79 0.17 2.72 0.00 -0.16 -0.56 105.19 106.62 1sb3 n GLY 320 Ca 0.22 1.02 -0.06 0.00 0.00 0.00 0.00 46.02 47.20 1sb3 n GLY 320 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1sb3 h ILE 321 N 0.00 0.97 -0.36 -0.61 2.04 -1.80 0.15 117.51 117.90 1sb3 h ILE 321 Ca 0.36 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 66.03 1sb3 h ILE 321 Cb 0.59 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1sb3 h ILE 321 CO -0.93 0.08 0.05 0.40 0.00 0.00 0.00 178.15 177.75 1sb3 h ILE 322 N 0.41 1.24 -0.54 -0.67 2.04 -1.26 -2.66 117.51 116.07 1sb3 h ILE 322 Ca 0.18 -0.86 0.05 0.00 1.00 0.00 0.00 64.86 65.22 1sb3 h ILE 322 Cb 0.08 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 1sb3 h ILE 322 CO -0.12 0.29 0.27 0.74 0.00 0.00 0.00 178.15 179.32 1sb3 h THR 323 N 0.44 0.93 -0.23 -0.27 2.02 -0.25 -0.88 112.91 114.68 1sb3 h THR 323 Ca 0.11 -0.18 -0.09 0.00 0.77 0.00 0.00 66.41 67.02 1sb3 h THR 323 Cb 0.37 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1sb3 h THR 323 CO 0.01 0.09 -0.27 -0.29 0.37 0.00 0.00 175.52 175.44 1sb3 h ILE 324 N 0.51 1.27 -0.56 3.11 6.09 -0.94 -2.07 117.51 124.92 1sb3 h ILE 324 Ca 0.24 -1.27 -0.07 0.00 -1.37 0.00 0.00 64.86 62.39 1sb3 h ILE 324 Cb 0.17 1.38 -0.02 0.00 0.47 0.00 0.00 36.82 38.82 1sb3 h ILE 324 CO -0.18 0.40 0.07 -0.07 -3.07 0.00 0.00 178.15 175.30 1sb3 h LEU 325 N 0.39 0.85 -2.00 2.19 3.38 -1.03 -2.64 115.31 116.45 1sb3 h LEU 325 Ca 0.06 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1sb3 h LEU 325 Cb 0.67 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1sb3 h LEU 325 CO 0.05 0.87 -0.10 1.88 0.09 0.00 0.00 178.44 181.24 1sb3 h TYR 326 N 0.85 0.00 -0.01 1.13 0.99 -0.46 -1.64 116.97 117.83 1sb3 h TYR 326 Ca 0.17 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.91 1sb3 h TYR 326 Cb 0.40 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.13 1sb3 h TYR 326 CO 0.02 0.10 0.02 1.79 -0.00 0.00 0.00 178.16 180.09 1sb3 h THR 327 N 0.00 0.36 0.00 -2.88 1.35 -1.25 -3.17 112.91 107.32 1sb3 h THR 327 Ca -0.00 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.74 1sb3 h THR 327 Cb 0.22 0.98 -0.02 0.00 -1.73 0.00 0.00 68.15 67.60 1sb3 h THR 327 CO 0.01 0.00 -1.46 0.61 -0.25 0.00 0.00 175.52 174.43 1sb3 n GLY 328 N -1.25 -0.31 0.39 5.82 0.00 -0.84 -4.72 105.19 104.28 1sb3 n GLY 328 Ca -0.03 -0.11 0.17 0.00 0.00 0.00 0.00 46.02 46.05 1sb3 n GLY 328 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sb3 h ALA 329 N 0.30 2.02 -0.78 4.61 0.00 -1.29 -0.60 119.26 123.53 1sb3 h ALA 329 Ca -0.18 0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.50 1sb3 h ALA 329 Cb 1.40 -0.05 -0.16 0.00 0.00 0.00 0.00 17.79 18.98 1sb3 h ALA 329 CO 0.01 -0.33 0.34 1.28 0.00 0.00 0.00 179.25 180.55 1sb3 n LEU 330 N -4.59 6.15 0.11 0.00 4.32 -1.24 -3.47 117.00 118.28 1sb3 n LEU 330 Ca 0.21 -3.22 0.13 0.00 -0.02 0.00 0.00 56.01 53.10 1sb3 n LEU 330 Cb 0.65 -0.76 0.30 0.00 -1.62 0.00 0.00 43.42 41.99 1sb3 n LEU 330 CO 0.28 0.84 0.71 0.24 -1.22 0.00 0.00 177.39 178.24 1sb3 h MET 331 N 2.32 0.00 -6.21 3.23 2.86 -1.38 -3.46 114.93 112.29 1sb3 h MET 331 Ca 0.33 0.00 -0.46 0.00 -2.06 0.00 0.00 59.70 57.51 1sb3 h MET 331 Cb 2.41 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 34.06 1sb3 h MET 331 CO 0.80 0.00 -0.41 -1.01 1.06 0.00 0.00 176.91 177.34 1sb3 s HIS 332 N -3.14 3.42 0.00 -0.22 3.76 -1.23 -4.65 115.29 113.24 1sb3 s HIS 332 Ca 0.09 -0.02 0.00 0.00 -0.15 0.00 0.00 55.06 54.97 1sb3 s HIS 332 Cb 0.11 -1.62 0.00 0.00 1.11 0.00 0.00 32.58 32.18 1sb3 s HIS 332 CO 0.64 0.39 0.00 0.41 -0.85 0.00 0.00 174.74 175.33 1sb3 n GLY 333 N -1.44 1.54 0.52 -2.22 0.00 -1.26 -4.87 105.19 97.46 1sb3 n GLY 333 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 1sb3 n GLY 333 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1sb3 n LEU 334 N 0.00 1.18 -4.53 0.99 7.94 -1.26 -5.01 117.00 116.31 1sb3 n LEU 334 Ca 0.00 0.20 -0.26 0.00 -1.11 0.00 0.00 56.01 54.84 1sb3 n LEU 334 Cb 0.00 -0.48 -0.10 0.00 0.53 0.00 0.00 43.42 43.38 1sb3 n LEU 334 CO 0.00 0.19 -0.44 -0.31 -1.11 0.00 0.00 177.39 175.72 1sb3 s TYR 335 N -2.32 2.51 -0.28 1.96 2.02 -1.26 -4.13 117.35 115.85 1sb3 s TYR 335 Ca -0.21 -0.27 -0.26 0.00 -0.37 0.00 0.00 57.07 55.96 1sb3 s TYR 335 Cb 0.07 -1.20 0.00 0.00 -0.40 0.00 0.00 41.96 40.43 1sb3 s TYR 335 CO 0.27 0.54 0.89 -1.58 -1.57 0.00 0.00 175.55 174.10 1sb3 s HIS 336 N -1.85 3.24 -0.17 2.71 5.65 0.21 -4.82 115.29 120.27 1sb3 s HIS 336 Ca 0.25 1.07 0.01 0.00 0.25 0.00 0.00 55.06 56.64 1sb3 s HIS 336 Cb -0.08 -3.26 0.03 0.00 -1.18 0.00 0.00 32.58 28.08 1sb3 s HIS 336 CO 0.14 -0.54 -0.14 0.42 -0.65 0.00 0.00 174.74 173.96 1sb3 s ILE 337 N 3.09 1.68 0.21 0.89 1.01 -1.26 -4.74 121.20 122.08 1sb3 s ILE 337 Ca 0.37 -0.77 -0.09 0.00 0.00 0.00 0.00 60.65 60.16 1sb3 s ILE 337 Cb -0.14 -1.60 0.15 0.00 0.01 0.00 0.00 42.46 40.88 1sb3 s ILE 337 CO 0.11 0.41 1.74 -0.65 0.00 0.00 0.00 174.94 176.55 1sb3 h PRO 338 N 8.01 0.41 -2.97 2.79 0.11 -1.78 -3.44 132.00 135.12 1sb3 h PRO 338 Ca -0.37 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.58 1sb3 h PRO 338 Cb 1.13 -0.09 -0.23 0.00 0.11 0.00 0.00 31.00 31.91 1sb3 h PRO 338 CO 0.54 0.27 -0.31 0.00 -0.21 0.00 0.00 178.00 178.29 1sb3 s ALA 339 N -6.09 -0.81 -0.02 -0.75 0.00 -1.25 -4.68 121.76 108.17 1sb3 s ALA 339 Ca -0.13 0.73 0.01 0.00 0.00 0.00 0.00 51.96 52.57 1sb3 s ALA 339 Cb 0.17 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.98 1sb3 s ALA 339 CO 0.75 -0.19 -0.01 0.42 0.00 0.00 0.00 175.76 176.73 1sb3 s ILE 340 N -0.33 0.19 -0.10 0.00 1.01 -0.02 -1.66 121.20 120.30 1sb3 s ILE 340 Ca -0.05 0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.66 1sb3 s ILE 340 Cb -0.03 -0.26 -0.02 0.00 0.01 0.00 0.00 42.46 42.16 1sb3 s ILE 340 CO 0.02 0.13 -0.12 -0.75 0.00 0.00 0.00 174.94 174.21 1sb3 s LYS 341 N 0.81 3.06 -0.07 2.79 2.20 0.75 -0.16 119.74 129.12 1sb3 s LYS 341 Ca -0.08 -0.67 -0.01 0.00 -0.36 0.00 0.00 55.97 54.85 1sb3 s LYS 341 Cb -0.11 -2.56 0.03 0.00 -1.51 0.00 0.00 37.83 33.67 1sb3 s LYS 341 CO -0.01 0.39 -0.01 -1.58 -0.36 0.00 0.00 175.35 173.78 1sb3 s HIS 342 N -0.11 0.75 -0.04 4.03 5.65 0.27 -1.30 115.29 124.55 1sb3 s HIS 342 Ca -0.01 -0.23 0.04 0.00 0.25 0.00 0.00 55.06 55.11 1sb3 s HIS 342 Cb -0.14 -0.83 0.00 0.00 -1.18 0.00 0.00 32.58 30.44 1sb3 s HIS 342 CO 0.03 -0.33 -0.14 -0.51 -0.65 0.00 0.00 174.74 173.14 1sb3 s ASP 343 N 1.84 1.85 -0.01 9.88 1.01 -0.60 -0.68 116.67 129.96 1sb3 s ASP 343 Ca 0.03 -0.30 -0.21 0.00 0.71 0.00 0.00 52.55 52.78 1sb3 s ASP 343 Cb -0.12 -0.56 0.04 0.00 1.01 0.00 0.00 42.92 43.29 1sb3 s ASP 343 CO -0.05 0.11 0.47 0.00 0.21 0.00 0.00 175.17 175.91 1sb3 s ALA 344 N 0.17 -1.20 -0.05 5.23 0.00 -0.16 -1.36 121.76 124.38 1sb3 s ALA 344 Ca -0.05 0.67 0.01 0.00 0.00 0.00 0.00 51.96 52.59 1sb3 s ALA 344 Cb -0.11 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.16 1sb3 s ALA 344 CO 0.02 -0.36 -0.07 -1.58 0.00 0.00 0.00 175.76 173.77 1sb3 s TRP 345 N -1.62 1.00 -0.35 0.00 0.51 -0.13 -0.62 118.94 117.73 1sb3 s TRP 345 Ca -0.10 -0.33 -0.08 0.00 -2.12 0.00 0.00 56.10 53.46 1sb3 s TRP 345 Cb -0.02 -0.82 0.04 0.00 -0.81 0.00 0.00 33.47 31.85 1sb3 s TRP 345 CO 0.04 -0.23 0.14 0.50 -0.51 0.00 0.00 176.95 176.89 1sb3 s ARG 346 N 0.89 2.68 -0.12 4.98 6.06 0.16 -1.34 118.95 132.27 1sb3 s ARG 346 Ca -0.11 -1.16 -0.01 0.00 -2.50 0.00 0.00 55.73 51.95 1sb3 s ARG 346 Cb -0.15 -3.56 -0.03 0.00 0.06 0.00 0.00 34.95 31.28 1sb3 s ARG 346 CO 0.01 -0.69 -0.06 0.08 -2.50 0.00 0.00 175.30 172.14 1sb3 s VAL 347 N 1.45 3.69 0.34 7.11 1.01 -0.46 -0.23 120.40 133.30 1sb3 s VAL 347 Ca -0.00 -0.45 -0.28 0.00 0.00 0.00 0.00 61.98 61.24 1sb3 s VAL 347 Cb -0.19 -2.56 -0.10 0.00 0.00 0.00 0.00 36.38 33.53 1sb3 s VAL 347 CO 0.04 0.54 1.25 -0.31 0.00 0.00 0.00 175.10 176.62 1sb3 s TYR 348 N -0.12 3.14 0.04 5.22 2.02 -0.12 -0.12 117.35 127.40 1sb3 s TYR 348 Ca 0.01 1.49 -0.01 0.00 -0.37 0.00 0.00 57.07 58.20 1sb3 s TYR 348 Cb -0.13 -3.57 -0.03 0.00 -0.40 0.00 0.00 41.96 37.83 1sb3 s TYR 348 CO 0.03 -1.55 -0.03 0.95 -1.57 0.00 0.00 175.55 173.37 1sb3 s THR 349 N -1.19 0.20 -0.97 -0.71 -4.23 -0.24 -4.80 115.64 103.70 1sb3 s THR 349 Ca 0.50 -1.57 -0.08 0.00 -1.18 0.00 0.00 61.69 59.36 1sb3 s THR 349 Cb -0.37 -1.18 -0.11 0.00 1.34 0.00 0.00 72.50 72.18 1sb3 s THR 349 CO 0.49 -0.86 3.10 0.59 -0.54 0.00 0.00 174.62 177.39 1sb3 n ASN 350 N 0.51 7.37 -4.21 3.99 4.13 0.24 -1.42 115.26 125.88 1sb3 n ASN 350 Ca -0.17 -2.66 -0.12 0.00 1.68 0.00 0.00 54.58 53.31 1sb3 n ASN 350 Cb 0.59 -1.47 -0.10 0.00 -1.54 0.00 0.00 39.78 37.27 1sb3 n ASN 350 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1sb3 s THR 351 N 1.05 0.48 0.19 3.41 -4.23 -1.26 -4.42 115.64 110.85 1sb3 s THR 351 Ca 0.66 -1.95 -0.32 0.00 -1.18 0.00 0.00 61.69 58.90 1sb3 s THR 351 Cb 0.24 -2.10 -0.16 0.00 1.34 0.00 0.00 72.50 71.83 1sb3 s THR 351 CO -0.06 -0.47 1.08 -2.65 -0.54 0.00 0.00 174.62 171.99 1sb3 n PRO 352 N -0.19 1.06 -1.71 3.99 -0.02 -1.26 -0.35 135.00 136.51 1sb3 n PRO 352 Ca -0.06 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.37 1sb3 n PRO 352 Cb 0.63 -1.81 -0.01 0.00 -0.02 0.00 0.00 33.50 32.29 1sb3 n PRO 352 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1sb3 n PRO 353 N 1.51 2.26 -2.28 0.52 -0.02 -1.26 -4.33 135.00 131.40 1sb3 n PRO 353 Ca 0.15 0.79 -0.26 0.00 -2.02 0.00 0.00 63.50 62.16 1sb3 n PRO 353 Cb 0.25 -2.42 0.10 0.00 -0.02 0.00 0.00 33.50 31.41 1sb3 n PRO 353 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sb3 n GLY 355 N -3.01 2.66 3.73 0.00 0.00 0.35 -4.50 105.19 104.43 1sb3 n GLY 355 Ca 0.11 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 1sb3 n GLY 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sb3 s ALA 356 N -1.00 3.38 -0.07 4.61 0.00 -1.03 -4.43 121.76 123.22 1sb3 s ALA 356 Ca 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 51.96 52.03 1sb3 s ALA 356 Cb 0.00 -2.89 0.03 0.00 0.00 0.00 0.00 23.12 20.26 1sb3 s ALA 356 CO 0.00 -0.02 0.16 1.41 0.00 0.00 0.00 175.76 177.31 1sb3 s MET 357 N 0.46 0.14 0.00 0.00 0.00 -1.26 -3.47 119.30 115.17 1sb3 s MET 357 Ca 0.35 0.33 0.00 0.00 0.00 0.00 0.00 55.69 56.37 1sb3 s MET 357 Cb -0.18 -0.07 0.00 0.00 0.00 0.00 0.00 34.83 34.58 1sb3 s MET 357 CO 0.18 -0.11 0.00 -2.13 0.00 0.00 0.00 175.02 172.96 1sb3 n ARG 358 N 3.76 0.00 -0.25 4.11 0.63 -0.32 -0.39 116.66 124.20 1sb3 n ARG 358 Ca -0.21 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.72 1sb3 n ARG 358 Cb 0.55 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.46 1sb3 n ARG 358 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1sb3 n GLY 359 N 0.00 0.87 0.00 5.14 0.00 -1.26 -4.92 105.19 105.01 1sb3 n GLY 359 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1sb3 n GLY 359 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1sb3 n HIS 360 N -2.25 0.00 -0.03 1.61 -0.00 0.48 -1.49 115.22 113.54 1sb3 n HIS 360 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1sb3 n HIS 360 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1sb3 n HIS 360 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1sb3 n GLY 361 N 0.00 2.10 0.17 1.57 0.00 -1.26 -4.78 105.19 102.98 1sb3 n GLY 361 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1sb3 n GLY 361 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sb3 n THR 362 N -2.00 0.00 0.04 2.61 -2.24 -0.55 -2.76 114.28 109.38 1sb3 n THR 362 Ca 0.00 -0.23 -0.13 0.00 -2.27 0.00 0.00 64.05 61.42 1sb3 n THR 362 Cb 0.00 1.09 -0.08 0.00 -2.10 0.00 0.00 70.33 69.23 1sb3 n THR 362 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1sb3 h VAL 363 N 0.81 1.11 -0.00 2.28 2.07 -1.86 -2.42 116.25 118.24 1sb3 h VAL 363 Ca 0.00 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 1sb3 h VAL 363 Cb 0.44 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1sb3 h VAL 363 CO 0.00 0.14 -0.00 0.44 0.02 0.00 0.00 177.57 178.17 1sb3 h ASP 364 N -0.34 0.00 -0.65 0.57 3.45 -1.93 -1.16 116.42 116.37 1sb3 h ASP 364 Ca -0.01 -0.33 -0.03 0.00 0.43 0.00 0.00 57.03 57.09 1sb3 h ASP 364 Cb 0.30 -0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.04 1sb3 h ASP 364 CO 0.01 0.34 0.29 0.71 -1.57 0.00 0.00 179.24 179.02 1sb3 h THR 365 N -0.33 1.23 -0.44 0.35 1.35 -1.85 -1.56 112.91 111.66 1sb3 h THR 365 Ca 0.00 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 1sb3 h THR 365 Cb 0.33 0.40 -0.02 0.00 -1.73 0.00 0.00 68.15 67.13 1sb3 h THR 365 CO 0.00 0.28 0.28 -0.09 -0.25 0.00 0.00 175.52 175.74 1sb3 h ARG 366 N 0.96 0.58 -0.49 4.72 9.65 -1.30 0.08 114.38 128.59 1sb3 h ARG 366 Ca 0.23 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.07 1sb3 h ARG 366 Cb 0.15 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.58 1sb3 h ARG 366 CO -0.02 0.40 0.31 0.00 2.80 0.00 0.00 179.97 183.46 1sb3 h ALA 367 N 1.15 0.62 -0.22 2.80 0.00 -0.80 -0.43 119.26 122.37 1sb3 h ALA 367 Ca 0.16 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1sb3 h ALA 367 Cb -0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1sb3 h ALA 367 CO -0.03 0.08 0.13 0.00 0.00 0.00 0.00 179.25 179.43 1sb3 h ALA 368 N 1.16 0.28 -0.33 0.00 0.00 -0.98 -0.62 119.26 118.76 1sb3 h ALA 368 Ca 0.18 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1sb3 h ALA 368 Cb -0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1sb3 h ALA 368 CO -0.04 -0.22 0.20 0.35 0.00 0.00 0.00 179.25 179.55 1sb3 h PHE 369 N 0.27 0.43 -0.76 0.00 3.57 -0.70 -1.99 116.94 117.77 1sb3 h PHE 369 Ca 0.08 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 1sb3 h PHE 369 Cb 0.02 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 1sb3 h PHE 369 CO -0.05 0.31 0.36 0.93 -2.23 0.00 0.00 178.31 177.64 1sb3 h GLU 370 N 0.43 1.09 -0.27 1.11 4.39 -0.90 -1.61 114.58 118.82 1sb3 h GLU 370 Ca 0.12 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1sb3 h GLU 370 Cb 0.01 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.45 1sb3 h GLU 370 CO -0.02 0.85 0.07 0.00 -1.16 0.00 0.00 179.01 178.74 1sb3 h ALA 371 N 1.18 0.36 -0.55 3.43 0.00 -0.94 -1.96 119.26 120.78 1sb3 h ALA 371 Ca 0.26 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1sb3 h ALA 371 Cb 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1sb3 h ALA 371 CO -0.03 0.01 0.02 1.25 0.00 0.00 0.00 179.25 180.50 1sb3 h LEU 372 N 0.27 0.94 -0.63 0.00 5.85 -1.25 -0.80 115.31 119.69 1sb3 h LEU 372 Ca 0.09 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.51 1sb3 h LEU 372 Cb 0.28 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1sb3 h LEU 372 CO 0.00 1.00 0.41 0.25 -0.34 0.00 0.00 178.44 179.77 1sb3 h LEU 373 N 0.84 0.72 -0.63 2.25 5.85 -1.26 0.10 115.31 123.18 1sb3 h LEU 373 Ca 0.16 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.77 1sb3 h LEU 373 Cb 0.51 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1sb3 h LEU 373 CO 0.02 0.53 0.07 0.74 -0.34 0.00 0.00 178.44 179.46 1sb3 h THR 374 N 0.85 1.26 -0.53 1.05 2.02 -1.08 -0.51 112.91 115.98 1sb3 h THR 374 Ca 0.23 -1.07 -0.05 0.00 0.77 0.00 0.00 66.41 66.29 1sb3 h THR 374 Cb -0.09 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1sb3 h THR 374 CO -0.05 0.40 0.15 -0.08 0.37 0.00 0.00 175.52 176.31 1sb3 h GLU 375 N 0.98 0.83 -0.60 6.66 4.81 -0.38 -2.43 114.58 124.45 1sb3 h GLU 375 Ca 0.19 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1sb3 h GLU 375 Cb 0.48 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1sb3 h GLU 375 CO 0.02 0.78 0.07 0.52 -0.73 0.00 0.00 179.01 179.67 1sb3 h MET 376 N 0.73 1.01 0.00 1.92 2.86 -0.66 -2.34 114.93 118.46 1sb3 h MET 376 Ca 0.17 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1sb3 h MET 376 Cb 0.31 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 1sb3 h MET 376 CO -0.00 0.96 -0.07 0.78 1.06 0.00 0.00 176.91 179.64 1sb3 h GLY 377 N 0.91 0.00 1.13 8.32 0.00 -0.90 -1.31 103.07 111.22 1sb3 h GLY 377 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.32 1sb3 h GLY 377 CO 0.02 0.00 -0.60 -2.09 0.00 0.00 0.00 176.54 173.87 1sb3 h GLU 378 N 0.00 0.83 0.00 4.80 4.81 -0.93 0.56 114.58 124.65 1sb3 h GLU 378 Ca -0.00 -0.57 -0.04 0.00 -0.13 0.00 0.00 59.36 58.62 1sb3 h GLU 378 Cb 0.15 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1sb3 h GLU 378 CO 0.01 1.20 -0.19 1.49 -0.73 0.00 0.00 179.01 180.79 1sb3 h GLU 379 N 0.60 0.00 -0.01 1.92 4.81 -0.99 -1.80 114.58 119.11 1sb3 h GLU 379 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1sb3 h GLU 379 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1sb3 h GLU 379 CO 0.13 0.19 -0.19 1.28 -0.73 0.00 0.00 179.01 179.69 1sb3 n LEU 380 N -4.14 1.03 -0.12 1.64 4.77 -0.62 -4.93 117.00 114.63 1sb3 n LEU 380 Ca -0.02 -0.27 -0.02 0.00 -0.03 0.00 0.00 56.01 55.67 1sb3 n LEU 380 Cb 0.26 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 1sb3 n LEU 380 CO 0.35 0.19 -0.02 0.61 -1.33 0.00 0.00 177.39 177.19 1sb3 n GLY 381 N 1.30 0.53 3.74 -0.72 0.00 -0.68 -5.03 105.19 104.33 1sb3 n GLY 381 Ca 0.14 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 1sb3 n GLY 381 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sb3 s ILE 382 N -2.00 5.32 0.29 -0.61 1.01 0.19 -5.00 121.20 120.40 1sb3 s ILE 382 Ca 0.00 0.15 -0.30 0.00 0.00 0.00 0.00 60.65 60.50 1sb3 s ILE 382 Cb 0.00 -3.40 -0.12 0.00 0.01 0.00 0.00 42.46 38.95 1sb3 s ILE 382 CO 0.00 0.47 1.54 -0.67 0.00 0.00 0.00 174.94 176.28 1sb3 n ASP 383 N 3.28 3.61 -0.11 3.58 2.03 -1.26 -3.97 116.55 123.71 1sb3 n ASP 383 Ca -0.17 1.16 0.08 0.00 0.52 0.00 0.00 54.79 56.38 1sb3 n ASP 383 Cb 0.52 -1.56 0.42 0.00 -0.72 0.00 0.00 41.12 39.78 1sb3 n ASP 383 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1sb3 h SER 384 N 4.42 0.52 0.05 1.67 4.64 -1.91 0.36 113.55 123.30 1sb3 h SER 384 Ca -0.47 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.61 1sb3 h SER 384 Cb 1.24 -0.11 0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1sb3 h SER 384 CO 0.77 0.34 -0.91 0.25 -0.87 0.00 0.00 176.83 176.40 1sb3 h LEU 385 N 0.60 0.81 -0.42 5.97 6.46 -1.94 -3.24 115.31 123.54 1sb3 h LEU 385 Ca 0.26 -0.60 -0.05 0.00 -0.12 0.00 0.00 57.88 57.38 1sb3 h LEU 385 Cb 0.28 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 39.95 1sb3 h LEU 385 CO -0.08 1.39 0.08 0.50 -0.62 0.00 0.00 178.44 179.72 1sb3 h LYS 386 N 0.40 0.68 0.00 1.25 1.63 -1.62 -2.50 116.57 116.41 1sb3 h LYS 386 Ca -0.09 -0.18 -0.00 0.00 -0.85 0.00 0.00 60.65 59.53 1sb3 h LYS 386 Cb 1.55 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 33.09 1sb3 h LYS 386 CO 0.18 0.71 -0.02 0.97 -3.45 0.00 0.00 179.45 177.84 1sb3 h ILE 387 N 0.55 0.21 0.13 2.00 2.10 -0.40 -0.35 117.51 121.74 1sb3 h ILE 387 Ca 0.13 -0.12 -0.19 0.00 1.08 0.00 0.00 64.86 65.76 1sb3 h ILE 387 Cb 0.35 1.09 0.01 0.00 -1.09 0.00 0.00 36.82 37.19 1sb3 h ILE 387 CO 0.01 0.02 -0.89 0.03 -1.08 0.00 0.00 178.15 176.23 1sb3 h ARG 388 N 0.00 0.27 -0.84 2.19 3.08 -1.52 -3.13 114.38 114.42 1sb3 h ARG 388 Ca -0.00 -0.45 0.10 0.00 0.07 0.00 0.00 59.98 59.69 1sb3 h ARG 388 Cb 0.09 0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.25 1sb3 h ARG 388 CO 0.00 1.22 0.55 1.96 -1.07 0.00 0.00 179.97 182.62 1sb3 h GLN 389 N -0.41 0.78 -0.07 0.04 4.20 -0.88 -1.26 115.11 117.50 1sb3 h GLN 389 Ca -0.17 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.45 1sb3 h GLN 389 Cb 1.62 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 29.22 1sb3 h GLN 389 CO 0.12 0.52 -0.16 0.82 -0.67 0.00 0.00 178.83 179.46 1sb3 h ILE 390 N 0.80 1.15 -0.62 2.54 2.04 -1.14 -3.20 117.51 119.08 1sb3 h ILE 390 Ca 0.39 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1sb3 h ILE 390 Cb 0.43 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1sb3 h ILE 390 CO -0.16 0.21 0.00 0.59 0.00 0.00 0.00 178.15 178.79 1sb3 n ASN 391 N -4.30 3.78 -4.71 1.72 3.02 -0.49 -4.92 115.26 109.37 1sb3 n ASN 391 Ca -0.02 -1.99 -0.34 0.00 -0.03 0.00 0.00 54.58 52.20 1sb3 n ASN 391 Cb 0.25 -0.41 0.11 0.00 -0.61 0.00 0.00 39.78 39.12 1sb3 n ASN 391 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1sb3 s MET 392 N -1.13 1.90 0.12 3.52 -1.94 -1.15 -0.62 119.30 120.00 1sb3 s MET 392 Ca 0.45 1.81 -0.35 0.00 -1.71 0.00 0.00 55.69 55.90 1sb3 s MET 392 Cb 0.24 -1.80 -0.14 0.00 2.01 0.00 0.00 34.83 35.14 1sb3 s MET 392 CO 0.32 -2.03 1.56 1.28 -0.01 0.00 0.00 175.02 176.14 1sb3 n LEU 393 N -2.93 2.84 -0.30 -0.03 4.77 -1.26 -4.37 117.00 115.72 1sb3 n LEU 393 Ca 0.14 1.08 -0.03 0.00 -0.03 0.00 0.00 56.01 57.17 1sb3 n LEU 393 Cb 0.50 -1.37 0.09 0.00 -2.33 0.00 0.00 43.42 40.30 1sb3 n LEU 393 CO 0.48 -0.41 1.21 1.55 -1.33 0.00 0.00 177.39 178.88 1sb3 h PRO 394 N 5.97 1.04 -3.84 3.23 0.13 -1.98 -3.46 132.00 133.09 1sb3 h PRO 394 Ca -0.46 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 64.52 1sb3 h PRO 394 Cb 1.27 -0.23 -0.14 0.00 0.13 0.00 0.00 31.00 32.02 1sb3 h PRO 394 CO 0.87 0.69 -0.41 1.14 -0.23 0.00 0.00 178.00 180.06 1sb3 s GLN 395 N -6.12 0.81 -0.02 0.86 0.00 -1.26 -5.17 119.66 108.75 1sb3 s GLN 395 Ca -0.13 -0.97 0.03 0.00 -0.00 0.00 0.00 55.36 54.29 1sb3 s GLN 395 Cb 0.16 0.32 0.00 0.00 0.00 0.00 0.00 33.01 33.50 1sb3 s GLN 395 CO 0.79 -0.24 -0.09 0.42 0.00 0.00 0.00 175.29 176.16 1sb3 s ILE 396 N -3.78 0.78 0.86 3.63 -1.09 -1.26 -3.86 121.20 116.48 1sb3 s ILE 396 Ca 0.04 -0.37 -0.11 0.00 -2.23 0.00 0.00 60.65 57.98 1sb3 s ILE 396 Cb 0.05 -0.69 0.11 0.00 -1.58 0.00 0.00 42.46 40.35 1sb3 s ILE 396 CO -0.10 0.24 1.16 -2.16 -1.23 0.00 0.00 174.94 172.85 1sb3 s PRO 397 N 0.15 1.36 -0.05 2.79 0.04 -1.26 -5.08 135.00 132.95 1sb3 s PRO 397 Ca -0.02 1.60 -0.01 0.00 0.04 0.00 0.00 61.00 62.60 1sb3 s PRO 397 Cb -0.08 -1.76 0.03 0.00 0.04 0.00 0.00 34.50 32.73 1sb3 s PRO 397 CO 0.00 -2.39 0.01 -0.47 0.04 0.00 0.00 177.00 174.20 1sb3 s TYR 398 N -2.48 0.45 -0.29 0.56 5.04 -0.62 -5.00 117.35 115.02 1sb3 s TYR 398 Ca 0.69 -0.03 -0.11 0.00 -2.44 0.00 0.00 57.07 55.17 1sb3 s TYR 398 Cb -0.24 -0.63 -0.04 0.00 0.35 0.00 0.00 41.96 41.39 1sb3 s TYR 398 CO 0.55 -0.24 0.20 0.08 -1.34 0.00 0.00 175.55 174.79 1sb3 s VAL 399 N 1.75 5.30 0.82 3.14 1.01 -1.26 -1.00 120.40 130.16 1sb3 s VAL 399 Ca 0.01 0.12 -0.12 0.00 0.00 0.00 0.00 61.98 61.99 1sb3 s VAL 399 Cb -0.13 -3.56 0.08 0.00 0.00 0.00 0.00 36.38 32.78 1sb3 s VAL 399 CO -0.04 0.21 1.14 0.42 0.00 0.00 0.00 175.10 176.83 1sb3 s THR 400 N 1.76 2.43 0.05 3.92 -4.23 -0.35 -4.91 115.64 114.30 1sb3 s THR 400 Ca 0.07 0.14 0.33 0.00 -1.18 0.00 0.00 61.69 61.04 1sb3 s THR 400 Cb -0.16 -3.04 0.36 0.00 1.34 0.00 0.00 72.50 71.00 1sb3 s THR 400 CO 0.11 -0.18 1.97 0.24 -0.54 0.00 0.00 174.62 176.22 1sb3 h MET 401 N -1.10 0.00 -0.01 3.99 2.86 -1.94 -0.51 114.93 118.21 1sb3 h MET 401 Ca -0.47 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 1sb3 h MET 401 Cb 1.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.97 1sb3 h MET 401 CO 0.64 0.00 -0.09 0.98 1.06 0.00 0.00 176.91 179.50 1sb3 n TYR 402 N -2.85 0.00 -0.84 -0.22 4.19 -1.26 -4.92 117.16 111.27 1sb3 n TYR 402 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1sb3 n TYR 402 Cb 0.23 -0.10 0.00 0.00 0.49 0.00 0.00 39.34 39.96 1sb3 n TYR 402 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1sb3 n ALA 403 N -0.65 0.00 -2.01 2.98 0.00 -0.20 -4.65 120.51 115.97 1sb3 n ALA 403 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.24 1sb3 n ALA 403 Cb 0.28 -0.39 -0.06 0.00 0.00 0.00 0.00 19.45 19.28 1sb3 n ALA 403 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1sb3 s GLN 404 N -1.56 4.38 -0.39 0.00 -0.21 -1.26 -4.44 119.66 116.19 1sb3 s GLN 404 Ca 0.00 1.02 -0.06 0.00 0.02 0.00 0.00 55.36 56.33 1sb3 s GLN 404 Cb 0.00 -2.94 0.08 0.00 1.00 0.00 0.00 33.01 31.15 1sb3 s GLN 404 CO 0.00 0.41 0.19 1.03 -2.12 0.00 0.00 175.29 174.80 1sb3 s ARG 405 N -1.82 2.45 -0.48 2.91 0.52 -1.26 -1.21 118.95 120.06 1sb3 s ARG 405 Ca 0.43 -1.47 -0.24 0.00 -0.52 0.00 0.00 55.73 53.93 1sb3 s ARG 405 Cb -0.18 -3.61 0.03 0.00 0.52 0.00 0.00 34.95 31.71 1sb3 s ARG 405 CO 0.23 -0.89 0.85 0.08 0.02 0.00 0.00 175.30 175.58 1sb3 s VAL 406 N 1.33 4.56 -1.94 3.52 1.01 -0.17 -4.71 120.40 124.00 1sb3 s VAL 406 Ca 0.02 0.43 0.20 0.00 0.00 0.00 0.00 61.98 62.64 1sb3 s VAL 406 Cb -0.22 -4.40 0.01 0.00 0.00 0.00 0.00 36.38 31.78 1sb3 s VAL 406 CO 0.00 -0.84 1.02 0.23 0.00 0.00 0.00 175.10 175.52 1sb3 n MET 407 N 6.97 1.46 -3.67 2.72 0.00 -1.26 -1.59 117.12 121.75 1sb3 n MET 407 Ca 0.03 -1.04 -0.14 0.00 0.00 0.00 0.00 57.70 56.55 1sb3 n MET 407 Cb 0.48 -1.40 -0.08 0.00 0.00 0.00 0.00 33.22 32.21 1sb3 n MET 407 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1sb3 s SER 408 N -2.20 -0.60 -0.27 7.83 1.04 -1.26 -4.61 113.70 113.63 1sb3 s SER 408 Ca 0.18 1.13 -0.01 0.00 0.48 0.00 0.00 55.95 57.73 1sb3 s SER 408 Cb 0.16 1.15 0.16 0.00 0.10 0.00 0.00 66.02 67.59 1sb3 s SER 408 CO 0.48 -0.22 0.45 -0.47 0.98 0.00 0.00 173.24 174.46 1sb3 s TYR 409 N 0.24 -1.11 -1.77 5.02 5.04 -1.26 -4.75 117.35 118.75 1sb3 s TYR 409 Ca -0.01 0.98 0.21 0.00 -2.44 0.00 0.00 57.07 55.82 1sb3 s TYR 409 Cb -0.04 0.14 0.62 0.00 0.35 0.00 0.00 41.96 43.04 1sb3 s TYR 409 CO 0.01 -0.83 1.52 0.41 -1.34 0.00 0.00 175.55 175.33 1sb3 n GLY 410 N 5.38 2.57 0.27 8.97 0.00 -1.26 -4.62 105.19 116.50 1sb3 n GLY 410 Ca -0.02 -0.76 0.05 0.00 0.00 0.00 0.00 46.02 45.29 1sb3 n GLY 410 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1sb3 h VAL 411 N 4.05 0.52 -0.32 1.61 2.07 -1.96 -0.68 116.25 121.54 1sb3 h VAL 411 Ca 0.00 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 67.49 1sb3 h VAL 411 Cb 1.02 0.22 -0.07 0.00 -1.52 0.00 0.00 31.29 30.94 1sb3 h VAL 411 CO 0.02 0.05 -0.11 -0.65 0.02 0.00 0.00 177.57 176.90 1sb3 h PRO 412 N 0.28 -0.05 -0.49 1.57 0.11 -2.00 -0.30 132.00 131.12 1sb3 h PRO 412 Ca 0.41 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.42 1sb3 h PRO 412 Cb 0.70 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.80 1sb3 h PRO 412 CO -0.50 -0.03 -0.13 1.49 -0.21 0.00 0.00 178.00 178.62 1sb3 h GLU 413 N -0.05 0.93 -0.16 1.05 4.81 -1.73 -2.37 114.58 117.07 1sb3 h GLU 413 Ca 0.16 -0.34 0.04 0.00 -0.13 0.00 0.00 59.36 59.09 1sb3 h GLU 413 Cb 0.29 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 1sb3 h GLU 413 CO -0.36 1.00 -0.10 0.00 -0.73 0.00 0.00 179.01 178.82 1sb3 h LEU 415 N -0.10 0.12 -1.18 0.00 3.38 -1.00 -1.46 115.31 115.07 1sb3 h LEU 415 Ca 0.09 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1sb3 h LEU 415 Cb 0.24 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1sb3 h LEU 415 CO -0.22 0.14 0.46 -0.33 0.09 0.00 0.00 178.44 178.58 1sb3 h GLU 416 N 0.09 1.02 0.00 1.13 4.39 -1.20 -0.47 114.58 119.54 1sb3 h GLU 416 Ca 0.04 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 1sb3 h GLU 416 Cb 0.04 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.47 1sb3 h GLU 416 CO -0.01 0.71 -0.00 0.87 -1.16 0.00 0.00 179.01 179.42 1sb3 h LYS 417 N 1.04 -0.00 0.00 2.33 6.56 -0.41 -0.98 116.57 125.11 1sb3 h LYS 417 Ca 0.27 0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.79 1sb3 h LYS 417 Cb -0.05 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.60 1sb3 h LYS 417 CO -0.05 0.30 -0.32 -0.39 -2.06 0.00 0.00 179.45 176.92 1sb3 h VAL 418 N -0.31 0.80 0.01 0.50 -1.51 -1.17 0.60 116.25 115.17 1sb3 h VAL 418 Ca -0.00 -1.35 -0.00 0.00 -1.23 0.00 0.00 66.70 64.12 1sb3 h VAL 418 Cb 0.31 1.84 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 1sb3 h VAL 418 CO 0.00 0.32 -0.00 0.50 -1.23 0.00 0.00 177.57 177.15 1sb3 h LYS 419 N 0.00 -0.01 0.27 5.19 3.64 -0.92 -1.73 116.57 123.00 1sb3 h LYS 419 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1sb3 h LYS 419 Cb 0.82 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1sb3 h LYS 419 CO 0.04 0.32 -0.13 0.00 -2.27 0.00 0.00 179.45 177.41 1sb3 h ALA 420 N 0.65 -0.36 -0.98 5.00 0.00 -1.04 -1.91 119.26 120.62 1sb3 h ALA 420 Ca -0.00 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 54.87 1sb3 h ALA 420 Cb 0.33 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.18 1sb3 h ALA 420 CO 0.00 -0.53 0.62 0.00 0.00 0.00 0.00 179.25 179.34 1sb3 h ALA 421 N -0.10 1.63 -0.00 0.00 0.00 -0.92 -0.89 119.26 118.98 1sb3 h ALA 421 Ca -0.04 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sb3 h ALA 421 Cb 0.48 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1sb3 h ALA 421 CO 0.06 0.09 -0.13 -1.13 0.00 0.00 0.00 179.25 178.14 1sb3 n SER 422 N -4.63 0.31 -2.54 0.00 3.41 -0.65 -4.91 113.62 104.60 1sb3 n SER 422 Ca 0.20 -0.23 -0.18 0.00 -0.26 0.00 0.00 58.87 58.39 1sb3 n SER 422 Cb 0.43 -0.15 0.04 0.00 -0.26 0.00 0.00 64.21 64.27 1sb3 n SER 422 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sb3 n GLY 423 N 1.36 -0.26 0.37 5.00 0.00 -0.34 -4.89 105.19 106.43 1sb3 n GLY 423 Ca 0.11 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 1sb3 n GLY 423 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1sb3 h TRP 424 N -1.32 -1.09 -0.39 1.61 2.91 -1.59 -1.44 115.95 114.64 1sb3 h TRP 424 Ca -0.43 0.05 0.07 0.00 1.13 0.00 0.00 58.89 59.72 1sb3 h TRP 424 Cb 1.29 0.51 -0.09 0.00 -0.51 0.00 0.00 29.16 30.36 1sb3 h TRP 424 CO 0.41 -0.43 -0.39 0.93 -1.03 0.00 0.00 178.44 177.92 1sb3 h GLU 425 N -0.39 -0.30 0.00 2.65 4.39 -1.91 0.32 114.58 119.33 1sb3 h GLU 425 Ca 0.11 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1sb3 h GLU 425 Cb 0.58 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1sb3 h GLU 425 CO -0.45 -0.20 0.00 0.93 -1.16 0.00 0.00 179.01 178.13 1sb3 h GLU 426 N -0.31 0.00 0.00 2.33 4.39 -1.92 -3.37 114.58 115.70 1sb3 h GLU 426 Ca 0.15 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.68 1sb3 h GLU 426 Cb 0.57 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.19 1sb3 h GLU 426 CO -0.55 0.00 -1.68 0.54 -1.16 0.00 0.00 179.01 176.15 1sb3 n ARG 427 N -2.83 2.16 -1.67 2.33 1.74 -0.56 -4.79 116.66 113.04 1sb3 n ARG 427 Ca 0.03 -0.01 -0.44 0.00 -0.77 0.00 0.00 57.85 56.66 1sb3 n ARG 427 Cb 0.43 -1.26 -0.04 0.00 -1.02 0.00 0.00 32.46 30.57 1sb3 n ARG 427 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1sb3 n LYS 428 N -2.33 2.60 -0.91 5.56 3.00 0.11 -0.96 118.16 125.22 1sb3 n LYS 428 Ca -0.15 0.95 0.00 0.00 -0.00 0.00 0.00 58.31 59.11 1sb3 n LYS 428 Cb 0.78 -2.85 0.00 0.00 0.00 0.00 0.00 35.03 32.96 1sb3 n LYS 428 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1sb3 n GLY 429 N 4.40 0.88 2.43 3.14 0.00 -1.26 -4.89 105.19 109.89 1sb3 n GLY 429 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 1sb3 n GLY 429 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sb3 n LYS 430 N -2.16 2.66 -4.08 1.61 5.02 -0.14 -5.08 118.16 116.00 1sb3 n LYS 430 Ca 0.00 -3.86 -0.22 0.00 -2.02 0.00 0.00 58.31 52.22 1sb3 n LYS 430 Cb 0.00 -1.93 -0.04 0.00 -0.02 0.00 0.00 35.03 33.04 1sb3 n LYS 430 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sb3 s LEU 431 N -3.66 3.95 0.99 -0.35 1.43 -1.24 -4.91 118.68 114.88 1sb3 s LEU 431 Ca 0.39 -0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 53.21 1sb3 s LEU 431 Cb 0.37 -2.48 0.15 0.00 0.03 0.00 0.00 46.19 44.26 1sb3 s LEU 431 CO -0.01 -0.05 0.90 -2.65 0.23 0.00 0.00 176.35 174.78 1sb3 n PRO 432 N -1.24 -0.92 -1.71 1.29 -0.02 -1.26 -4.86 135.00 126.28 1sb3 n PRO 432 Ca -0.08 -0.22 -0.43 0.00 -2.02 0.00 0.00 63.50 60.75 1sb3 n PRO 432 Cb 0.58 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.84 1sb3 n PRO 432 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1sb3 n LYS 433 N -3.77 2.50 -0.21 -0.52 3.00 -1.26 -2.46 118.16 115.45 1sb3 n LYS 433 Ca 0.08 0.89 0.00 0.00 -0.00 0.00 0.00 58.31 59.29 1sb3 n LYS 433 Cb 0.53 -2.66 0.00 0.00 0.00 0.00 0.00 35.03 32.90 1sb3 n LYS 433 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1sb3 n GLY 434 N 2.77 0.89 3.56 3.14 0.00 -1.13 -5.02 105.19 109.40 1sb3 n GLY 434 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 1sb3 n GLY 434 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sb3 s ARG 435 N -0.62 2.01 0.22 1.61 0.52 -1.03 -0.90 118.95 120.76 1sb3 s ARG 435 Ca 0.00 -1.37 -0.16 0.00 -0.52 0.00 0.00 55.73 53.68 1sb3 s ARG 435 Cb 0.00 -2.09 0.01 0.00 0.52 0.00 0.00 34.95 33.39 1sb3 s ARG 435 CO 0.00 0.41 0.52 0.20 0.02 0.00 0.00 175.30 176.45 1sb3 s GLY 436 N -3.02 0.15 -0.01 -3.53 0.00 0.14 -3.52 107.32 97.53 1sb3 s GLY 436 Ca 0.26 -0.50 0.04 0.00 0.00 0.00 0.00 44.72 44.52 1sb3 s GLY 436 CO 0.15 -0.40 -0.12 1.08 0.00 0.00 0.00 173.10 173.81 1sb3 s LEU 437 N -2.93 2.01 0.08 0.66 1.43 -1.26 -1.84 118.68 116.83 1sb3 s LEU 437 Ca 0.14 -0.23 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 1sb3 s LEU 437 Cb -0.01 -0.65 -0.03 0.00 0.03 0.00 0.00 46.19 45.53 1sb3 s LEU 437 CO 0.03 0.15 -0.09 -0.83 0.23 0.00 0.00 176.35 175.84 1sb3 s GLY 438 N -0.26 0.71 0.06 -3.19 0.00 -0.15 -3.80 107.32 100.69 1sb3 s GLY 438 Ca 0.04 -1.08 0.05 0.00 0.00 0.00 0.00 44.72 43.73 1sb3 s GLY 438 CO -0.00 -1.15 -0.13 -1.50 0.00 0.00 0.00 173.10 170.31 1sb3 s ILE 439 N -2.34 1.04 -0.03 0.90 1.10 -1.26 -1.05 121.20 119.56 1sb3 s ILE 439 Ca 0.01 -1.24 -0.29 0.00 -0.51 0.00 0.00 60.65 58.63 1sb3 s ILE 439 Cb -0.03 -1.00 0.09 0.00 0.15 0.00 0.00 42.46 41.66 1sb3 s ILE 439 CO -0.01 -0.22 0.76 0.00 -2.11 0.00 0.00 174.94 173.36 1sb3 s ALA 440 N -1.23 -1.78 0.19 1.50 0.00 -0.95 -4.26 121.76 115.23 1sb3 s ALA 440 Ca -0.03 1.18 0.11 0.00 0.00 0.00 0.00 51.96 53.22 1sb3 s ALA 440 Cb -0.10 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 1sb3 s ALA 440 CO 0.02 -0.47 -0.23 -0.51 0.00 0.00 0.00 175.76 174.57 1sb3 s LEU 441 N -1.63 2.48 0.21 0.00 1.43 -1.26 -1.62 118.68 118.29 1sb3 s LEU 441 Ca -0.05 -0.85 -0.22 0.00 -1.03 0.00 0.00 54.13 51.98 1sb3 s LEU 441 Cb -0.00 -1.21 0.05 0.00 0.03 0.00 0.00 46.19 45.05 1sb3 s LEU 441 CO 0.01 0.12 0.68 -0.94 0.23 0.00 0.00 176.35 176.46 1sb3 s SER 442 N -2.69 -0.39 0.27 2.29 1.04 -0.51 -4.53 113.70 109.18 1sb3 s SER 442 Ca 0.21 -0.32 -0.21 0.00 0.48 0.00 0.00 55.95 56.11 1sb3 s SER 442 Cb -0.08 0.65 0.02 0.00 0.10 0.00 0.00 66.02 66.72 1sb3 s SER 442 CO 0.10 -1.15 0.70 -1.38 0.98 0.00 0.00 173.24 172.49 1sb3 s HIS 443 N -3.80 -0.19 0.19 5.02 -3.43 -1.11 -0.86 115.29 111.13 1sb3 s HIS 443 Ca 0.07 -0.25 -0.20 0.00 -0.80 0.00 0.00 55.06 53.88 1sb3 s HIS 443 Cb -0.04 0.67 0.04 0.00 -1.43 0.00 0.00 32.58 31.82 1sb3 s HIS 443 CO -0.02 -1.19 0.58 0.12 -2.00 0.00 0.00 174.74 172.22 1sb3 s PHE 444 N -3.91 -0.28 0.64 0.38 5.36 -0.77 -4.67 117.98 114.73 1sb3 s PHE 444 Ca 0.11 -0.03 -0.14 0.00 -0.96 0.00 0.00 56.93 55.91 1sb3 s PHE 444 Cb -0.05 0.50 -0.01 0.00 -0.34 0.00 0.00 43.02 43.11 1sb3 s PHE 444 CO 0.05 -0.94 1.07 0.14 -1.46 0.00 0.00 175.22 174.09 1sb3 s VAL 445 N -3.83 3.71 -0.83 3.12 -7.23 -1.26 -0.93 120.40 113.14 1sb3 s VAL 445 Ca 0.06 0.73 0.01 0.00 -1.81 0.00 0.00 61.98 60.96 1sb3 s VAL 445 Cb -0.02 -3.29 0.34 0.00 0.56 0.00 0.00 36.38 33.98 1sb3 s VAL 445 CO -0.05 -0.56 1.64 -1.20 -0.31 0.00 0.00 175.10 174.62 1sb3 n SER 446 N -2.47 6.59 0.00 4.85 7.64 -0.50 -4.60 113.62 125.13 1sb3 n SER 446 Ca 0.09 -3.73 0.00 0.00 1.01 0.00 0.00 58.87 56.23 1sb3 n SER 446 Cb 0.53 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 1sb3 n SER 446 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sb3 n GLY 447 N -0.27 1.43 3.65 0.23 0.00 0.14 -4.48 105.19 105.88 1sb3 n GLY 447 Ca 0.45 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 1sb3 n GLY 447 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sb3 s THR 448 N -0.46 4.08 -1.73 2.61 2.01 -1.26 -4.22 115.64 116.67 1sb3 s THR 448 Ca 0.00 1.26 0.11 0.00 0.31 0.00 0.00 61.69 63.37 1sb3 s THR 448 Cb 0.00 -3.95 0.25 0.00 0.01 0.00 0.00 72.50 68.81 1sb3 s THR 448 CO 0.00 -0.26 1.17 -1.54 -0.69 0.00 0.00 174.62 173.29 1sb3 n SER 449 N 7.27 0.00 -4.09 3.53 3.41 -0.96 -4.55 113.62 118.23 1sb3 n SER 449 Ca 0.15 -0.12 -0.30 0.00 -0.26 0.00 0.00 58.87 58.34 1sb3 n SER 449 Cb 0.45 -0.14 -0.17 0.00 -0.26 0.00 0.00 64.21 64.10 1sb3 n SER 449 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1sb3 s THR 450 N -2.27 1.71 0.77 6.66 2.01 -1.26 -4.72 115.64 118.53 1sb3 s THR 450 Ca 0.14 -0.76 -0.13 0.00 0.31 0.00 0.00 61.69 61.25 1sb3 s THR 450 Cb 0.07 -1.55 0.06 0.00 0.01 0.00 0.00 72.50 71.10 1sb3 s THR 450 CO 0.14 0.48 1.15 -2.84 -0.69 0.00 0.00 174.62 172.87 1sb3 s PRO 451 N 1.05 2.02 0.31 4.92 0.02 -1.26 -4.92 135.00 137.13 1sb3 s PRO 451 Ca -0.04 1.52 0.13 0.00 0.02 0.00 0.00 61.00 62.63 1sb3 s PRO 451 Cb -0.15 -1.84 0.48 0.00 0.02 0.00 0.00 34.50 33.02 1sb3 s PRO 451 CO -0.04 -1.88 1.67 0.87 -0.33 0.00 0.00 177.00 177.29 1sb3 h LYS 452 N -0.78 0.00 -4.99 5.54 1.57 -1.96 -3.41 116.57 112.53 1sb3 h LYS 452 Ca -0.45 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.67 1sb3 h LYS 452 Cb 1.27 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 33.30 1sb3 h LYS 452 CO 0.49 0.52 -0.72 -1.01 -0.57 0.00 0.00 179.45 178.17 1sb3 s HIS 453 N -3.65 2.97 -1.00 -1.35 3.76 -1.26 -4.76 115.29 109.99 1sb3 s HIS 453 Ca -0.01 -0.92 -0.21 0.00 -0.15 0.00 0.00 55.06 53.77 1sb3 s HIS 453 Cb 0.12 -2.11 0.08 0.00 1.11 0.00 0.00 32.58 31.78 1sb3 s HIS 453 CO 0.74 -0.54 1.34 -1.58 -0.85 0.00 0.00 174.74 173.84 1sb3 s TRP 454 N 1.48 2.79 -1.05 1.40 0.51 -1.26 -4.67 118.94 118.14 1sb3 s TRP 454 Ca 0.06 -1.11 0.13 0.00 -2.12 0.00 0.00 56.10 53.05 1sb3 s TRP 454 Cb -0.14 -4.54 -0.03 0.00 -0.81 0.00 0.00 33.47 27.95 1sb3 s TRP 454 CO -0.03 -1.75 0.69 0.25 -0.51 0.00 0.00 176.95 175.60 1sb3 n THR 455 N 6.29 0.00 -1.31 2.01 -2.24 -1.26 -4.98 114.28 112.79 1sb3 n THR 455 Ca 0.30 -0.33 -0.11 0.00 -2.27 0.00 0.00 64.05 61.65 1sb3 n THR 455 Cb 0.50 1.12 -0.05 0.00 -2.10 0.00 0.00 70.33 69.80 1sb3 n THR 455 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sb3 n GLY 456 N 1.07 1.20 3.93 3.38 0.00 -1.26 -5.01 105.19 108.50 1sb3 n GLY 456 Ca 0.05 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.27 1sb3 n GLY 456 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sb3 s GLU 457 N -2.90 3.22 0.88 1.61 2.02 -1.26 -5.06 118.70 117.21 1sb3 s GLU 457 Ca 0.00 -0.18 -0.10 0.00 0.02 0.00 0.00 54.97 54.71 1sb3 s GLU 457 Cb 0.00 -2.46 0.12 0.00 0.10 0.00 0.00 34.13 31.89 1sb3 s GLU 457 CO 0.00 -0.29 1.12 -1.25 0.02 0.00 0.00 175.26 174.87 1sb3 s PRO 458 N -4.67 1.34 0.06 0.39 0.04 -1.26 -4.90 135.00 126.01 1sb3 s PRO 458 Ca 0.48 1.37 0.28 0.00 0.04 0.00 0.00 61.00 63.17 1sb3 s PRO 458 Cb -0.10 -1.78 1.07 0.00 0.04 0.00 0.00 34.50 33.73 1sb3 s PRO 458 CO 0.41 -2.35 1.86 0.72 0.04 0.00 0.00 177.00 177.68 1sb3 n HIS 459 N -4.02 0.29 -3.63 0.56 8.25 0.13 -4.81 115.22 111.98 1sb3 n HIS 459 Ca 0.10 0.08 -0.12 0.00 -0.26 0.00 0.00 57.72 57.53 1sb3 n HIS 459 Cb 0.53 -0.63 -0.07 0.00 1.12 0.00 0.00 29.99 30.94 1sb3 n HIS 459 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sb3 s ALA 460 N -3.03 -1.86 -0.05 -1.41 0.00 -0.92 -4.63 121.76 109.86 1sb3 s ALA 460 Ca 0.13 2.00 -0.00 0.00 0.00 0.00 0.00 51.96 54.08 1sb3 s ALA 460 Cb 0.17 -1.29 0.03 0.00 0.00 0.00 0.00 23.12 22.03 1sb3 s ALA 460 CO 0.56 -0.31 -0.02 0.99 0.00 0.00 0.00 175.76 176.99 1sb3 s THR 461 N 0.40 0.40 -0.05 0.00 2.01 -1.26 -1.28 115.64 115.86 1sb3 s THR 461 Ca 0.01 0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.08 1sb3 s THR 461 Cb -0.05 -0.50 -0.00 0.00 0.01 0.00 0.00 72.50 71.95 1sb3 s THR 461 CO -0.03 0.23 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.25 1sb3 s VAL 462 N 1.42 1.56 0.06 3.82 1.01 0.28 -4.62 120.40 123.94 1sb3 s VAL 462 Ca -0.03 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.20 1sb3 s VAL 462 Cb -0.13 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 1sb3 s VAL 462 CO -0.03 0.45 -0.06 0.20 0.00 0.00 0.00 175.10 175.65 1sb3 s ASN 463 N -0.01 4.63 0.08 3.32 0.01 -0.81 -0.33 114.94 121.83 1sb3 s ASN 463 Ca -0.04 -0.24 0.07 0.00 -0.71 0.00 0.00 52.86 51.94 1sb3 s ASN 463 Cb -0.12 -1.01 -0.03 0.00 0.41 0.00 0.00 41.25 40.50 1sb3 s ASN 463 CO 0.02 0.22 -0.18 -0.76 -1.51 0.00 0.00 177.10 174.89 1sb3 s LEU 464 N -1.92 2.26 -0.03 0.60 1.43 -0.56 -0.64 118.68 119.83 1sb3 s LEU 464 Ca 0.21 -0.62 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1sb3 s LEU 464 Cb -0.11 -0.76 0.01 0.00 0.03 0.00 0.00 46.19 45.36 1sb3 s LEU 464 CO 0.12 0.03 -0.05 -0.75 0.23 0.00 0.00 176.35 175.93 1sb3 s LYS 465 N -1.70 0.68 -0.04 1.70 2.20 -0.11 -1.63 119.74 120.84 1sb3 s LYS 465 Ca 0.04 -0.14 -0.02 0.00 -0.36 0.00 0.00 55.97 55.49 1sb3 s LYS 465 Cb -0.10 -0.68 0.03 0.00 -1.51 0.00 0.00 37.83 35.57 1sb3 s LYS 465 CO 0.03 -0.00 0.05 -1.17 -0.36 0.00 0.00 175.35 173.90 1sb3 s LEU 466 N 0.52 0.34 0.00 5.43 2.96 -0.14 -1.00 118.68 126.79 1sb3 s LEU 466 Ca -0.07 0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.90 1sb3 s LEU 466 Cb -0.10 -0.17 -0.00 0.00 0.50 0.00 0.00 46.19 46.42 1sb3 s LEU 466 CO -0.00 -0.22 0.01 -0.67 -1.32 0.00 0.00 176.35 174.15 1sb3 n ASP 467 N 5.10 2.44 -0.31 3.68 4.64 -1.26 -0.77 116.55 130.08 1sb3 n ASP 467 Ca -0.07 -2.07 0.29 0.00 -1.38 0.00 0.00 54.79 51.56 1sb3 n ASP 467 Cb 0.50 0.22 0.64 0.00 -1.04 0.00 0.00 41.12 41.44 1sb3 n ASP 467 CO 0.00 0.00 0.00 2.19 -0.82 0.00 0.00 177.20 178.57 1sb3 h PHE 468 N 1.15 0.30 0.00 -0.67 -5.15 -1.93 -1.53 116.94 109.12 1sb3 h PHE 468 Ca -0.20 0.01 -0.02 0.00 -0.20 0.00 0.00 57.97 57.56 1sb3 h PHE 468 Cb 0.61 -0.09 -0.00 0.00 0.22 0.00 0.00 35.95 36.69 1sb3 h PHE 468 CO 0.00 0.02 -0.10 0.38 -2.00 0.00 0.00 178.31 176.61 1sb3 h ASP 469 N 0.18 0.00 0.00 -0.68 3.04 -1.98 -3.46 116.42 113.52 1sb3 h ASP 469 Ca 0.57 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.36 1sb3 h ASP 469 Cb 1.88 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.17 1sb3 h ASP 469 CO -0.14 0.10 0.00 0.61 -2.04 0.00 0.00 179.24 177.77 1sb3 n GLY 470 N -0.28 0.91 3.72 7.15 0.00 -0.57 -5.04 105.19 111.08 1sb3 n GLY 470 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1sb3 n GLY 470 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sb3 s GLY 471 N -1.69 2.70 -0.22 -0.02 0.00 -1.26 -4.98 107.32 101.86 1sb3 s GLY 471 Ca 0.00 0.23 -0.13 0.00 0.00 0.00 0.00 44.72 44.82 1sb3 s GLY 471 CO 0.00 1.25 0.28 -0.42 0.00 0.00 0.00 173.10 174.21 1sb3 s ILE 472 N 0.69 5.28 -0.20 0.90 1.01 -0.44 -4.29 121.20 124.16 1sb3 s ILE 472 Ca 0.40 0.45 -0.08 0.00 0.00 0.00 0.00 60.65 61.42 1sb3 s ILE 472 Cb -0.19 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 1sb3 s ILE 472 CO 0.21 0.30 0.09 -0.89 0.00 0.00 0.00 174.94 174.65 1sb3 s THR 473 N 1.13 4.97 -0.21 2.92 2.01 -0.17 -0.91 115.64 125.38 1sb3 s THR 473 Ca 0.14 0.03 -0.05 0.00 0.31 0.00 0.00 61.69 62.12 1sb3 s THR 473 Cb -0.14 -3.26 -0.02 0.00 0.01 0.00 0.00 72.50 69.09 1sb3 s THR 473 CO 0.06 0.43 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.19 1sb3 s LEU 474 N 0.52 3.11 -0.22 4.42 0.20 0.62 -0.93 118.68 126.40 1sb3 s LEU 474 Ca 0.05 -0.28 -0.04 0.00 0.69 0.00 0.00 54.13 54.54 1sb3 s LEU 474 Cb -0.12 -1.80 -0.01 0.00 -0.43 0.00 0.00 46.19 43.83 1sb3 s LEU 474 CO 0.00 0.02 -0.03 -0.76 -0.29 0.00 0.00 176.35 175.30 1sb3 s LEU 475 N 1.25 2.99 0.02 -0.68 1.02 0.19 -0.96 118.68 122.51 1sb3 s LEU 475 Ca 0.03 -0.35 0.02 0.00 0.02 0.00 0.00 54.13 53.85 1sb3 s LEU 475 Cb -0.15 -1.77 -0.01 0.00 0.02 0.00 0.00 46.19 44.28 1sb3 s LEU 475 CO 0.00 -0.01 -0.06 0.28 0.02 0.00 0.00 176.35 176.58 1sb3 s THR 476 N 1.45 0.40 -1.89 5.49 -1.32 -0.90 -1.93 115.64 116.95 1sb3 s THR 476 Ca 0.05 -0.61 0.29 0.00 -1.21 0.00 0.00 61.69 60.21 1sb3 s THR 476 Cb -0.14 -0.42 0.53 0.00 -1.51 0.00 0.00 72.50 70.96 1sb3 s THR 476 CO -0.02 -0.15 1.86 0.61 -2.21 0.00 0.00 174.62 174.71 1sb3 n GLY 477 N 2.24 -0.72 3.77 6.08 0.00 -0.64 -1.49 105.19 114.43 1sb3 n GLY 477 Ca -0.18 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 1sb3 n GLY 477 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sb3 s ALA 478 N -2.30 3.56 -0.40 4.61 0.00 -1.26 -4.09 121.76 121.88 1sb3 s ALA 478 Ca 0.33 1.46 -0.18 0.00 0.00 0.00 0.00 51.96 53.58 1sb3 s ALA 478 Cb 0.20 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.77 1sb3 s ALA 478 CO 0.43 -0.90 0.48 0.00 0.00 0.00 0.00 175.76 175.77 1sb3 s ALA 479 N -1.01 3.43 -0.29 0.00 0.00 -1.26 -4.04 121.76 118.58 1sb3 s ALA 479 Ca 0.52 -1.34 -0.26 0.00 0.00 0.00 0.00 51.96 50.88 1sb3 s ALA 479 Cb -0.44 -3.06 0.01 0.00 0.00 0.00 0.00 23.12 19.62 1sb3 s ALA 479 CO 0.58 -1.50 0.92 0.34 0.00 0.00 0.00 175.76 176.10 1sb3 s ASP 480 N 1.83 6.83 -0.16 0.00 -1.08 -1.26 -4.78 116.67 118.05 1sb3 s ASP 480 Ca 0.15 0.92 0.17 0.00 -0.52 0.00 0.00 52.55 53.27 1sb3 s ASP 480 Cb -0.16 -2.47 0.46 0.00 -1.46 0.00 0.00 42.92 39.28 1sb3 s ASP 480 CO 0.14 -0.70 1.35 2.30 0.52 0.00 0.00 175.17 178.78 1sb3 n ILE 481 N 5.58 2.11 0.00 4.11 -5.35 -1.26 -4.51 119.36 120.04 1sb3 n ILE 481 Ca 0.08 -1.90 0.00 0.00 -0.27 0.00 0.00 62.75 60.66 1sb3 n ILE 481 Cb 0.47 -0.20 0.00 0.00 -1.74 0.00 0.00 39.64 38.18 1sb3 n ILE 481 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sb3 n GLY 482 N -0.65 1.26 0.18 3.28 0.00 -1.26 -3.32 105.19 104.69 1sb3 n GLY 482 Ca 0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.28 1sb3 n GLY 482 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1sb3 h GLN 483 N 1.58 0.00 0.00 1.61 -0.00 -1.93 -3.48 115.11 112.89 1sb3 h GLN 483 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1sb3 h GLN 483 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 1sb3 h GLN 483 CO 0.00 0.31 0.00 0.41 -0.00 0.00 0.00 178.83 179.55 1sb3 n GLY 484 N 0.96 1.35 0.35 0.06 0.00 -1.26 -4.99 105.19 101.65 1sb3 n GLY 484 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.17 1sb3 n GLY 484 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1sb3 h SER 485 N 0.00 0.25 -0.12 1.61 4.64 -1.92 0.17 113.55 118.18 1sb3 h SER 485 Ca 0.00 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1sb3 h SER 485 Cb 0.00 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 1sb3 h SER 485 CO 0.00 0.15 -0.15 0.78 -0.87 0.00 0.00 176.83 176.75 1sb3 h ASN 486 N 0.28 0.47 -0.01 4.97 2.35 -1.94 -0.63 115.58 121.07 1sb3 h ASN 486 Ca 0.24 -0.13 -0.09 0.00 -0.55 0.00 0.00 56.30 55.77 1sb3 h ASN 486 Cb 0.57 -0.13 0.01 0.00 0.05 0.00 0.00 38.32 38.82 1sb3 h ASN 486 CO -0.05 0.64 -0.33 0.74 -1.65 0.00 0.00 177.43 176.78 1sb3 h THR 487 N 0.44 1.50 -0.14 2.81 2.02 -1.37 -2.88 112.91 115.29 1sb3 h THR 487 Ca 0.08 -1.93 0.05 0.00 0.77 0.00 0.00 66.41 65.38 1sb3 h THR 487 Cb 0.52 2.65 -0.05 0.00 -1.74 0.00 0.00 68.15 69.52 1sb3 h THR 487 CO 0.03 0.54 -0.21 -0.03 0.37 0.00 0.00 175.52 176.23 1sb3 h MET 488 N -0.36 -0.25 -0.63 6.66 1.85 -0.51 0.85 114.93 122.54 1sb3 h MET 488 Ca -0.04 0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.06 1sb3 h MET 488 Cb 1.06 0.06 -0.03 0.00 0.43 0.00 0.00 31.60 33.11 1sb3 h MET 488 CO 0.07 -0.17 0.35 0.00 -0.40 0.00 0.00 176.91 176.76 1sb3 h ALA 489 N 0.74 1.43 -0.26 0.39 0.00 -1.22 -2.42 119.26 117.93 1sb3 h ALA 489 Ca 0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1sb3 h ALA 489 Cb 0.41 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1sb3 h ALA 489 CO -0.29 0.47 0.08 0.77 0.00 0.00 0.00 179.25 180.29 1sb3 h SER 490 N 0.88 0.38 -0.37 0.00 0.02 -1.06 -2.71 113.55 110.68 1sb3 h SER 490 Ca 0.23 -0.21 0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1sb3 h SER 490 Cb 0.01 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 1sb3 h SER 490 CO -0.04 0.49 0.19 1.56 -1.14 0.00 0.00 176.83 177.89 1sb3 h GLN 491 N 0.26 0.38 -0.07 3.45 4.20 -0.46 0.54 115.11 123.41 1sb3 h GLN 491 Ca 0.08 -0.02 -0.19 0.00 0.06 0.00 0.00 58.65 58.58 1sb3 h GLN 491 Cb 0.24 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 1sb3 h GLN 491 CO -0.00 0.25 -0.75 -0.39 -0.67 0.00 0.00 178.83 177.27 1sb3 h VAL 492 N 0.40 1.38 -0.30 -0.54 -1.51 -1.46 -1.09 116.25 113.12 1sb3 h VAL 492 Ca 0.16 -2.17 -0.14 0.00 -1.23 0.00 0.00 66.70 63.31 1sb3 h VAL 492 Cb 0.05 2.14 -0.00 0.00 -2.13 0.00 0.00 31.29 31.35 1sb3 h VAL 492 CO -0.10 0.65 -0.37 0.00 -1.23 0.00 0.00 177.57 176.52 1sb3 h ALA 493 N 0.90 0.45 -0.71 5.19 0.00 -1.38 -2.39 119.26 121.32 1sb3 h ALA 493 Ca -0.04 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 1sb3 h ALA 493 Cb 1.34 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1sb3 h ALA 493 CO 0.13 0.54 0.21 0.00 0.00 0.00 0.00 179.25 180.13 1sb3 h ALA 494 N 0.70 1.04 -0.27 0.00 0.00 -0.79 -1.74 119.26 118.20 1sb3 h ALA 494 Ca 0.04 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1sb3 h ALA 494 Cb 0.96 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1sb3 h ALA 494 CO 0.09 0.64 0.15 1.49 0.00 0.00 0.00 179.25 181.62 1sb3 h GLU 495 N 1.05 0.30 -0.41 0.00 4.57 -1.09 0.19 114.58 119.19 1sb3 h GLU 495 Ca 0.23 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1sb3 h GLU 495 Cb 0.31 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 1sb3 h GLU 495 CO -0.01 0.20 0.26 0.28 -1.18 0.00 0.00 179.01 178.56 1sb3 h VAL 496 N 0.31 1.13 0.00 0.32 2.07 -1.19 -2.73 116.25 116.15 1sb3 h VAL 496 Ca 0.11 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1sb3 h VAL 496 Cb 0.01 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1sb3 h VAL 496 CO -0.06 0.13 0.00 0.18 0.02 0.00 0.00 177.57 177.83 1sb3 n LEU 497 N -4.77 0.00 -1.21 2.57 4.77 -0.68 -4.90 117.00 112.78 1sb3 n LEU 497 Ca 0.01 0.36 -0.14 0.00 -0.03 0.00 0.00 56.01 56.21 1sb3 n LEU 497 Cb 0.04 -0.36 -0.04 0.00 -2.33 0.00 0.00 43.42 40.74 1sb3 n LEU 497 CO 0.35 -0.02 -0.14 0.61 -1.33 0.00 0.00 177.39 176.86 1sb3 n GLY 498 N 1.21 0.88 3.91 -0.72 0.00 0.60 -4.84 105.19 106.22 1sb3 n GLY 498 Ca 0.11 -0.36 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 1sb3 n GLY 498 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sb3 s VAL 499 N -2.56 2.26 0.37 1.61 -7.23 -0.73 -1.63 120.40 112.48 1sb3 s VAL 499 Ca 0.00 -1.34 -0.16 0.00 -1.81 0.00 0.00 61.98 58.67 1sb3 s VAL 499 Cb 0.00 -2.60 -0.09 0.00 0.56 0.00 0.00 36.38 34.25 1sb3 s VAL 499 CO 0.00 0.00 0.80 -0.13 -0.31 0.00 0.00 175.10 175.46 1sb3 s ARG 500 N -4.25 4.01 0.28 4.82 0.52 -1.26 -4.60 118.95 118.47 1sb3 s ARG 500 Ca 0.45 0.75 0.03 0.00 -0.52 0.00 0.00 55.73 56.44 1sb3 s ARG 500 Cb -0.03 -2.35 0.67 0.00 0.52 0.00 0.00 34.95 33.75 1sb3 s ARG 500 CO 0.27 0.06 1.73 1.25 0.02 0.00 0.00 175.30 178.64 1sb3 h LEU 501 N 1.94 0.50 -2.39 2.53 5.85 -1.94 -0.82 115.31 120.98 1sb3 h LEU 501 Ca -0.48 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1sb3 h LEU 501 Cb 1.18 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1sb3 h LEU 501 CO 0.64 0.13 0.00 0.77 -0.34 0.00 0.00 178.44 179.64 1sb3 h SER 502 N 0.55 0.00 0.81 1.25 4.64 -1.98 -1.38 113.55 117.44 1sb3 h SER 502 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 1sb3 h SER 502 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1sb3 h SER 502 CO -0.44 0.00 0.00 -1.14 -0.87 0.00 0.00 176.83 174.38 1sb3 n ARG 503 N -2.80 0.01 -3.78 4.77 0.63 -0.31 -4.75 116.66 110.42 1sb3 n ARG 503 Ca -0.02 0.10 -0.36 0.00 -0.92 0.00 0.00 57.85 56.65 1sb3 n ARG 503 Cb 0.07 -1.51 -0.11 0.00 0.45 0.00 0.00 32.46 31.36 1sb3 n ARG 503 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1sb3 s ILE 504 N -3.00 4.66 -0.23 5.15 1.01 -0.52 -1.33 121.20 126.94 1sb3 s ILE 504 Ca 0.11 -0.06 -0.09 0.00 0.00 0.00 0.00 60.65 60.61 1sb3 s ILE 504 Cb 0.15 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 1sb3 s ILE 504 CO 0.43 0.35 0.12 -0.13 0.00 0.00 0.00 174.94 175.71 1sb3 s ARG 505 N 1.34 3.98 -0.22 2.79 0.52 -0.09 -4.97 118.95 122.31 1sb3 s ARG 505 Ca 0.06 -0.32 -0.10 0.00 -0.52 0.00 0.00 55.73 54.85 1sb3 s ARG 505 Cb -0.15 -3.43 -0.05 0.00 0.52 0.00 0.00 34.95 31.84 1sb3 s ARG 505 CO 0.05 0.07 0.13 0.08 0.02 0.00 0.00 175.30 175.64 1sb3 s VAL 506 N 0.99 5.20 -0.17 3.52 1.01 -1.26 -0.28 120.40 129.41 1sb3 s VAL 506 Ca 0.06 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.13 1sb3 s VAL 506 Cb -0.14 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 1sb3 s VAL 506 CO 0.04 0.39 -0.06 -0.63 0.00 0.00 0.00 175.10 174.84 1sb3 s ILE 507 N 0.76 3.52 0.03 2.22 -1.09 -0.13 -4.96 121.20 121.55 1sb3 s ILE 507 Ca 0.07 -0.47 -0.02 0.00 -2.23 0.00 0.00 60.65 58.00 1sb3 s ILE 507 Cb -0.13 -2.55 -0.02 0.00 -1.58 0.00 0.00 42.46 38.18 1sb3 s ILE 507 CO 0.02 0.47 0.00 -0.94 -1.23 0.00 0.00 174.94 173.26 1sb3 s SER 508 N 0.79 0.26 -1.18 3.58 1.04 -1.26 -2.11 113.70 114.81 1sb3 s SER 508 Ca -0.02 -0.57 -0.20 0.00 0.48 0.00 0.00 55.95 55.64 1sb3 s SER 508 Cb -0.15 0.15 -0.00 0.00 0.10 0.00 0.00 66.02 66.12 1sb3 s SER 508 CO 0.02 -0.39 0.74 0.00 0.98 0.00 0.00 173.24 174.58 1sb3 n ALA 509 N 1.19 -2.50 -3.53 5.32 0.00 -0.56 -4.79 120.51 115.64 1sb3 n ALA 509 Ca -0.21 -0.28 -0.23 0.00 0.00 0.00 0.00 53.44 52.71 1sb3 n ALA 509 Cb 0.57 -3.66 -0.14 0.00 0.00 0.00 0.00 19.45 16.21 1sb3 n ALA 509 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1sb3 s ASP 510 N -3.58 2.32 0.60 0.00 -1.08 -1.26 -1.53 116.67 112.14 1sb3 s ASP 510 Ca 0.42 -0.72 0.28 0.00 -0.52 0.00 0.00 52.55 52.02 1sb3 s ASP 510 Cb -0.16 0.00 1.42 0.00 -1.46 0.00 0.00 42.92 42.73 1sb3 s ASP 510 CO 0.88 -0.37 1.83 0.77 0.52 0.00 0.00 175.17 178.79 1sb3 h SER 511 N 8.37 0.00 1.45 -0.34 4.64 -1.51 0.50 113.55 126.65 1sb3 h SER 511 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1sb3 h SER 511 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1sb3 h SER 511 CO 0.34 0.00 -0.05 0.00 -0.87 0.00 0.00 176.83 176.24 1sb3 n ALA 512 N -2.26 2.33 0.00 5.18 0.00 -1.26 -4.36 120.51 120.14 1sb3 n ALA 512 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1sb3 n ALA 512 Cb 0.71 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1sb3 n ALA 512 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sb3 n LEU 513 N -2.28 0.21 -4.75 0.00 4.77 -0.05 -5.09 117.00 109.80 1sb3 n LEU 513 Ca 0.05 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.72 1sb3 n LEU 513 Cb 0.44 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.45 1sb3 n LEU 513 CO 0.31 0.03 -0.28 0.42 -1.33 0.00 0.00 177.39 176.54 1sb3 s THR 514 N -1.76 4.44 0.38 -5.08 -4.23 -0.03 -4.96 115.64 104.40 1sb3 s THR 514 Ca 0.00 -0.70 -0.27 0.00 -1.18 0.00 0.00 61.69 59.54 1sb3 s THR 514 Cb 0.00 -3.09 -0.09 0.00 1.34 0.00 0.00 72.50 70.65 1sb3 s THR 514 CO 0.00 0.21 1.34 -2.16 -0.54 0.00 0.00 174.62 173.47 1sb3 s PRO 515 N -2.13 4.08 0.45 3.99 0.04 -1.26 -4.67 135.00 135.50 1sb3 s PRO 515 Ca 0.26 2.26 -0.24 0.00 0.04 0.00 0.00 61.00 63.32 1sb3 s PRO 515 Cb -0.12 -2.87 -0.09 0.00 0.04 0.00 0.00 34.50 31.46 1sb3 s PRO 515 CO 0.18 -0.44 1.14 1.17 0.04 0.00 0.00 177.00 179.09 1sb3 n LYS 516 N 0.34 1.57 -4.22 4.56 0.00 -1.26 -1.62 118.16 117.53 1sb3 n LYS 516 Ca 0.02 0.56 -0.17 0.00 0.00 0.00 0.00 58.31 58.72 1sb3 n LYS 516 Cb 0.42 -2.23 -0.13 0.00 0.00 0.00 0.00 35.03 33.09 1sb3 n LYS 516 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1sb3 s ASP 517 N -0.72 1.28 0.42 3.14 -1.08 -1.26 -4.43 116.67 114.02 1sb3 s ASP 517 Ca 0.64 -0.44 0.29 0.00 -0.52 0.00 0.00 52.55 52.52 1sb3 s ASP 517 Cb -0.51 -0.06 1.20 0.00 -1.46 0.00 0.00 42.92 42.09 1sb3 s ASP 517 CO 0.56 -0.04 1.86 0.78 0.52 0.00 0.00 175.17 178.85 1sb3 h ASN 518 N 4.91 0.00 -4.68 -0.34 2.35 -1.92 -3.41 115.58 112.50 1sb3 h ASN 518 Ca -0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 1sb3 h ASN 518 Cb 1.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.56 1sb3 h ASN 518 CO 0.44 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.83 1sb3 n GLY 519 N 0.02 3.50 3.37 2.83 0.00 -1.26 -4.78 105.19 108.86 1sb3 n GLY 519 Ca 0.01 -1.85 -0.45 0.00 0.00 0.00 0.00 46.02 43.73 1sb3 n GLY 519 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sb3 s SER 520 N 0.00 7.05 0.03 1.61 0.01 -0.75 -4.72 113.70 116.93 1sb3 s SER 520 Ca 0.00 -3.07 -0.10 0.00 1.31 0.00 0.00 55.95 54.09 1sb3 s SER 520 Cb 0.00 -2.26 0.01 0.00 0.21 0.00 0.00 66.02 63.97 1sb3 s SER 520 CO 0.00 -0.53 0.20 -0.72 0.41 0.00 0.00 173.24 172.61 1sb3 s TYR 521 N 0.04 0.03 -1.66 2.43 -0.85 -1.26 -4.90 117.35 111.17 1sb3 s TYR 521 Ca 0.29 -0.22 0.00 0.00 -0.52 0.00 0.00 57.07 56.63 1sb3 s TYR 521 Cb -0.08 -0.01 0.00 0.00 0.38 0.00 0.00 41.96 42.24 1sb3 s TYR 521 CO -0.07 -0.42 0.00 -1.13 -1.52 0.00 0.00 175.55 172.41 1sb3 n SER 522 N 0.77 -4.75 -3.89 -0.18 3.41 -1.26 -2.37 113.62 105.35 1sb3 n SER 522 Ca -0.19 0.27 -0.28 0.00 -0.26 0.00 0.00 58.87 58.41 1sb3 n SER 522 Cb 0.58 -4.14 0.02 0.00 -0.26 0.00 0.00 64.21 60.41 1sb3 n SER 522 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1sb3 n SER 523 N -1.38 -3.25 0.09 4.04 7.64 -1.26 0.23 113.62 119.74 1sb3 n SER 523 Ca -0.19 -0.83 0.12 0.00 1.01 0.00 0.00 58.87 58.97 1sb3 n SER 523 Cb 0.60 -3.74 0.01 0.00 -1.01 0.00 0.00 64.21 60.07 1sb3 n SER 523 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1sb3 n ARG 524 N -4.52 0.57 0.21 1.43 1.85 -1.00 -2.14 116.66 113.06 1sb3 n ARG 524 Ca -0.08 0.10 -0.15 0.00 -1.00 0.00 0.00 57.85 56.72 1sb3 n ARG 524 Cb 0.58 -1.80 -0.08 0.00 -1.05 0.00 0.00 32.46 30.11 1sb3 n ARG 524 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1sb3 h VAL 525 N 0.00 0.66 -0.10 8.89 2.07 -1.84 -0.82 116.25 125.11 1sb3 h VAL 525 Ca 0.00 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.45 1sb3 h VAL 525 Cb 0.97 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1sb3 h VAL 525 CO 0.00 0.02 -0.03 0.74 0.02 0.00 0.00 177.57 178.32 1sb3 h THR 526 N -0.52 0.88 0.29 2.57 2.02 -1.96 0.14 112.91 116.33 1sb3 h THR 526 Ca -0.05 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1sb3 h THR 526 Cb 0.39 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1sb3 h THR 526 CO 0.08 0.00 -0.14 0.15 0.37 0.00 0.00 175.52 175.98 1sb3 h PHE 527 N -0.01 -0.36 0.04 3.16 3.57 -1.82 0.76 116.94 122.28 1sb3 h PHE 527 Ca 0.05 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 1sb3 h PHE 527 Cb 0.09 0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1sb3 h PHE 527 CO -0.15 -0.21 -0.24 0.52 -2.23 0.00 0.00 178.31 175.99 1sb3 h MET 528 N -0.41 0.07 0.00 1.11 2.86 -1.11 -2.77 114.93 114.69 1sb3 h MET 528 Ca -0.04 -0.13 -0.09 0.00 -2.06 0.00 0.00 59.70 57.38 1sb3 h MET 528 Cb 0.31 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1sb3 h MET 528 CO 0.07 1.06 -0.44 0.28 1.06 0.00 0.00 176.91 178.94 1sb3 h VAL 529 N -0.84 0.93 -0.27 -2.22 2.07 -0.85 -1.00 116.25 114.07 1sb3 h VAL 529 Ca -0.05 -1.77 -0.06 0.00 0.82 0.00 0.00 66.70 65.65 1sb3 h VAL 529 Cb 1.17 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 33.01 1sb3 h VAL 529 CO 0.03 0.43 -0.06 1.23 0.02 0.00 0.00 177.57 179.22 1sb3 h GLY 530 N 2.40 0.56 0.99 2.17 0.00 -0.71 0.14 103.07 108.62 1sb3 h GLY 530 Ca -0.00 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 46.81 1sb3 h GLY 530 CO 0.06 0.42 0.09 3.43 0.00 0.00 0.00 176.54 180.54 1sb3 h ASN 531 N 0.27 0.81 -0.72 0.19 -0.26 -1.34 0.75 115.58 115.27 1sb3 h ASN 531 Ca 0.07 -0.25 -0.04 0.00 -0.56 0.00 0.00 56.30 55.51 1sb3 h ASN 531 Cb 0.53 -0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 37.54 1sb3 h ASN 531 CO 0.03 0.86 0.28 0.00 -1.06 0.00 0.00 177.43 177.54 1sb3 h ALA 532 N 0.98 1.11 -0.41 -0.83 0.00 -1.08 -0.58 119.26 118.44 1sb3 h ALA 532 Ca 0.16 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1sb3 h ALA 532 Cb 0.39 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1sb3 h ALA 532 CO 0.01 0.63 -0.02 1.03 0.00 0.00 0.00 179.25 180.90 1sb3 h SER 533 N 1.07 0.73 -0.50 0.00 0.87 -0.30 -0.96 113.55 114.46 1sb3 h SER 533 Ca 0.25 -0.32 0.02 0.00 -1.23 0.00 0.00 61.79 60.51 1sb3 h SER 533 Cb 0.22 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 1sb3 h SER 533 CO -0.02 0.87 0.30 0.40 -0.53 0.00 0.00 176.83 177.86 1sb3 h ILE 534 N 0.57 1.06 -0.68 2.23 2.04 -0.44 -1.16 117.51 121.13 1sb3 h ILE 534 Ca 0.12 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 65.79 1sb3 h ILE 534 Cb 0.51 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 1sb3 h ILE 534 CO 0.02 0.11 0.44 -1.28 0.00 0.00 0.00 178.15 177.44 1sb3 h SER 535 N 0.60 0.73 -0.46 1.72 0.87 -0.86 -0.25 113.55 115.90 1sb3 h SER 535 Ca 0.20 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.69 1sb3 h SER 535 Cb 0.01 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 1sb3 h SER 535 CO -0.09 0.52 0.07 0.00 -0.53 0.00 0.00 176.83 176.80 1sb3 h ALA 536 N 1.27 0.62 -0.49 6.23 0.00 -0.73 -2.44 119.26 123.71 1sb3 h ALA 536 Ca 0.26 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1sb3 h ALA 536 Cb -0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1sb3 h ALA 536 CO -0.08 0.35 0.19 0.00 0.00 0.00 0.00 179.25 179.70 1sb3 h ALA 537 N 0.95 1.41 -0.58 0.00 0.00 -0.70 -1.47 119.26 118.88 1sb3 h ALA 537 Ca 0.14 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1sb3 h ALA 537 Cb 0.40 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1sb3 h ALA 537 CO 0.01 0.45 0.03 0.93 0.00 0.00 0.00 179.25 180.67 1sb3 h GLU 538 N 0.70 0.97 -0.13 0.00 5.08 -0.79 0.29 114.58 120.71 1sb3 h GLU 538 Ca 0.17 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1sb3 h GLU 538 Cb 0.15 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1sb3 h GLU 538 CO -0.02 0.94 0.08 0.93 -1.00 0.00 0.00 179.01 179.94 1sb3 h GLU 539 N 0.90 0.15 -0.41 2.33 4.39 -0.85 -1.39 114.58 119.70 1sb3 h GLU 539 Ca 0.17 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.80 1sb3 h GLU 539 Cb 0.48 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1sb3 h GLU 539 CO 0.02 0.10 0.02 1.25 -1.16 0.00 0.00 179.01 179.24 1sb3 h LEU 540 N 0.16 0.70 -0.95 1.33 5.85 -1.00 -2.62 115.31 118.78 1sb3 h LEU 540 Ca 0.05 -0.29 0.09 0.00 0.84 0.00 0.00 57.88 58.56 1sb3 h LEU 540 Cb -0.01 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 40.76 1sb3 h LEU 540 CO -0.02 0.82 0.59 0.50 -0.34 0.00 0.00 178.44 179.99 1sb3 h LYS 541 N 0.56 0.99 -0.56 1.25 3.64 -0.26 -1.05 116.57 121.13 1sb3 h LYS 541 Ca 0.12 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1sb3 h LYS 541 Cb 0.45 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1sb3 h LYS 541 CO 0.02 0.65 0.29 0.78 -2.27 0.00 0.00 179.45 178.92 1sb3 h GLY 542 N 1.02 0.86 1.00 5.01 0.00 -1.02 0.20 103.07 110.14 1sb3 h GLY 542 Ca 0.44 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 1sb3 h GLY 542 CO -0.22 0.39 0.37 -2.08 0.00 0.00 0.00 176.54 175.01 1sb3 h VAL 543 N 0.76 1.21 -0.34 4.60 2.07 -0.93 -2.23 116.25 121.40 1sb3 h VAL 543 Ca 0.20 -0.52 -0.16 0.00 0.82 0.00 0.00 66.70 67.04 1sb3 h VAL 543 Cb 0.09 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1sb3 h VAL 543 CO -0.03 0.23 -0.40 -0.07 0.02 0.00 0.00 177.57 177.31 1sb3 h LEU 544 N 0.91 0.94 -0.85 2.57 3.38 -0.79 -2.81 115.31 118.66 1sb3 h LEU 544 Ca 0.24 -0.49 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 1sb3 h LEU 544 Cb 0.03 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 1sb3 h LEU 544 CO -0.04 1.24 0.41 0.58 0.09 0.00 0.00 178.44 180.71 1sb3 h VAL 545 N 0.66 1.26 -0.45 1.22 2.07 -0.53 0.13 116.25 120.61 1sb3 h VAL 545 Ca 0.04 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1sb3 h VAL 545 Cb 1.00 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1sb3 h VAL 545 CO 0.10 0.32 0.24 0.50 0.02 0.00 0.00 177.57 178.75 1sb3 h LYS 546 N 1.21 0.63 -0.32 1.57 3.64 -1.36 0.26 116.57 122.21 1sb3 h LYS 546 Ca 0.29 -0.08 -0.11 0.00 -1.27 0.00 0.00 60.65 59.48 1sb3 h LYS 546 Cb 0.12 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1sb3 h LYS 546 CO -0.04 0.51 -0.27 0.00 -2.27 0.00 0.00 179.45 177.38 1sb3 h ALA 547 N 1.09 0.93 -0.45 5.00 0.00 -1.18 -2.02 119.26 122.64 1sb3 h ALA 547 Ca 0.16 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 1sb3 h ALA 547 Cb 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1sb3 h ALA 547 CO -0.02 0.61 -0.28 0.00 0.00 0.00 0.00 179.25 179.56 1sb3 h ALA 548 N 1.14 0.64 -0.26 0.00 0.00 -0.06 -2.13 119.26 118.59 1sb3 h ALA 548 Ca 0.07 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1sb3 h ALA 548 Cb 0.75 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1sb3 h ALA 548 CO 0.06 0.67 0.16 0.00 0.00 0.00 0.00 179.25 180.14 1sb3 h ALA 549 N 0.83 0.33 -0.51 0.00 0.00 -0.40 0.14 119.26 119.65 1sb3 h ALA 549 Ca 0.09 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1sb3 h ALA 549 Cb 0.87 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1sb3 h ALA 549 CO 0.08 -0.19 0.29 -0.22 0.00 0.00 0.00 179.25 179.21 1sb3 h LYS 550 N 0.34 0.55 0.00 0.00 3.64 -1.31 0.28 116.57 120.06 1sb3 h LYS 550 Ca 0.09 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.33 1sb3 h LYS 550 Cb -0.01 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1sb3 h LYS 550 CO -0.02 0.36 -0.51 -0.22 -2.27 0.00 0.00 179.45 176.79 1sb3 h LYS 551 N 0.56 0.00 -0.01 1.90 3.64 -1.01 -2.93 116.57 118.73 1sb3 h LYS 551 Ca 0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1sb3 h LYS 551 Cb 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1sb3 h LYS 551 CO -0.12 0.51 -0.28 1.28 -2.27 0.00 0.00 179.45 178.57 1sb3 n LEU 552 N -3.51 1.07 -3.57 5.20 4.77 0.45 -4.94 117.00 116.47 1sb3 n LEU 552 Ca -0.00 -0.29 -0.23 0.00 -0.03 0.00 0.00 56.01 55.46 1sb3 n LEU 552 Cb 0.62 -0.12 0.08 0.00 -2.33 0.00 0.00 43.42 41.67 1sb3 n LEU 552 CO 0.40 0.20 0.24 0.47 -1.33 0.00 0.00 177.39 177.36 1sb3 n ASP 553 N -0.64 -6.01 -4.60 -1.43 8.00 0.81 -5.00 116.55 107.69 1sb3 n ASP 553 Ca 0.12 -0.54 -0.30 0.00 0.71 0.00 0.00 54.79 54.77 1sb3 n ASP 553 Cb 0.35 -5.02 -0.08 0.00 -0.02 0.00 0.00 41.12 36.35 1sb3 n ASP 553 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sb3 s ALA 554 N -3.32 3.66 0.30 2.24 0.00 -0.16 -5.03 121.76 119.44 1sb3 s ALA 554 Ca 0.54 -0.90 -0.15 0.00 0.00 0.00 0.00 51.96 51.45 1sb3 s ALA 554 Cb -0.24 0.22 -0.09 0.00 0.00 0.00 0.00 23.12 23.02 1sb3 s ALA 554 CO 0.73 -0.11 0.71 1.03 0.00 0.00 0.00 175.76 178.11 1sb3 s ARG 555 N -3.82 4.00 0.41 0.00 0.52 -1.26 -4.49 118.95 114.31 1sb3 s ARG 555 Ca 0.15 0.64 0.08 0.00 -0.52 0.00 0.00 55.73 56.07 1sb3 s ARG 555 Cb 0.03 -2.52 0.85 0.00 0.52 0.00 0.00 34.95 33.84 1sb3 s ARG 555 CO 0.08 0.21 2.03 0.93 0.02 0.00 0.00 175.30 178.57 1sb3 h GLU 556 N 2.45 0.46 0.00 3.54 5.08 -1.93 -1.76 114.58 122.43 1sb3 h GLU 556 Ca -0.48 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 57.83 1sb3 h GLU 556 Cb 1.18 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 1sb3 h GLU 556 CO 0.66 0.36 -0.06 0.93 -1.00 0.00 0.00 179.01 179.89 1sb3 h GLU 557 N 0.47 0.00 0.00 2.33 3.07 -1.97 -2.64 114.58 115.83 1sb3 h GLU 557 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1sb3 h GLU 557 Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1sb3 h GLU 557 CO -0.02 0.06 -0.01 -0.44 -1.40 0.00 0.00 179.01 177.20 1sb3 h ASP 558 N 0.00 0.00 -3.11 1.42 3.45 -1.71 -3.46 116.42 113.01 1sb3 h ASP 558 Ca -0.00 -0.00 -0.54 0.00 0.43 0.00 0.00 57.03 56.92 1sb3 h ASP 558 Cb 0.43 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.20 1sb3 h ASP 558 CO 0.01 0.00 0.64 -0.63 -1.57 0.00 0.00 179.24 177.69 1sb3 s ILE 559 N -3.20 3.90 -0.01 0.35 -1.09 -1.00 0.75 121.20 120.90 1sb3 s ILE 559 Ca 0.07 1.34 0.07 0.00 -2.23 0.00 0.00 60.65 59.91 1sb3 s ILE 559 Cb 0.06 -3.86 -0.02 0.00 -1.58 0.00 0.00 42.46 37.06 1sb3 s ILE 559 CO 0.66 0.08 -0.24 -1.61 -1.23 0.00 0.00 174.94 172.60 1sb3 s GLU 560 N 1.40 2.14 -0.29 2.79 2.02 0.66 -4.86 118.70 122.55 1sb3 s GLU 560 Ca 0.60 -0.92 -0.03 0.00 0.02 0.00 0.00 54.97 54.64 1sb3 s GLU 560 Cb -0.30 -2.10 0.04 0.00 0.10 0.00 0.00 34.13 31.87 1sb3 s GLU 560 CO 0.28 0.56 0.01 0.08 0.02 0.00 0.00 175.26 176.21 1sb3 s VAL 561 N -0.67 3.20 -0.09 2.63 1.01 -1.26 -1.41 120.40 123.81 1sb3 s VAL 561 Ca 0.11 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.93 1sb3 s VAL 561 Cb -0.10 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.55 1sb3 s VAL 561 CO -0.00 -0.01 -0.07 -0.63 0.00 0.00 0.00 175.10 174.38 1sb3 s ILE 562 N 1.33 0.90 -1.24 2.22 1.01 -0.56 -4.73 121.20 120.13 1sb3 s ILE 562 Ca -0.02 -0.26 -0.33 0.00 0.00 0.00 0.00 60.65 60.04 1sb3 s ILE 562 Cb -0.19 -0.91 0.04 0.00 0.01 0.00 0.00 42.46 41.42 1sb3 s ILE 562 CO -0.01 0.33 0.63 0.47 0.00 0.00 0.00 174.94 176.36 1sb3 n ASP 563 N 4.54 -3.74 -2.38 3.58 9.92 -1.24 -1.09 116.55 126.14 1sb3 n ASP 563 Ca -0.16 -1.31 -0.21 0.00 -0.53 0.00 0.00 54.79 52.58 1sb3 n ASP 563 Cb 0.51 -1.64 -0.01 0.00 -0.64 0.00 0.00 41.12 39.33 1sb3 n ASP 563 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1sb3 n GLU 564 N -5.05 -1.78 -4.82 -1.24 1.02 -0.65 -4.98 120.64 103.14 1sb3 n GLU 564 Ca -0.13 1.00 -0.26 0.00 -0.02 0.00 0.00 57.16 57.75 1sb3 n GLU 564 Cb 0.57 -5.65 -0.16 0.00 -0.02 0.00 0.00 31.44 26.18 1sb3 n GLU 564 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1sb3 s MET 565 N -5.06 1.72 -0.29 3.49 -1.94 -0.25 -0.75 119.30 116.22 1sb3 s MET 565 Ca 0.01 -0.60 -0.08 0.00 -1.71 0.00 0.00 55.69 53.31 1sb3 s MET 565 Cb -0.01 -1.51 -0.01 0.00 2.01 0.00 0.00 34.83 35.31 1sb3 s MET 565 CO 0.01 0.25 0.11 -0.06 -0.01 0.00 0.00 175.02 175.33 1sb3 s PHE 566 N 0.00 3.15 0.21 -0.03 0.40 0.12 -1.49 117.98 120.34 1sb3 s PHE 566 Ca -0.03 -0.68 0.01 0.00 -0.60 0.00 0.00 56.93 55.63 1sb3 s PHE 566 Cb -0.11 -2.30 -0.05 0.00 0.51 0.00 0.00 43.02 41.08 1sb3 s PHE 566 CO 0.02 -0.48 0.06 0.00 0.70 0.00 0.00 175.22 175.52 1sb3 s MET 567 N 1.57 1.25 -0.15 0.44 0.23 -0.50 -0.22 119.30 121.92 1sb3 s MET 567 Ca 0.04 -1.64 -0.26 0.00 -1.03 0.00 0.00 55.69 52.80 1sb3 s MET 567 Cb -0.17 -0.21 -0.02 0.00 -1.53 0.00 0.00 34.83 32.91 1sb3 s MET 567 CO 0.04 -0.23 0.87 0.08 -2.03 0.00 0.00 175.02 173.76 1sb3 s VAL 568 N -3.75 4.86 -0.00 5.16 1.01 -1.26 -0.25 120.40 126.17 1sb3 s VAL 568 Ca 0.31 1.74 -0.40 0.00 0.00 0.00 0.00 61.98 63.63 1sb3 s VAL 568 Cb 0.07 -4.18 -0.20 0.00 0.00 0.00 0.00 36.38 32.07 1sb3 s VAL 568 CO 0.09 0.03 1.08 -0.24 0.00 0.00 0.00 175.10 176.06 1sb3 n SER 569 N 5.08 0.04 0.00 3.32 2.88 0.23 -0.78 113.62 124.39 1sb3 n SER 569 Ca 0.05 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 1sb3 n SER 569 Cb 0.49 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 1sb3 n SER 569 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sb3 n GLY 570 N 1.54 0.00 3.78 0.46 0.00 -1.26 -4.97 105.19 104.74 1sb3 n GLY 570 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1sb3 n GLY 570 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sb3 s SER 571 N -1.96 4.45 0.12 1.61 0.15 0.04 -4.95 113.70 113.16 1sb3 s SER 571 Ca 0.00 1.53 0.24 0.00 0.70 0.00 0.00 55.95 58.42 1sb3 s SER 571 Cb 0.00 -2.28 0.39 0.00 -1.71 0.00 0.00 66.02 62.42 1sb3 s SER 571 CO 0.00 -2.03 1.36 0.00 1.20 0.00 0.00 173.24 173.78 1sb3 n GLN 572 N -3.49 0.28 -3.07 5.44 10.64 -1.26 -4.81 117.38 121.11 1sb3 n GLN 572 Ca 0.08 0.09 -0.40 0.00 -1.83 0.00 0.00 57.00 54.94 1sb3 n GLN 572 Cb 0.55 -1.69 -0.05 0.00 -0.86 0.00 0.00 30.24 28.19 1sb3 n GLN 572 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1sb3 s ASP 573 N -4.21 6.87 0.54 2.61 2.15 -1.26 -4.98 116.67 118.40 1sb3 s ASP 573 Ca 0.07 1.06 0.28 0.00 0.43 0.00 0.00 52.55 54.38 1sb3 s ASP 573 Cb 0.13 -2.39 1.54 0.00 -0.30 0.00 0.00 42.92 41.91 1sb3 s ASP 573 CO 0.71 -0.18 2.12 -0.65 -0.17 0.00 0.00 175.17 177.00 1sb3 h PRO 574 N 7.02 0.00 0.00 4.34 0.11 -1.96 -3.41 132.00 138.09 1sb3 h PRO 574 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1sb3 h PRO 574 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1sb3 h PRO 574 CO 0.77 0.09 0.00 0.41 -0.21 0.00 0.00 178.00 179.06 1sb3 n GLY 575 N -0.86 -0.11 3.78 -0.55 0.00 -1.26 -4.29 105.19 101.89 1sb3 n GLY 575 Ca -0.02 -1.67 -0.34 0.00 0.00 0.00 0.00 46.02 43.99 1sb3 n GLY 575 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sb3 s LEU 576 N 0.00 3.91 0.67 0.99 1.43 0.69 -4.90 118.68 121.48 1sb3 s LEU 576 Ca 0.00 0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.17 1sb3 s LEU 576 Cb 0.00 -2.21 -0.00 0.00 0.03 0.00 0.00 46.19 44.01 1sb3 s LEU 576 CO 0.00 0.30 1.05 -0.94 0.23 0.00 0.00 176.35 176.99 1sb3 s SER 577 N -1.58 5.56 0.23 2.29 1.04 -1.26 0.14 113.70 120.12 1sb3 s SER 577 Ca 0.21 1.61 -0.06 0.00 0.48 0.00 0.00 55.95 58.19 1sb3 s SER 577 Cb -0.12 -2.49 0.36 0.00 0.10 0.00 0.00 66.02 63.87 1sb3 s SER 577 CO 0.12 -1.32 1.78 0.15 0.98 0.00 0.00 173.24 174.95 1sb3 h PHE 578 N -0.53 0.68 -0.41 5.02 3.57 -1.32 -1.68 116.94 122.27 1sb3 h PHE 578 Ca -0.44 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.04 1sb3 h PHE 578 Cb 1.21 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 1sb3 h PHE 578 CO 0.62 0.24 0.04 0.37 -2.23 0.00 0.00 178.31 177.36 1sb3 h GLN 579 N 0.63 0.64 -0.56 1.11 5.75 -1.92 -0.14 115.11 120.62 1sb3 h GLN 579 Ca 0.37 -0.14 -0.09 0.00 -0.15 0.00 0.00 58.65 58.64 1sb3 h GLN 579 Cb 0.39 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 1sb3 h GLN 579 CO -0.27 0.63 0.01 0.93 -2.65 0.00 0.00 178.83 177.48 1sb3 h GLU 580 N 0.62 0.98 -0.64 1.69 5.08 -1.70 -0.74 114.58 119.88 1sb3 h GLU 580 Ca 0.13 -0.31 -0.07 0.00 -1.00 0.00 0.00 59.36 58.12 1sb3 h GLU 580 Cb 0.33 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1sb3 h GLU 580 CO 0.01 0.98 0.14 0.28 -1.00 0.00 0.00 179.01 179.42 1sb3 h VAL 581 N 0.87 1.26 -0.51 3.13 2.07 -0.72 -0.19 116.25 122.15 1sb3 h VAL 581 Ca 0.16 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.75 1sb3 h VAL 581 Cb 0.53 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1sb3 h VAL 581 CO 0.03 0.36 0.29 0.58 0.02 0.00 0.00 177.57 178.84 1sb3 h VAL 582 N 0.95 1.02 -0.25 2.57 2.07 -0.88 0.56 116.25 122.28 1sb3 h VAL 582 Ca 0.20 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1sb3 h VAL 582 Cb 0.38 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1sb3 h VAL 582 CO 0.01 0.10 0.15 0.50 0.02 0.00 0.00 177.57 178.35 1sb3 h LYS 583 N 0.57 0.31 -0.69 1.57 3.64 -0.43 -1.16 116.57 120.37 1sb3 h LYS 583 Ca 0.21 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1sb3 h LYS 583 Cb 0.06 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 1sb3 h LYS 583 CO -0.12 0.20 0.37 0.00 -2.27 0.00 0.00 179.45 177.64 1sb3 h ALA 584 N 1.10 0.89 0.00 5.00 0.00 -0.47 -2.59 119.26 123.20 1sb3 h ALA 584 Ca 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1sb3 h ALA 584 Cb -0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1sb3 h ALA 584 CO -0.04 0.41 -0.07 0.00 0.00 0.00 0.00 179.25 179.56 1sb3 h ALA 585 N 1.19 1.09 0.00 0.00 0.00 0.70 -2.57 119.26 119.66 1sb3 h ALA 585 Ca 0.24 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1sb3 h ALA 585 Cb 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1sb3 h ALA 585 CO -0.04 0.08 -0.55 0.52 0.00 0.00 0.00 179.25 179.27 1sb3 h MET 586 N 0.00 0.00 -6.41 0.00 2.07 -0.81 -3.40 114.93 106.37 1sb3 h MET 586 Ca -0.00 0.00 -0.59 0.00 -2.07 0.00 0.00 59.70 57.04 1sb3 h MET 586 Cb 0.38 0.00 0.04 0.00 -1.87 0.00 0.00 31.60 30.15 1sb3 h MET 586 CO 0.01 0.55 0.97 0.28 1.07 0.00 0.00 176.91 179.78 1sb3 n VAL 587 N -3.59 0.29 -1.05 -2.22 0.31 -0.97 -0.35 118.33 110.75 1sb3 n VAL 587 Ca -0.00 -0.05 -0.02 0.00 -0.01 0.00 0.00 64.34 64.26 1sb3 n VAL 587 Cb 0.62 -1.77 -0.01 0.00 -0.91 0.00 0.00 33.84 31.77 1sb3 n VAL 587 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1sb3 n ASP 588 N 5.05 -5.25 0.04 4.52 10.43 -1.26 -4.72 116.55 125.36 1sb3 n ASP 588 Ca 0.19 0.05 0.00 0.00 2.57 0.00 0.00 54.79 57.60 1sb3 n ASP 588 Cb 0.30 -2.91 0.00 0.00 1.84 0.00 0.00 41.12 40.35 1sb3 n ASP 588 CO 0.00 0.00 0.00 -0.24 -1.07 0.00 0.00 177.20 175.89 1sb3 n SER 589 N -0.74 0.22 -0.11 -2.24 2.88 0.08 -5.14 113.62 108.57 1sb3 n SER 589 Ca -0.02 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1sb3 n SER 589 Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 1sb3 n SER 589 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sb3 n GLY 590 N 2.44 -1.37 3.64 0.46 0.00 0.53 -4.85 105.19 106.04 1sb3 n GLY 590 Ca 0.00 -1.26 -0.65 0.00 0.00 0.00 0.00 46.02 44.11 1sb3 n GLY 590 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sb3 n THR 591 N -0.22 0.00 -3.43 2.61 -1.04 -1.26 -4.77 114.28 106.17 1sb3 n THR 591 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 1sb3 n THR 591 Cb 0.00 -0.38 -0.06 0.00 -1.82 0.00 0.00 70.33 68.07 1sb3 n THR 591 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1sb3 s ILE 592 N 2.26 5.23 -0.05 12.58 1.01 0.05 -4.97 121.20 137.30 1sb3 s ILE 592 Ca 1.00 0.76 0.01 0.00 0.00 0.00 0.00 60.65 62.42 1sb3 s ILE 592 Cb -1.43 -3.72 0.02 0.00 0.01 0.00 0.00 42.46 37.34 1sb3 s ILE 592 CO 0.75 0.38 -0.05 0.42 0.00 0.00 0.00 174.94 176.44 1sb3 s THR 593 N 0.40 0.60 0.22 2.92 -4.23 -1.26 -0.96 115.64 113.34 1sb3 s THR 593 Ca 0.21 -0.14 0.07 0.00 -1.18 0.00 0.00 61.69 60.66 1sb3 s THR 593 Cb -0.14 -0.63 -0.05 0.00 1.34 0.00 0.00 72.50 73.02 1sb3 s THR 593 CO 0.08 0.25 -0.10 0.68 -0.54 0.00 0.00 174.62 174.98 1sb3 s VAL 594 N 1.06 1.61 -0.03 2.29 -7.23 -0.65 -4.99 120.40 112.47 1sb3 s VAL 594 Ca -0.09 -2.16 0.04 0.00 -1.81 0.00 0.00 61.98 57.96 1sb3 s VAL 594 Cb -0.14 -2.17 -0.00 0.00 0.56 0.00 0.00 36.38 34.63 1sb3 s VAL 594 CO -0.01 -0.50 -0.14 -0.75 -0.31 0.00 0.00 175.10 173.40 1sb3 s LYS 595 N -3.69 1.38 0.04 4.82 2.20 -1.26 -1.50 119.74 121.72 1sb3 s LYS 595 Ca 0.25 -0.48 0.07 0.00 -0.36 0.00 0.00 55.97 55.44 1sb3 s LYS 595 Cb 0.01 -1.24 -0.02 0.00 -1.51 0.00 0.00 37.83 35.07 1sb3 s LYS 595 CO 0.08 0.21 -0.19 0.20 -0.36 0.00 0.00 175.35 175.29 1sb3 s GLY 596 N 0.02 1.03 0.11 5.54 0.00 0.55 -4.58 107.32 109.98 1sb3 s GLY 596 Ca -0.02 -0.99 -0.02 0.00 0.00 0.00 0.00 44.72 43.69 1sb3 s GLY 596 CO 0.01 -0.93 0.07 -0.51 0.00 0.00 0.00 173.10 171.74 1sb3 s THR 597 N -0.80 0.14 -0.07 0.90 -4.23 -1.26 -0.55 115.64 109.77 1sb3 s THR 597 Ca 0.06 -1.76 -0.07 0.00 -1.18 0.00 0.00 61.69 58.74 1sb3 s THR 597 Cb -0.08 -1.80 0.02 0.00 1.34 0.00 0.00 72.50 71.97 1sb3 s THR 597 CO 0.02 -0.63 0.19 -0.47 -0.54 0.00 0.00 174.62 173.19 1sb3 s TYR 598 N -3.98 -0.20 -0.04 3.99 5.04 -0.40 -4.45 117.35 117.30 1sb3 s TYR 598 Ca 0.17 0.48 -0.01 0.00 -2.44 0.00 0.00 57.07 55.27 1sb3 s TYR 598 Cb 0.07 0.07 0.03 0.00 0.35 0.00 0.00 41.96 42.48 1sb3 s TYR 598 CO -0.03 -0.11 0.08 0.99 -1.34 0.00 0.00 175.55 175.14 1sb3 s THR 599 N 0.04 -0.07 0.16 4.34 2.01 -1.26 0.20 115.64 121.05 1sb3 s THR 599 Ca -0.01 0.23 -0.31 0.00 0.31 0.00 0.00 61.69 61.91 1sb3 s THR 599 Cb -0.02 -0.16 -0.10 0.00 0.01 0.00 0.00 72.50 72.24 1sb3 s THR 599 CO 0.00 0.10 1.56 0.00 -0.69 0.00 0.00 174.62 175.59 1sb3 s PRO 601 N 1.21 3.69 0.32 0.00 0.02 -1.26 -4.89 135.00 134.09 1sb3 s PRO 601 Ca 0.70 2.25 0.09 0.00 0.02 0.00 0.00 61.00 64.05 1sb3 s PRO 601 Cb -0.43 -2.60 0.90 0.00 0.02 0.00 0.00 34.50 32.39 1sb3 s PRO 601 CO 0.31 -0.75 1.68 1.15 -0.33 0.00 0.00 177.00 179.06 1sb3 h THR 602 N 2.17 0.39 -0.20 0.99 2.02 -1.97 -0.26 112.91 116.06 1sb3 h THR 602 Ca -0.50 -0.13 0.06 0.00 0.77 0.00 0.00 66.41 66.60 1sb3 h THR 602 Cb 1.26 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1sb3 h THR 602 CO 0.61 0.07 0.30 1.05 0.37 0.00 0.00 175.52 177.92 1sb3 h GLU 603 N 0.38 0.00 -0.34 6.66 4.11 -1.90 0.30 114.58 123.78 1sb3 h GLU 603 Ca 0.64 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.07 1sb3 h GLU 603 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1sb3 h GLU 603 CO -0.57 0.00 0.00 1.19 0.07 0.00 0.00 179.01 179.70 1sb3 n PHE 604 N -3.49 0.44 -1.31 2.06 3.01 -0.11 -4.32 117.46 113.74 1sb3 n PHE 604 Ca 0.02 -0.22 -0.23 0.00 1.01 0.00 0.00 57.45 58.03 1sb3 n PHE 604 Cb 0.42 0.00 0.16 0.00 -0.01 0.00 0.00 39.48 40.04 1sb3 n PHE 604 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1sb3 n GLN 605 N 0.93 2.33 0.00 -1.08 6.02 0.09 -3.25 117.38 122.41 1sb3 n GLN 605 Ca 0.18 -3.14 0.00 0.00 -0.01 0.00 0.00 57.00 54.03 1sb3 n GLN 605 Cb 0.46 -2.15 0.00 0.00 1.02 0.00 0.00 30.24 29.56 1sb3 n GLN 605 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sb3 n GLY 606 N -1.08 -0.86 3.11 1.08 0.00 -1.26 -4.46 105.19 101.72 1sb3 n GLY 606 Ca 0.56 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 1sb3 n GLY 606 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sb3 s ASP 607 N -4.00 2.89 0.43 1.61 -1.08 -1.26 -4.90 116.67 110.36 1sb3 s ASP 607 Ca 0.00 -0.55 0.11 0.00 -0.52 0.00 0.00 52.55 51.59 1sb3 s ASP 607 Cb 0.00 -1.33 0.97 0.00 -1.46 0.00 0.00 42.92 41.10 1sb3 s ASP 607 CO 0.00 0.03 2.03 0.11 0.52 0.00 0.00 175.17 177.86 1sb3 h LYS 608 N 7.56 0.44 -0.09 4.34 1.57 -1.98 -1.65 116.57 126.75 1sb3 h LYS 608 Ca -0.35 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1sb3 h LYS 608 Cb 1.17 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1sb3 h LYS 608 CO 0.55 0.29 0.00 0.36 -0.57 0.00 0.00 179.45 180.08 1sb3 n LYS 609 N -4.48 1.26 -3.88 3.15 2.85 -1.26 -4.23 118.16 111.58 1sb3 n LYS 609 Ca 0.06 -0.40 -0.30 0.00 -1.05 0.00 0.00 58.31 56.62 1sb3 n LYS 609 Cb 0.21 -1.21 -0.14 0.00 -0.65 0.00 0.00 35.03 33.25 1sb3 n LYS 609 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1sb3 s ILE 610 N -1.88 2.24 0.10 0.58 1.01 -0.62 -5.08 121.20 117.54 1sb3 s ILE 610 Ca 0.18 -3.12 -0.34 0.00 0.00 0.00 0.00 60.65 57.37 1sb3 s ILE 610 Cb 0.09 -2.56 -0.14 0.00 0.01 0.00 0.00 42.46 39.87 1sb3 s ILE 610 CO 0.14 -0.83 1.61 0.54 0.00 0.00 0.00 174.94 176.39 1sb3 n ARG 611 N 3.21 2.01 -0.27 2.79 1.74 -1.26 -1.33 116.66 123.54 1sb3 n ARG 611 Ca 0.06 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 57.87 1sb3 n ARG 611 Cb 0.33 -2.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.27 1sb3 n ARG 611 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sb3 n GLY 612 N 3.51 0.96 0.00 -0.13 0.00 -1.26 -4.90 105.19 103.36 1sb3 n GLY 612 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 1sb3 n GLY 612 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sb3 n SER 613 N 0.00 0.00 0.13 1.61 3.41 -0.44 -2.26 113.62 116.06 1sb3 n SER 613 Ca 0.00 -0.63 -0.02 0.00 -0.26 0.00 0.00 58.87 57.96 1sb3 n SER 613 Cb 0.00 -0.04 0.16 0.00 -0.26 0.00 0.00 64.21 64.07 1sb3 n SER 613 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sb3 h ALA 614 N 3.39 0.96 -1.84 7.33 0.00 -1.82 -3.30 119.26 123.99 1sb3 h ALA 614 Ca 0.00 -0.55 -0.57 0.00 0.00 0.00 0.00 54.91 53.79 1sb3 h ALA 614 Cb 0.03 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 1sb3 h ALA 614 CO 0.00 0.75 0.90 0.42 0.00 0.00 0.00 179.25 181.33 1sb3 s ILE 615 N -3.66 4.32 0.00 0.00 -1.09 -0.96 -1.77 121.20 118.04 1sb3 s ILE 615 Ca -0.02 1.43 0.00 0.00 -2.23 0.00 0.00 60.65 59.83 1sb3 s ILE 615 Cb 0.13 -4.49 0.00 0.00 -1.58 0.00 0.00 42.46 36.52 1sb3 s ILE 615 CO 0.77 -0.75 0.00 0.61 -1.23 0.00 0.00 174.94 174.34 1sb3 n GLY 616 N 4.41 1.44 3.77 6.18 0.00 -1.26 -4.81 105.19 114.92 1sb3 n GLY 616 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1sb3 n GLY 616 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sb3 s ALA 617 N -2.16 3.45 0.25 4.61 0.00 -0.73 -4.92 121.76 122.27 1sb3 s ALA 617 Ca 0.00 0.23 -0.22 0.00 0.00 0.00 0.00 51.96 51.98 1sb3 s ALA 617 Cb 0.00 -2.89 0.03 0.00 0.00 0.00 0.00 23.12 20.26 1sb3 s ALA 617 CO 0.00 0.21 0.74 -0.08 0.00 0.00 0.00 175.76 176.63 1sb3 s THR 618 N -0.62 0.00 0.17 0.00 -1.32 -1.20 -2.27 115.64 110.40 1sb3 s THR 618 Ca 0.35 -0.87 0.15 0.00 -1.21 0.00 0.00 61.69 60.11 1sb3 s THR 618 Cb -0.21 -1.91 0.06 0.00 -1.51 0.00 0.00 72.50 68.93 1sb3 s THR 618 CO 0.23 0.00 1.65 0.24 -2.21 0.00 0.00 174.62 174.52 1sb3 h MET 619 N 2.00 0.00 -1.15 7.08 2.86 -1.81 -3.42 114.93 120.50 1sb3 h MET 619 Ca -0.21 0.00 0.34 0.00 -2.06 0.00 0.00 59.70 57.78 1sb3 h MET 619 Cb 1.25 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 32.74 1sb3 h MET 619 CO 0.25 0.50 0.94 0.20 1.06 0.00 0.00 176.91 179.85 1sb3 s GLY 620 N -4.42 -0.35 0.03 8.32 0.00 -1.26 -4.70 107.32 104.94 1sb3 s GLY 620 Ca -0.00 1.36 0.06 0.00 0.00 0.00 0.00 44.72 46.14 1sb3 s GLY 620 CO 0.72 0.39 -0.14 -1.36 0.00 0.00 0.00 173.10 172.71 1sb3 s PHE 621 N -2.14 2.67 0.01 1.90 0.40 -1.26 -1.42 117.98 118.15 1sb3 s PHE 621 Ca 0.13 -0.19 -0.20 0.00 -0.60 0.00 0.00 56.93 56.07 1sb3 s PHE 621 Cb 0.03 -1.51 -0.06 0.00 0.51 0.00 0.00 43.02 41.99 1sb3 s PHE 621 CO -0.04 0.29 0.59 0.00 0.70 0.00 0.00 175.22 176.75 1sb3 s TYR 623 N -0.39 2.42 -0.01 0.00 1.51 -1.12 -1.84 117.35 117.93 1sb3 s TYR 623 Ca 0.30 -0.35 0.00 0.00 -1.01 0.00 0.00 57.07 56.02 1sb3 s TYR 623 Cb -0.18 -1.43 0.01 0.00 -0.11 0.00 0.00 41.96 40.25 1sb3 s TYR 623 CO 0.18 0.16 0.00 0.00 -1.11 0.00 0.00 175.55 174.78 1sb3 s ALA 624 N -0.83 0.11 -0.09 3.71 0.00 -0.04 0.13 121.76 124.74 1sb3 s ALA 624 Ca 0.13 0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.23 1sb3 s ALA 624 Cb -0.10 -0.13 -0.00 0.00 0.00 0.00 0.00 23.12 22.88 1sb3 s ALA 624 CO 0.03 -0.03 -0.23 0.00 0.00 0.00 0.00 175.76 175.52 1sb3 s ALA 625 N 0.46 2.21 -0.01 0.00 0.00 -0.48 -1.43 121.76 122.51 1sb3 s ALA 625 Ca -0.04 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 50.93 1sb3 s ALA 625 Cb -0.06 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.24 1sb3 s ALA 625 CO -0.01 0.32 0.04 1.14 0.00 0.00 0.00 175.76 177.24 1sb3 s GLN 626 N 0.22 0.09 -0.13 0.00 -2.07 -0.64 -0.81 119.66 116.33 1sb3 s GLN 626 Ca -0.15 -0.03 -0.01 0.00 -1.82 0.00 0.00 55.36 53.35 1sb3 s GLN 626 Cb -0.17 0.04 -0.02 0.00 -1.09 0.00 0.00 33.01 31.77 1sb3 s GLN 626 CO 0.08 -0.01 -0.09 0.08 -1.32 0.00 0.00 175.29 174.02 1sb3 s VAL 627 N -0.19 3.45 -0.08 3.63 1.01 0.08 -2.24 120.40 126.07 1sb3 s VAL 627 Ca -0.02 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.47 1sb3 s VAL 627 Cb -0.02 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 1sb3 s VAL 627 CO 0.00 0.53 -0.22 -0.69 0.00 0.00 0.00 175.10 174.72 1sb3 s VAL 628 N 0.13 2.28 -0.21 2.92 1.01 -0.22 -0.99 120.40 125.32 1sb3 s VAL 628 Ca -0.04 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 1sb3 s VAL 628 Cb -0.14 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 1sb3 s VAL 628 CO 0.04 0.56 -0.05 -0.70 0.00 0.00 0.00 175.10 174.95 1sb3 s GLU 629 N -0.02 3.38 0.20 2.72 2.12 -0.29 -0.98 118.70 125.84 1sb3 s GLU 629 Ca -0.07 -0.63 0.00 0.00 0.36 0.00 0.00 54.97 54.63 1sb3 s GLU 629 Cb -0.15 -2.96 -0.04 0.00 0.26 0.00 0.00 34.13 31.24 1sb3 s GLU 629 CO 0.05 -0.14 0.08 0.00 -0.54 0.00 0.00 175.26 174.72 1sb3 s ALA 630 N 1.31 1.34 0.04 6.30 0.00 -0.76 -0.40 121.76 129.60 1sb3 s ALA 630 Ca 0.04 -1.70 -0.01 0.00 0.00 0.00 0.00 51.96 50.29 1sb3 s ALA 630 Cb -0.14 1.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.97 1sb3 s ALA 630 CO -0.02 -0.48 -0.03 -1.54 0.00 0.00 0.00 175.76 173.69 1sb3 s SER 631 N -3.20 0.43 -0.07 0.00 1.04 -0.47 -0.68 113.70 110.75 1sb3 s SER 631 Ca 0.33 -0.83 0.03 0.00 0.48 0.00 0.00 55.95 55.96 1sb3 s SER 631 Cb 0.07 0.16 0.01 0.00 0.10 0.00 0.00 66.02 66.37 1sb3 s SER 631 CO 0.09 -0.50 -0.14 -0.69 0.98 0.00 0.00 173.24 172.99 1sb3 s VAL 632 N -3.08 1.30 -0.32 5.02 1.01 -0.08 -0.80 120.40 123.45 1sb3 s VAL 632 Ca -0.01 -0.58 -0.22 0.00 0.00 0.00 0.00 61.98 61.18 1sb3 s VAL 632 Cb 0.02 -1.17 -0.00 0.00 0.00 0.00 0.00 36.38 35.23 1sb3 s VAL 632 CO -0.07 0.39 0.70 -0.62 0.00 0.00 0.00 175.10 175.50 1sb3 s ASP 633 N 0.60 6.54 0.46 3.32 -1.08 -0.72 -4.84 116.67 120.95 1sb3 s ASP 633 Ca -0.15 0.44 0.26 0.00 -0.52 0.00 0.00 52.55 52.58 1sb3 s ASP 633 Cb -0.16 -2.36 0.86 0.00 -1.46 0.00 0.00 42.92 39.80 1sb3 s ASP 633 CO 0.05 -0.57 1.80 -0.33 0.52 0.00 0.00 175.17 176.63 1sb3 h GLU 634 N 8.25 0.00 -0.13 4.34 5.08 -1.93 0.60 114.58 130.79 1sb3 h GLU 634 Ca -0.26 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 1sb3 h GLU 634 Cb 1.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 1sb3 h GLU 634 CO 0.84 0.13 -0.01 0.82 -1.00 0.00 0.00 179.01 179.79 1sb3 h ILE 635 N 0.00 1.26 0.00 3.13 2.04 -1.98 -3.32 117.51 118.64 1sb3 h ILE 635 Ca -0.00 -0.85 -0.07 0.00 1.00 0.00 0.00 64.86 64.94 1sb3 h ILE 635 Cb 0.78 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 1sb3 h ILE 635 CO 0.02 0.25 -1.90 0.35 0.00 0.00 0.00 178.15 176.86 1sb3 n THR 636 N -4.77 0.37 -0.64 -0.27 -2.24 -1.21 -4.98 114.28 100.53 1sb3 n THR 636 Ca -0.06 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 1sb3 n THR 636 Cb 0.22 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 1sb3 n THR 636 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sb3 n GLY 637 N 1.33 0.97 3.72 3.38 0.00 0.21 -4.76 105.19 110.04 1sb3 n GLY 637 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1sb3 n GLY 637 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sb3 s LYS 638 N -0.30 4.42 -0.11 1.61 2.20 -1.19 -4.29 119.74 122.08 1sb3 s LYS 638 Ca 0.00 1.88 -0.14 0.00 -0.36 0.00 0.00 55.97 57.36 1sb3 s LYS 638 Cb 0.00 -3.29 -0.05 0.00 -1.51 0.00 0.00 37.83 32.98 1sb3 s LYS 638 CO 0.00 -0.26 0.32 0.08 -0.36 0.00 0.00 175.35 175.14 1sb3 s VAL 639 N 0.75 5.25 -0.15 4.02 1.01 -1.26 -1.75 120.40 128.26 1sb3 s VAL 639 Ca 0.59 0.63 0.02 0.00 0.00 0.00 0.00 61.98 63.21 1sb3 s VAL 639 Cb -0.32 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.43 1sb3 s VAL 639 CO 0.32 0.46 -0.20 -0.89 0.00 0.00 0.00 175.10 174.79 1sb3 s THR 640 N -0.10 1.96 -0.31 3.92 2.01 0.02 -4.99 115.64 118.15 1sb3 s THR 640 Ca 0.19 -0.90 -0.21 0.00 0.31 0.00 0.00 61.69 61.08 1sb3 s THR 640 Cb -0.14 -1.75 -0.01 0.00 0.01 0.00 0.00 72.50 70.61 1sb3 s THR 640 CO 0.07 0.53 0.66 0.00 -0.69 0.00 0.00 174.62 175.19 1sb3 s ALA 641 N 1.00 3.53 -0.15 7.40 0.00 -1.26 -1.37 121.76 130.91 1sb3 s ALA 641 Ca -0.03 -0.60 -0.16 0.00 0.00 0.00 0.00 51.96 51.17 1sb3 s ALA 641 Cb -0.15 -3.14 -0.24 0.00 0.00 0.00 0.00 23.12 19.60 1sb3 s ALA 641 CO -0.05 -1.10 0.38 0.45 0.00 0.00 0.00 175.76 175.43 1sb3 h HIS 642 N 8.18 0.27 -2.78 0.00 3.86 -1.07 -3.28 115.15 120.34 1sb3 h HIS 642 Ca -0.26 -0.20 -0.06 0.00 -1.16 0.00 0.00 60.37 58.69 1sb3 h HIS 642 Cb 1.11 -0.01 -0.16 0.00 1.06 0.00 0.00 27.41 29.41 1sb3 h HIS 642 CO 0.76 1.58 0.04 0.21 0.86 0.00 0.00 177.93 181.38 1sb3 s LYS 643 N -2.45 1.04 -0.04 2.45 2.20 -1.06 -2.03 119.74 119.84 1sb3 s LYS 643 Ca -0.24 -0.24 0.02 0.00 -0.36 0.00 0.00 55.97 55.15 1sb3 s LYS 643 Cb 0.05 0.47 0.01 0.00 -1.51 0.00 0.00 37.83 36.86 1sb3 s LYS 643 CO 0.70 -0.38 -0.09 0.08 -0.36 0.00 0.00 175.35 175.30 1sb3 s VAL 644 N -2.47 0.85 -0.21 4.02 1.01 -0.33 -1.14 120.40 122.13 1sb3 s VAL 644 Ca -0.05 -0.34 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 1sb3 s VAL 644 Cb -0.01 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 1sb3 s VAL 644 CO -0.02 0.28 -0.04 0.26 0.00 0.00 0.00 175.10 175.58 1sb3 s TRP 645 N 0.54 2.97 -0.06 5.22 0.51 -0.17 -0.94 118.94 127.01 1sb3 s TRP 645 Ca -0.09 -0.84 0.01 0.00 -2.12 0.00 0.00 56.10 53.05 1sb3 s TRP 645 Cb -0.13 -2.10 0.02 0.00 -0.81 0.00 0.00 33.47 30.46 1sb3 s TRP 645 CO 0.02 -0.49 -0.06 0.54 -0.51 0.00 0.00 176.95 176.45 1sb3 s VAL 646 N 1.37 0.72 -0.18 4.03 0.11 -0.26 -0.74 120.40 125.45 1sb3 s VAL 646 Ca 0.04 -0.19 -0.03 0.00 -2.93 0.00 0.00 61.98 58.87 1sb3 s VAL 646 Cb -0.14 -0.74 -0.01 0.00 -1.53 0.00 0.00 36.38 33.96 1sb3 s VAL 646 CO -0.02 0.28 -0.07 0.00 -3.33 0.00 0.00 175.10 171.96 1sb3 s ALA 647 N 1.12 2.78 -0.11 1.54 0.00 0.01 -0.32 121.76 126.78 1sb3 s ALA 647 Ca -0.07 -1.02 0.04 0.00 0.00 0.00 0.00 51.96 50.90 1sb3 s ALA 647 Cb -0.14 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.46 1sb3 s ALA 647 CO -0.01 -0.11 -0.23 0.14 0.00 0.00 0.00 175.76 175.55 1sb3 s VAL 648 N 0.93 2.06 -0.54 0.00 -7.23 -0.47 -1.39 120.40 113.76 1sb3 s VAL 648 Ca -0.01 -1.01 -0.24 0.00 -1.81 0.00 0.00 61.98 58.91 1sb3 s VAL 648 Cb -0.15 -1.79 0.04 0.00 0.56 0.00 0.00 36.38 35.04 1sb3 s VAL 648 CO 0.00 0.56 0.92 -0.62 -0.31 0.00 0.00 175.10 175.65 1sb3 s ASP 649 N 0.50 6.35 -0.16 4.85 3.68 0.12 -0.80 116.67 131.20 1sb3 s ASP 649 Ca -0.15 -0.31 0.17 0.00 2.13 0.00 0.00 52.55 54.39 1sb3 s ASP 649 Cb -0.17 -2.43 0.47 0.00 -1.45 0.00 0.00 42.92 39.34 1sb3 s ASP 649 CO 0.05 -1.19 1.36 1.33 0.13 0.00 0.00 175.17 176.86 1sb3 n VAL 650 N 6.20 2.17 0.00 1.11 0.24 -0.49 -2.77 118.33 124.79 1sb3 n VAL 650 Ca 0.02 -1.93 0.00 0.00 -2.04 0.00 0.00 64.34 60.39 1sb3 n VAL 650 Cb 0.48 -0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 1sb3 n VAL 650 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1sb3 n GLY 651 N -0.66 1.37 3.52 7.63 0.00 -1.25 -0.58 105.19 115.22 1sb3 n GLY 651 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1sb3 n GLY 651 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sb3 s LYS 652 N 0.00 0.43 -0.49 1.61 2.47 -1.19 0.05 119.74 122.63 1sb3 s LYS 652 Ca 0.00 1.09 -0.28 0.00 -1.56 0.00 0.00 55.97 55.22 1sb3 s LYS 652 Cb 0.00 0.66 0.01 0.00 -1.46 0.00 0.00 37.83 37.03 1sb3 s LYS 652 CO 0.00 -0.15 1.49 0.00 0.16 0.00 0.00 175.35 176.85 1sb3 s ALA 653 N 2.67 2.85 0.18 3.13 0.00 -1.26 -4.38 121.76 124.95 1sb3 s ALA 653 Ca -0.04 -0.38 -0.08 0.00 0.00 0.00 0.00 51.96 51.45 1sb3 s ALA 653 Cb -0.09 -4.05 0.08 0.00 0.00 0.00 0.00 23.12 19.06 1sb3 s ALA 653 CO -0.18 -2.78 1.62 -0.07 0.00 0.00 0.00 175.76 174.34 1sb3 h LEU 654 N 13.11 1.00 -6.88 0.00 3.38 -1.95 -3.34 115.31 120.63 1sb3 h LEU 654 Ca -0.28 -0.32 -0.58 0.00 0.09 0.00 0.00 57.88 56.79 1sb3 h LEU 654 Cb 1.11 -0.27 -0.40 0.00 0.09 0.00 0.00 40.66 41.19 1sb3 h LEU 654 CO 1.13 1.11 -0.78 0.21 0.09 0.00 0.00 178.44 180.20 1sb3 s ASN 655 N -6.65 3.54 0.47 -0.43 3.84 -1.26 -0.15 114.94 114.30 1sb3 s ASN 655 Ca -0.11 -1.94 0.22 0.00 0.21 0.00 0.00 52.86 51.23 1sb3 s ASN 655 Cb 0.13 -0.66 1.23 0.00 -0.55 0.00 0.00 41.25 41.40 1sb3 s ASN 655 CO 0.86 -0.36 1.91 -0.65 -2.79 0.00 0.00 177.10 176.07 1sb3 h PRO 656 N 7.54 0.23 -0.19 0.43 0.11 -1.75 -0.37 132.00 137.99 1sb3 h PRO 656 Ca -0.07 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.00 1sb3 h PRO 656 Cb 0.98 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 1sb3 h PRO 656 CO 0.41 0.15 0.01 1.25 -0.21 0.00 0.00 178.00 179.61 1sb3 h LEU 657 N 0.23 0.33 -0.53 2.35 5.85 -1.90 -1.74 115.31 119.90 1sb3 h LEU 657 Ca 0.38 -0.29 -0.13 0.00 0.84 0.00 0.00 57.88 58.68 1sb3 h LEU 657 Cb 1.15 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 1sb3 h LEU 657 CO -0.09 0.54 -0.22 0.00 -0.34 0.00 0.00 178.44 178.33 1sb3 h ALA 658 N 0.80 0.72 -0.39 1.25 0.00 -1.48 -2.48 119.26 117.68 1sb3 h ALA 658 Ca 0.06 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.61 1sb3 h ALA 658 Cb 0.36 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1sb3 h ALA 658 CO 0.01 0.67 0.18 0.28 0.00 0.00 0.00 179.25 180.38 1sb3 h VAL 659 N 0.83 0.95 -0.25 0.00 2.07 -1.08 0.17 116.25 118.94 1sb3 h VAL 659 Ca 0.11 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.54 1sb3 h VAL 659 Cb 0.79 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1sb3 h VAL 659 CO 0.07 0.07 0.04 -0.33 0.02 0.00 0.00 177.57 177.43 1sb3 h GLU 660 N 0.36 0.12 -0.64 1.57 5.08 -1.17 0.43 114.58 120.33 1sb3 h GLU 660 Ca 0.17 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.44 1sb3 h GLU 660 Cb 0.10 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1sb3 h GLU 660 CO -0.14 0.08 0.06 0.78 -1.00 0.00 0.00 179.01 178.80 1sb3 h GLY 661 N 0.13 1.18 0.99 -3.84 0.00 -0.97 -0.04 103.07 100.52 1sb3 h GLY 661 Ca 0.12 -0.82 -0.02 0.00 0.00 0.00 0.00 47.33 46.61 1sb3 h GLY 661 CO -0.17 0.76 0.28 1.46 0.00 0.00 0.00 176.54 178.87 1sb3 h GLN 662 N 1.01 0.83 -0.50 4.80 1.08 -0.43 -0.14 115.11 121.75 1sb3 h GLN 662 Ca 0.19 -0.12 -0.08 0.00 -1.45 0.00 0.00 58.65 57.19 1sb3 h GLN 662 Cb 0.49 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.76 1sb3 h GLN 662 CO 0.02 0.67 -0.01 1.15 -0.95 0.00 0.00 178.83 179.71 1sb3 h THR 663 N 0.78 1.26 -0.60 -0.54 2.02 -0.64 -0.38 112.91 114.81 1sb3 h THR 663 Ca 0.20 -1.09 -0.04 0.00 0.77 0.00 0.00 66.41 66.24 1sb3 h THR 663 Cb 0.11 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 1sb3 h THR 663 CO -0.03 0.38 0.21 1.56 0.37 0.00 0.00 175.52 178.02 1sb3 h GLN 664 N 0.75 0.92 -0.63 6.66 4.20 -0.81 -0.13 115.11 126.07 1sb3 h GLN 664 Ca 0.14 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 1sb3 h GLN 664 Cb 0.53 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 1sb3 h GLN 664 CO 0.03 0.80 0.25 0.78 -0.67 0.00 0.00 178.83 180.02 1sb3 h GLY 665 N 0.85 1.01 0.80 3.46 0.00 -0.77 0.47 103.07 108.88 1sb3 h GLY 665 Ca 0.20 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1sb3 h GLY 665 CO -0.01 0.52 0.02 -1.33 0.00 0.00 0.00 176.54 175.74 1sb3 h GLY 666 N 0.88 0.20 1.01 4.60 0.00 -0.80 -0.88 103.07 108.07 1sb3 h GLY 666 Ca 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1sb3 h GLY 666 CO -0.02 0.12 0.45 -2.08 0.00 0.00 0.00 176.54 175.02 1sb3 h VAL 667 N -0.04 1.19 -0.48 4.60 2.07 -0.91 -2.49 116.25 120.18 1sb3 h VAL 667 Ca 0.03 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 1sb3 h VAL 667 Cb 0.29 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1sb3 h VAL 667 CO 0.00 0.18 0.04 -0.25 0.02 0.00 0.00 177.57 177.57 1sb3 h TRP 668 N 0.95 0.80 -0.04 1.57 7.01 -0.74 -0.74 115.95 124.76 1sb3 h TRP 668 Ca 0.26 -0.09 -0.08 0.00 2.11 0.00 0.00 58.89 61.08 1sb3 h TRP 668 Cb -0.09 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 26.73 1sb3 h TRP 668 CO -0.02 0.72 -0.33 1.98 -2.79 0.00 0.00 178.44 178.00 1sb3 h MET 669 N 0.73 0.08 -0.42 2.65 4.05 -0.88 -1.22 114.93 119.92 1sb3 h MET 669 Ca 0.15 -0.03 -0.14 0.00 -0.28 0.00 0.00 59.70 59.40 1sb3 h MET 669 Cb 0.38 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 1sb3 h MET 669 CO 0.01 0.41 -0.29 0.78 0.23 0.00 0.00 176.91 178.05 1sb3 h GLY 670 N 1.04 1.02 1.53 1.39 0.00 -0.89 -2.33 103.07 104.83 1sb3 h GLY 670 Ca 0.01 -0.97 -0.02 0.00 0.00 0.00 0.00 47.33 46.35 1sb3 h GLY 670 CO 0.05 0.88 0.20 1.98 0.00 0.00 0.00 176.54 179.65 1sb3 h MET 671 N 0.76 0.62 -0.34 4.80 -1.53 -0.46 0.23 114.93 119.01 1sb3 h MET 671 Ca 0.08 -0.07 -0.07 0.00 -3.44 0.00 0.00 59.70 56.20 1sb3 h MET 671 Cb 0.88 -0.12 -0.01 0.00 -0.55 0.00 0.00 31.60 31.80 1sb3 h MET 671 CO 0.08 0.49 -0.06 0.78 0.14 0.00 0.00 176.91 178.34 1sb3 h GLY 672 N 0.74 0.70 1.42 1.39 0.00 -0.97 -0.88 103.07 105.47 1sb3 h GLY 672 Ca 0.16 -0.56 -0.11 0.00 0.00 0.00 0.00 47.33 46.81 1sb3 h GLY 672 CO -0.02 0.52 -0.22 -1.61 0.00 0.00 0.00 176.54 175.20 1sb3 h GLN 673 N 0.44 0.67 -0.27 4.80 4.15 -0.95 0.19 115.11 124.14 1sb3 h GLN 673 Ca 0.09 -0.26 -0.12 0.00 0.77 0.00 0.00 58.65 59.13 1sb3 h GLN 673 Cb 0.55 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 1sb3 h GLN 673 CO 0.03 0.84 -0.35 0.00 -1.93 0.00 0.00 178.83 177.42 1sb3 h ALA 674 N 1.17 0.89 0.00 3.38 0.00 -0.22 -3.36 119.26 121.11 1sb3 h ALA 674 Ca 0.09 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 1sb3 h ALA 674 Cb 0.70 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1sb3 h ALA 674 CO 0.05 0.63 -1.50 1.28 0.00 0.00 0.00 179.25 179.71 1sb3 n LEU 675 N -4.06 0.07 0.00 0.00 4.77 -0.36 0.54 117.00 117.96 1sb3 n LEU 675 Ca -0.01 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1sb3 n LEU 675 Cb 0.48 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 1sb3 n LEU 675 CO 0.45 0.19 0.00 -1.54 -1.33 0.00 0.00 177.39 175.16 1sb3 n SER 676 N -2.28 0.00 -4.75 -1.43 3.41 -0.69 -3.49 113.62 104.39 1sb3 n SER 676 Ca -0.12 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.10 1sb3 n SER 676 Cb 0.74 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.63 1sb3 n SER 676 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1sb3 s GLU 677 N 0.00 4.33 -0.29 4.33 2.02 0.59 -4.17 118.70 125.51 1sb3 s GLU 677 Ca 0.00 0.70 -0.21 0.00 0.02 0.00 0.00 54.97 55.48 1sb3 s GLU 677 Cb 0.00 -3.37 0.13 0.00 0.10 0.00 0.00 34.13 30.99 1sb3 s GLU 677 CO 0.00 0.30 1.03 -1.83 0.02 0.00 0.00 175.26 174.78 1sb3 s GLU 678 N 0.07 0.43 0.52 1.61 -1.05 -1.26 -4.47 118.70 114.55 1sb3 s GLU 678 Ca 0.31 0.60 -0.10 0.00 -0.15 0.00 0.00 54.97 55.63 1sb3 s GLU 678 Cb -0.18 0.17 -0.05 0.00 -0.44 0.00 0.00 34.13 33.63 1sb3 s GLU 678 CO 0.16 -0.07 0.90 0.95 0.95 0.00 0.00 175.26 178.16 1sb3 s THR 679 N 0.65 4.76 -0.07 1.83 -4.23 -0.47 -4.83 115.64 113.29 1sb3 s THR 679 Ca -0.01 0.68 -0.03 0.00 -1.18 0.00 0.00 61.69 61.15 1sb3 s THR 679 Cb -0.04 -3.82 0.04 0.00 1.34 0.00 0.00 72.50 70.01 1sb3 s THR 679 CO -0.10 -0.88 0.13 -0.69 -0.54 0.00 0.00 174.62 172.54 1sb3 s VAL 680 N -2.82 -0.15 0.10 2.29 1.01 -1.26 -4.76 120.40 114.81 1sb3 s VAL 680 Ca 0.53 0.30 0.08 0.00 0.00 0.00 0.00 61.98 62.88 1sb3 s VAL 680 Cb -0.10 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 1sb3 s VAL 680 CO 0.44 0.12 -0.17 -0.31 0.00 0.00 0.00 175.10 175.19 1sb3 s TYR 681 N 1.80 2.58 -0.32 5.22 1.51 -1.26 -0.95 117.35 125.92 1sb3 s TYR 681 Ca -0.02 -0.24 -0.01 0.00 -1.01 0.00 0.00 57.07 55.79 1sb3 s TYR 681 Cb -0.12 -1.38 0.10 0.00 -0.11 0.00 0.00 41.96 40.45 1sb3 s TYR 681 CO -0.05 0.37 0.11 0.34 -1.11 0.00 0.00 175.55 175.21 1sb3 s ASP 682 N -2.04 3.97 -1.40 2.29 3.68 0.30 -4.82 116.67 118.65 1sb3 s ASP 682 Ca 0.18 -1.72 -0.03 0.00 2.13 0.00 0.00 52.55 53.11 1sb3 s ASP 682 Cb -0.11 -0.86 0.02 0.00 -1.45 0.00 0.00 42.92 40.53 1sb3 s ASP 682 CO 0.10 -0.40 0.60 -3.20 0.13 0.00 0.00 175.17 172.40 1sb3 n ASN 683 N 4.74 -1.26 0.00 -0.34 4.05 -1.26 -1.20 115.26 119.99 1sb3 n ASN 683 Ca -0.01 -0.92 0.00 0.00 0.45 0.00 0.00 54.58 54.10 1sb3 n ASN 683 Cb 0.41 -3.48 0.00 0.00 1.23 0.00 0.00 39.78 37.94 1sb3 n ASN 683 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1sb3 n GLY 684 N -1.77 3.12 3.73 8.20 0.00 -1.26 -4.86 105.19 112.35 1sb3 n GLY 684 Ca -0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 1sb3 n GLY 684 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sb3 s ARG 685 N -0.39 4.50 0.11 1.61 0.52 -0.34 -4.37 118.95 120.59 1sb3 s ARG 685 Ca 0.00 1.10 -0.30 0.00 -0.52 0.00 0.00 55.73 56.00 1sb3 s ARG 685 Cb 0.00 -3.41 -0.07 0.00 0.52 0.00 0.00 34.95 31.99 1sb3 s ARG 685 CO 0.00 0.14 1.22 1.41 0.02 0.00 0.00 175.30 178.09 1sb3 s MET 686 N 0.46 4.44 -0.09 3.54 -2.45 -1.26 -0.54 119.30 123.40 1sb3 s MET 686 Ca 0.41 1.84 0.14 0.00 -1.25 0.00 0.00 55.69 56.83 1sb3 s MET 686 Cb -0.20 -3.30 -0.21 0.00 1.25 0.00 0.00 34.83 32.37 1sb3 s MET 686 CO 0.23 -0.22 0.18 0.28 1.05 0.00 0.00 175.02 176.54 1sb3 n VAL 687 N 3.48 0.55 -0.04 10.11 0.31 -0.13 -4.61 118.33 128.00 1sb3 n VAL 687 Ca 0.08 -0.50 0.06 0.00 -0.01 0.00 0.00 64.34 63.97 1sb3 n VAL 687 Cb 0.45 -0.27 0.25 0.00 -0.91 0.00 0.00 33.84 33.36 1sb3 n VAL 687 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sb3 n HIS 688 N -2.31 1.16 -0.19 3.52 1.44 -1.25 -4.82 115.22 112.78 1sb3 n HIS 688 Ca -0.14 -0.43 -0.01 0.00 -2.01 0.00 0.00 57.72 55.13 1sb3 n HIS 688 Cb 0.72 -0.26 -0.01 0.00 0.12 0.00 0.00 29.99 30.56 1sb3 n HIS 688 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1sb3 n GLY 689 N 0.67 1.22 3.69 -1.39 0.00 -1.26 -4.06 105.19 104.06 1sb3 n GLY 689 Ca 0.18 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 1sb3 n GLY 689 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sb3 s ASN 690 N 2.09 -0.36 -0.23 1.61 2.20 -1.26 -3.98 114.94 115.00 1sb3 s ASN 690 Ca 0.03 -0.36 0.08 0.00 -0.94 0.00 0.00 52.86 51.67 1sb3 s ASN 690 Cb 0.01 0.65 0.58 0.00 -2.00 0.00 0.00 41.25 40.50 1sb3 s ASN 690 CO 0.00 -1.15 1.52 -0.38 -2.94 0.00 0.00 177.10 174.15 1sb3 n ILE 691 N -0.42 2.27 -0.12 0.54 5.41 -1.26 -2.21 119.36 123.56 1sb3 n ILE 691 Ca -0.09 -1.17 -0.25 0.00 1.00 0.00 0.00 62.75 62.24 1sb3 n ILE 691 Cb 0.61 -0.42 -0.08 0.00 -0.71 0.00 0.00 39.64 39.04 1sb3 n ILE 691 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1sb3 n LEU 692 N 0.09 1.86 0.01 1.39 7.94 -1.26 -4.60 117.00 122.42 1sb3 n LEU 692 Ca 0.29 0.32 0.12 0.00 -1.11 0.00 0.00 56.01 55.63 1sb3 n LEU 692 Cb 1.10 -0.77 0.30 0.00 0.53 0.00 0.00 43.42 44.58 1sb3 n LEU 692 CO 0.31 0.41 0.52 0.47 -1.11 0.00 0.00 177.39 177.99 1sb3 n ASP 693 N -4.22 0.45 -4.31 1.96 8.00 -1.25 -4.32 116.55 112.87 1sb3 n ASP 693 Ca -0.46 -0.09 -0.41 0.00 0.71 0.00 0.00 54.79 54.54 1sb3 n ASP 693 Cb 0.81 0.12 -0.09 0.00 -0.02 0.00 0.00 41.12 41.94 1sb3 n ASP 693 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1sb3 s TYR 694 N -3.02 3.31 -1.34 1.24 5.04 -0.94 -4.87 117.35 116.76 1sb3 s TYR 694 Ca 0.11 -1.32 -0.15 0.00 -2.44 0.00 0.00 57.07 53.27 1sb3 s TYR 694 Cb 0.17 -2.99 0.08 0.00 0.35 0.00 0.00 41.96 39.57 1sb3 s TYR 694 CO 0.68 -0.82 1.89 0.54 -1.34 0.00 0.00 175.55 176.50 1sb3 n ARG 695 N 5.01 3.15 -1.89 4.97 1.74 -1.26 -4.52 116.66 123.85 1sb3 n ARG 695 Ca -0.11 -3.14 -0.42 0.00 -0.77 0.00 0.00 57.85 53.42 1sb3 n ARG 695 Cb 0.43 -3.30 -0.03 0.00 -1.02 0.00 0.00 32.46 28.54 1sb3 n ARG 695 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1sb3 s VAL 696 N 3.08 2.48 0.47 1.55 1.01 -1.26 -4.14 120.40 123.58 1sb3 s VAL 696 Ca 0.48 0.35 -0.24 0.00 0.00 0.00 0.00 61.98 62.57 1sb3 s VAL 696 Cb 0.07 -3.22 -0.08 0.00 0.00 0.00 0.00 36.38 33.15 1sb3 s VAL 696 CO 0.00 0.03 1.31 -2.65 0.00 0.00 0.00 175.10 173.80 1sb3 n PRO 697 N 3.76 1.90 -2.58 2.72 -0.02 -1.26 -5.01 135.00 134.51 1sb3 n PRO 697 Ca 0.13 0.68 -0.22 0.00 -2.02 0.00 0.00 63.50 62.08 1sb3 n PRO 697 Cb 0.38 -2.48 0.05 0.00 -0.02 0.00 0.00 33.50 31.43 1sb3 n PRO 697 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1sb3 s THR 698 N -1.24 2.54 0.46 3.45 -4.23 -1.26 -4.97 115.64 110.39 1sb3 s THR 698 Ca 0.64 -0.61 0.37 0.00 -1.18 0.00 0.00 61.69 60.91 1sb3 s THR 698 Cb -0.47 -2.93 0.39 0.00 1.34 0.00 0.00 72.50 70.83 1sb3 s THR 698 CO 0.55 0.00 2.20 -0.29 -0.54 0.00 0.00 174.62 176.54 1sb3 h ILE 699 N -0.10 0.19 -0.01 2.99 2.10 -1.95 -2.93 117.51 117.81 1sb3 h ILE 699 Ca -0.41 -0.26 -0.00 0.00 1.08 0.00 0.00 64.86 65.26 1sb3 h ILE 699 Cb 1.30 1.21 -0.00 0.00 -1.09 0.00 0.00 36.82 38.23 1sb3 h ILE 699 CO 0.51 0.03 -0.01 0.58 -1.08 0.00 0.00 178.15 178.19 1sb3 h VAL 700 N 0.00 1.33 0.00 2.19 2.07 -2.03 -3.25 116.25 116.56 1sb3 h VAL 700 Ca -0.00 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1sb3 h VAL 700 Cb 0.21 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1sb3 h VAL 700 CO 0.00 0.26 -0.35 -1.84 0.02 0.00 0.00 177.57 175.66 1sb3 n GLU 701 N -4.87 0.04 -1.95 1.57 0.00 -1.22 -4.90 120.64 109.32 1sb3 n GLU 701 Ca -0.08 0.02 -0.42 0.00 0.00 0.00 0.00 57.16 56.68 1sb3 n GLU 701 Cb 0.23 -1.53 -0.02 0.00 0.00 0.00 0.00 31.44 30.11 1sb3 n GLU 701 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 1sb3 s SER 702 N -3.19 6.59 0.81 -1.84 0.01 -1.11 -4.51 113.70 110.46 1sb3 s SER 702 Ca 0.11 2.69 -0.11 0.00 1.31 0.00 0.00 55.95 59.95 1sb3 s SER 702 Cb 0.17 -2.61 0.08 0.00 0.21 0.00 0.00 66.02 63.87 1sb3 s SER 702 CO 0.65 -0.78 1.09 -2.16 0.41 0.00 0.00 173.24 172.45 1sb3 s PRO 703 N 0.18 1.97 0.36 12.44 0.04 -1.24 -5.00 135.00 143.75 1sb3 s PRO 703 Ca 0.64 0.91 -0.21 0.00 0.04 0.00 0.00 61.00 62.38 1sb3 s PRO 703 Cb -0.43 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.12 1sb3 s PRO 703 CO 0.39 -1.77 0.88 0.34 0.04 0.00 0.00 177.00 176.88 1sb3 s ASP 704 N -3.57 7.01 -0.09 6.66 3.68 -0.86 -4.93 116.67 124.57 1sb3 s ASP 704 Ca 0.61 1.60 -0.01 0.00 2.13 0.00 0.00 52.55 56.88 1sb3 s ASP 704 Cb -0.16 -2.50 0.03 0.00 -1.45 0.00 0.00 42.92 38.84 1sb3 s ASP 704 CO 0.56 -0.21 -0.00 -0.63 0.13 0.00 0.00 175.17 175.01 1sb3 s ILE 705 N -1.93 0.46 -0.24 4.11 1.01 -1.26 -1.18 121.20 122.16 1sb3 s ILE 705 Ca 0.55 -0.01 -0.09 0.00 0.00 0.00 0.00 60.65 61.10 1sb3 s ILE 705 Cb -0.12 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 1sb3 s ILE 705 CO 0.17 0.20 0.13 -0.70 0.00 0.00 0.00 174.94 174.75 1sb3 s GLU 706 N 1.93 3.94 -0.16 2.79 2.12 -0.12 -4.98 118.70 124.22 1sb3 s GLU 706 Ca 0.04 -0.34 -0.06 0.00 0.36 0.00 0.00 54.97 54.97 1sb3 s GLU 706 Cb -0.13 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 1sb3 s GLU 706 CO -0.06 -0.01 0.04 0.08 -0.54 0.00 0.00 175.26 174.77 1sb3 s VAL 707 N 1.21 4.61 -0.17 3.70 1.01 -1.26 -1.11 120.40 128.39 1sb3 s VAL 707 Ca 0.06 -0.10 -0.00 0.00 0.00 0.00 0.00 61.98 61.94 1sb3 s VAL 707 Cb -0.14 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1sb3 s VAL 707 CO 0.05 0.49 -0.15 -0.63 0.00 0.00 0.00 175.10 174.87 1sb3 s ILE 708 N 0.14 2.61 -0.10 2.22 1.01 0.57 -4.98 121.20 122.66 1sb3 s ILE 708 Ca 0.04 -0.77 -0.17 0.00 0.00 0.00 0.00 60.65 59.75 1sb3 s ILE 708 Cb -0.12 -2.12 -0.05 0.00 0.01 0.00 0.00 42.46 40.18 1sb3 s ILE 708 CO 0.01 0.51 0.43 -0.63 0.00 0.00 0.00 174.94 175.25 1sb3 s ILE 709 N 1.08 5.17 -0.10 2.92 1.01 -1.26 -1.37 121.20 128.66 1sb3 s ILE 709 Ca -0.00 0.86 0.03 0.00 0.00 0.00 0.00 60.65 61.53 1sb3 s ILE 709 Cb -0.14 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 1sb3 s ILE 709 CO -0.05 0.39 -0.20 -0.69 0.00 0.00 0.00 174.94 174.40 1sb3 s VAL 710 N 0.21 2.45 -0.46 2.92 1.01 0.02 -4.92 120.40 121.63 1sb3 s VAL 710 Ca 0.24 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.36 1sb3 s VAL 710 Cb -0.15 -1.96 0.12 0.00 0.00 0.00 0.00 36.38 34.39 1sb3 s VAL 710 CO 0.10 0.55 0.20 -1.61 0.00 0.00 0.00 175.10 174.34 1sb3 s GLU 711 N 0.14 1.79 0.00 2.72 2.02 -1.26 -1.39 118.70 122.72 1sb3 s GLU 711 Ca -0.11 -2.37 0.26 0.00 0.02 0.00 0.00 54.97 52.78 1sb3 s GLU 711 Cb -0.16 -3.22 1.37 0.00 0.10 0.00 0.00 34.13 32.22 1sb3 s GLU 711 CO 0.06 -1.06 1.90 -1.13 0.02 0.00 0.00 175.26 175.05 1sb3 n SER 712 N 3.47 0.00 -3.11 -0.19 3.41 -1.13 -4.87 113.62 111.20 1sb3 n SER 712 Ca 0.05 -0.24 -0.19 0.00 -0.26 0.00 0.00 58.87 58.23 1sb3 n SER 712 Cb 0.35 -0.23 0.02 0.00 -0.26 0.00 0.00 64.21 64.09 1sb3 n SER 712 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1sb3 n MET 713 N -1.23 -2.20 -2.12 4.33 2.81 0.11 -4.76 117.12 114.06 1sb3 n MET 713 Ca 0.14 1.85 -0.42 0.00 -1.81 0.00 0.00 57.70 57.46 1sb3 n MET 713 Cb 0.18 -4.11 -0.03 0.00 -0.71 0.00 0.00 33.22 28.56 1sb3 n MET 713 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1sb3 s ASP 714 N -2.06 6.78 0.62 7.83 -1.08 0.02 -4.90 116.67 123.88 1sb3 s ASP 714 Ca 0.28 2.45 0.36 0.00 -0.52 0.00 0.00 52.55 55.12 1sb3 s ASP 714 Cb -0.05 -2.60 2.09 0.00 -1.46 0.00 0.00 42.92 40.89 1sb3 s ASP 714 CO 0.78 -0.65 2.31 1.55 0.52 0.00 0.00 175.17 179.68 1sb3 h PRO 715 N 6.09 0.00 -0.00 4.34 0.13 -1.88 -3.09 132.00 137.60 1sb3 h PRO 715 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1sb3 h PRO 715 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1sb3 h PRO 715 CO 0.83 0.00 -0.57 0.09 -0.23 0.00 0.00 178.00 178.13 1sb3 n ASN 716 N -3.51 0.71 -4.87 1.44 4.13 -1.26 -4.94 115.26 106.95 1sb3 n ASN 716 Ca -0.03 -0.85 -0.31 0.00 1.68 0.00 0.00 54.58 55.07 1sb3 n ASN 716 Cb 0.08 0.94 0.00 0.00 -1.54 0.00 0.00 39.78 39.26 1sb3 n ASN 716 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1sb3 s GLY 717 N -2.14 1.72 -0.17 7.41 0.00 -1.17 -4.93 107.32 108.04 1sb3 s GLY 717 Ca 0.06 -0.09 -0.29 0.00 0.00 0.00 0.00 44.72 44.39 1sb3 s GLY 717 CO 0.50 0.17 2.15 -1.55 0.00 0.00 0.00 173.10 174.37 1sb3 n PRO 718 N -2.46 2.10 -1.77 2.90 -0.04 -1.26 -0.29 135.00 134.17 1sb3 n PRO 718 Ca 0.05 0.64 -0.20 0.00 -0.04 0.00 0.00 63.50 63.95 1sb3 n PRO 718 Cb 0.54 -3.09 -0.07 0.00 -0.04 0.00 0.00 33.50 30.84 1sb3 n PRO 718 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1sb3 n PHE 719 N 10.38 -0.28 -0.38 0.54 3.72 -1.26 -1.47 117.46 128.72 1sb3 n PHE 719 Ca 0.28 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.68 1sb3 n PHE 719 Cb 0.41 -3.50 0.00 0.00 -0.94 0.00 0.00 39.48 35.45 1sb3 n PHE 719 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sb3 n GLY 720 N -0.52 0.75 3.81 1.37 0.00 0.60 -4.75 105.19 106.45 1sb3 n GLY 720 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 1sb3 n GLY 720 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sb3 s ALA 721 N -2.40 2.97 0.43 4.61 0.00 -0.54 -0.80 121.76 126.03 1sb3 s ALA 721 Ca 0.00 0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.42 1sb3 s ALA 721 Cb 0.00 -3.18 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 1sb3 s ALA 721 CO 0.00 -0.14 0.10 1.63 0.00 0.00 0.00 175.76 177.35 1sb3 n LYS 722 N -1.00 0.64 -0.90 0.00 5.02 0.26 -4.07 118.16 118.11 1sb3 n LYS 722 Ca 0.08 -3.47 -0.29 0.00 -2.02 0.00 0.00 58.31 52.61 1sb3 n LYS 722 Cb 0.53 1.61 0.23 0.00 -0.02 0.00 0.00 35.03 37.38 1sb3 n LYS 722 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1sb3 s GLU 723 N -3.61 -0.87 -0.01 1.97 4.04 -1.26 -4.73 118.70 114.23 1sb3 s GLU 723 Ca 0.15 0.34 0.08 0.00 0.04 0.00 0.00 54.97 55.58 1sb3 s GLU 723 Cb 0.01 -1.60 0.14 0.00 0.02 0.00 0.00 34.13 32.70 1sb3 s GLU 723 CO 0.10 -3.56 1.07 0.00 -1.84 0.00 0.00 175.26 171.02 1sb3 n ALA 724 N -4.73 3.33 0.00 -0.84 0.00 -1.26 -4.58 120.51 112.43 1sb3 n ALA 724 Ca 0.08 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.33 1sb3 n ALA 724 Cb 0.58 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.56 1sb3 n ALA 724 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1sb3 n SER 725 N 0.09 1.07 -0.02 0.00 3.41 -1.26 -3.94 113.62 112.96 1sb3 n SER 725 Ca -0.18 -0.03 -0.02 0.00 -0.26 0.00 0.00 58.87 58.38 1sb3 n SER 725 Cb 0.83 0.28 -0.02 0.00 -0.26 0.00 0.00 64.21 65.04 1sb3 n SER 725 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1sb3 n GLU 726 N -0.39 2.61 0.05 4.33 1.02 -1.26 -4.58 120.64 122.43 1sb3 n GLU 726 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.17 1sb3 n GLU 726 Cb 0.00 -1.09 0.16 0.00 -0.02 0.00 0.00 31.44 30.49 1sb3 n GLU 726 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sb3 n GLY 727 N 2.92 -0.54 0.31 0.62 0.00 -1.26 -2.25 105.19 104.98 1sb3 n GLY 727 Ca -0.06 0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.08 1sb3 n GLY 727 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1sb3 n MET 728 N -1.67 1.83 0.19 1.61 0.00 -1.26 -2.75 117.12 115.07 1sb3 n MET 728 Ca -0.00 -0.70 -0.14 0.00 0.00 0.00 0.00 57.70 56.86 1sb3 n MET 728 Cb 0.09 -1.22 -0.08 0.00 0.00 0.00 0.00 33.22 32.01 1sb3 n MET 728 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 1sb3 h LEU 729 N 1.50 -0.42 -0.86 3.17 6.46 -1.63 -3.34 115.31 120.19 1sb3 h LEU 729 Ca 0.00 -0.14 0.14 0.00 -0.12 0.00 0.00 57.88 57.76 1sb3 h LEU 729 Cb 0.48 0.11 -0.09 0.00 -0.73 0.00 0.00 40.66 40.43 1sb3 h LEU 729 CO 0.00 -0.06 0.47 0.00 -0.62 0.00 0.00 178.44 178.22 1sb3 h ALA 730 N -0.33 1.29 -0.36 1.25 0.00 -1.84 -2.99 119.26 116.28 1sb3 h ALA 730 Ca -0.05 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.03 1sb3 h ALA 730 Cb 0.53 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1sb3 h ALA 730 CO 0.08 -0.02 0.36 0.78 0.00 0.00 0.00 179.25 180.45 1sb3 h GLY 731 N 0.69 0.00 1.03 0.00 0.00 -1.80 -2.51 103.07 100.48 1sb3 h GLY 731 Ca 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.76 1sb3 h GLY 731 CO -0.33 0.00 0.41 -2.75 0.00 0.00 0.00 176.54 173.87 1sb3 h PHE 732 N 0.00 1.16 0.49 5.60 3.57 -1.72 -2.18 116.94 123.86 1sb3 h PHE 732 Ca 0.17 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1sb3 h PHE 732 Cb 0.89 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1sb3 h PHE 732 CO 0.00 0.83 -0.41 -0.07 -2.23 0.00 0.00 178.31 176.43 1sb3 h LEU 733 N 1.15 -1.09 -0.96 0.59 4.07 -1.67 -1.13 115.31 116.26 1sb3 h LEU 733 Ca 0.28 0.08 -0.06 0.00 0.08 0.00 0.00 57.88 58.26 1sb3 h LEU 733 Cb 0.09 0.35 -0.02 0.00 1.08 0.00 0.00 40.66 42.16 1sb3 h LEU 733 CO -0.04 -0.59 0.08 1.55 -1.08 0.00 0.00 178.44 178.36 1sb3 h PRO 734 N -0.90 0.83 -0.30 1.13 0.13 -1.72 -1.65 132.00 129.53 1sb3 h PRO 734 Ca -0.05 -0.19 0.03 0.00 -0.87 0.00 0.00 66.00 64.91 1sb3 h PRO 734 Cb 0.77 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.76 1sb3 h PRO 734 CO -0.02 0.79 0.12 0.00 -0.23 0.00 0.00 178.00 178.66 1sb3 h ALA 735 N 1.29 0.36 0.00 -0.56 0.00 -1.14 -0.21 119.26 119.00 1sb3 h ALA 735 Ca 0.17 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1sb3 h ALA 735 Cb 0.37 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1sb3 h ALA 735 CO 0.01 -0.27 -0.21 0.97 0.00 0.00 0.00 179.25 179.74 1sb3 h ILE 736 N 0.27 0.45 -0.41 0.00 2.10 -1.09 -1.96 117.51 116.87 1sb3 h ILE 736 Ca 0.13 -1.23 -0.03 0.00 1.08 0.00 0.00 64.86 64.81 1sb3 h ILE 736 Cb 0.08 1.90 -0.02 0.00 -1.09 0.00 0.00 36.82 37.69 1sb3 h ILE 736 CO -0.12 0.21 0.13 -0.74 -1.08 0.00 0.00 178.15 176.55 1sb3 h HIS 737 N 0.00 0.66 -0.56 2.19 2.76 -0.32 -0.21 115.15 119.67 1sb3 h HIS 737 Ca -0.00 -0.07 -0.07 0.00 -2.20 0.00 0.00 60.37 58.04 1sb3 h HIS 737 Cb 0.88 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.63 1sb3 h HIS 737 CO 0.00 0.61 0.10 1.49 -1.30 0.00 0.00 177.93 178.82 1sb3 h GLU 738 N 0.52 0.93 -0.51 5.26 4.81 -0.67 -2.21 114.58 122.70 1sb3 h GLU 738 Ca 0.13 -0.25 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1sb3 h GLU 738 Cb 0.26 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 1sb3 h GLU 738 CO -0.00 0.89 0.29 0.00 -0.73 0.00 0.00 179.01 179.45 1sb3 h ALA 739 N 1.00 1.55 -0.23 2.92 0.00 -1.01 -1.31 119.26 122.18 1sb3 h ALA 739 Ca 0.17 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1sb3 h ALA 739 Cb 0.41 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1sb3 h ALA 739 CO 0.01 0.39 -0.42 0.28 0.00 0.00 0.00 179.25 179.50 1sb3 h VAL 740 N 0.71 1.30 -0.40 0.00 2.07 -0.75 -0.22 116.25 118.96 1sb3 h VAL 740 Ca 0.18 -1.60 -0.04 0.00 0.82 0.00 0.00 66.70 66.06 1sb3 h VAL 740 Cb 0.00 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1sb3 h VAL 740 CO -0.03 0.50 0.08 0.22 0.02 0.00 0.00 177.57 178.36 1sb3 h TYR 741 N 0.46 0.69 -0.15 1.57 3.20 -0.66 -0.56 116.97 121.52 1sb3 h TYR 741 Ca 0.04 -0.09 -0.10 0.00 3.14 0.00 0.00 58.73 61.72 1sb3 h TYR 741 Cb 0.93 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 1sb3 h TYR 741 CO 0.04 0.67 -0.34 1.49 -1.64 0.00 0.00 178.16 178.37 1sb3 h GLU 742 N 0.51 0.31 -0.13 1.82 4.81 -1.15 0.38 114.58 121.13 1sb3 h GLU 742 Ca 0.12 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 1sb3 h GLU 742 Cb 0.34 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1sb3 h GLU 742 CO 0.00 0.62 -0.30 0.00 -0.73 0.00 0.00 179.01 178.60 1sb3 h ALA 743 N 1.38 0.21 0.00 2.92 0.00 -0.59 -3.41 119.26 119.77 1sb3 h ALA 743 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1sb3 h ALA 743 Cb 0.74 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1sb3 h ALA 743 CO 0.06 0.24 0.00 1.33 0.00 0.00 0.00 179.25 180.88 1sb3 n VAL 744 N -4.40 0.20 -1.51 0.00 0.24 -0.26 -2.83 118.33 109.78 1sb3 n VAL 744 Ca -0.07 -0.27 -0.09 0.00 -2.04 0.00 0.00 64.34 61.87 1sb3 n VAL 744 Cb 0.48 1.16 -0.03 0.00 -1.47 0.00 0.00 33.84 33.98 1sb3 n VAL 744 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1sb3 n GLY 745 N -0.10 0.78 3.52 7.63 0.00 0.13 -5.02 105.19 112.14 1sb3 n GLY 745 Ca 0.00 -0.59 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 1sb3 n GLY 745 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sb3 s VAL 746 N -2.37 2.97 -0.38 1.61 -7.23 -1.26 -5.00 120.40 108.75 1sb3 s VAL 746 Ca 0.00 -1.63 -0.01 0.00 -1.81 0.00 0.00 61.98 58.53 1sb3 s VAL 746 Cb 0.00 -2.42 0.10 0.00 0.56 0.00 0.00 36.38 34.62 1sb3 s VAL 746 CO 0.00 -0.02 0.13 -0.13 -0.31 0.00 0.00 175.10 174.77 1sb3 s ARG 747 N -2.53 1.89 0.51 4.82 0.52 -1.26 -3.70 118.95 119.21 1sb3 s ARG 747 Ca 0.22 -1.78 -0.21 0.00 -0.52 0.00 0.00 55.73 53.44 1sb3 s ARG 747 Cb -0.09 -3.43 -0.06 0.00 0.52 0.00 0.00 34.95 31.89 1sb3 s ARG 747 CO 0.13 -0.98 1.19 0.00 0.02 0.00 0.00 175.30 175.66 1sb3 s ALA 748 N 1.08 2.82 0.00 2.13 0.00 -1.26 -4.93 121.76 121.60 1sb3 s ALA 748 Ca 0.07 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.02 1sb3 s ALA 748 Cb -0.21 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1sb3 s ALA 748 CO -0.05 -0.87 0.00 0.25 0.00 0.00 0.00 175.76 175.09 1sb3 n THR 749 N -0.92 0.00 -4.96 0.00 -2.24 -1.26 -5.02 114.28 99.88 1sb3 n THR 749 Ca 0.10 -0.32 -0.30 0.00 -2.27 0.00 0.00 64.05 61.25 1sb3 n THR 749 Cb 0.48 0.91 -0.17 0.00 -2.10 0.00 0.00 70.33 69.45 1sb3 n THR 749 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1sb3 s ASP 750 N -0.87 2.73 0.02 3.42 1.01 -1.26 -0.79 116.67 120.92 1sb3 s ASP 750 Ca 0.00 -0.49 -0.00 0.00 0.71 0.00 0.00 52.55 52.77 1sb3 s ASP 750 Cb 0.00 -1.25 -0.04 0.00 1.01 0.00 0.00 42.92 42.64 1sb3 s ASP 750 CO 0.00 0.11 0.11 -0.36 0.21 0.00 0.00 175.17 175.25 1sb3 s PHE 751 N 0.51 3.35 0.62 4.23 0.40 -0.41 -4.13 117.98 122.54 1sb3 s PHE 751 Ca -0.16 0.22 -0.14 0.00 -0.60 0.00 0.00 56.93 56.25 1sb3 s PHE 751 Cb -0.17 -1.74 -0.03 0.00 0.51 0.00 0.00 43.02 41.59 1sb3 s PHE 751 CO 0.06 0.57 1.05 -1.25 0.70 0.00 0.00 175.22 176.35 1sb3 s PRO 752 N -1.96 3.30 -0.61 0.24 0.04 -1.26 -1.43 135.00 133.32 1sb3 s PRO 752 Ca 0.26 1.08 -0.07 0.00 0.04 0.00 0.00 61.00 62.31 1sb3 s PRO 752 Cb -0.12 -2.03 -0.18 0.00 0.04 0.00 0.00 34.50 32.21 1sb3 s PRO 752 CO 0.18 -0.82 3.32 1.28 0.04 0.00 0.00 177.00 181.00 1sb3 n LEU 753 N -2.33 6.57 -4.72 -3.56 4.77 0.19 -4.82 117.00 113.10 1sb3 n LEU 753 Ca 0.08 -3.68 -0.29 0.00 -0.03 0.00 0.00 56.01 52.08 1sb3 n LEU 753 Cb 0.53 -1.45 0.14 0.00 -2.33 0.00 0.00 43.42 40.31 1sb3 n LEU 753 CO 0.50 1.84 0.67 -0.94 -1.33 0.00 0.00 177.39 178.13 1sb3 s SER 754 N 1.89 3.37 0.29 -1.43 1.04 -1.23 -4.66 113.70 112.98 1sb3 s SER 754 Ca 0.67 1.38 0.03 0.00 0.48 0.00 0.00 55.95 58.51 1sb3 s SER 754 Cb 0.27 -2.06 0.62 0.00 0.10 0.00 0.00 66.02 64.96 1sb3 s SER 754 CO -0.04 -2.69 1.80 -0.65 0.98 0.00 0.00 173.24 172.64 1sb3 h PRO 755 N -1.58 0.82 -0.82 4.02 0.11 -1.85 -2.03 132.00 130.66 1sb3 h PRO 755 Ca -0.50 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.56 1sb3 h PRO 755 Cb 1.29 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 1sb3 h PRO 755 CO 0.56 0.54 0.54 0.38 -0.21 0.00 0.00 178.00 179.81 1sb3 h ASP 756 N 0.84 0.94 -0.15 -2.05 2.03 -1.88 -0.17 116.42 115.98 1sb3 h ASP 756 Ca 0.53 -0.03 -0.22 0.00 -0.73 0.00 0.00 57.03 56.58 1sb3 h ASP 756 Cb 0.68 -0.23 0.01 0.00 -0.83 0.00 0.00 39.33 38.96 1sb3 h ASP 756 CO -0.33 0.68 -0.77 0.03 -1.03 0.00 0.00 179.24 177.82 1sb3 h ARG 757 N 1.11 0.79 -0.32 4.15 3.08 -1.71 -2.88 114.38 118.60 1sb3 h ARG 757 Ca 0.30 -0.65 -0.02 0.00 0.07 0.00 0.00 59.98 59.68 1sb3 h ARG 757 Cb -0.12 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1sb3 h ARG 757 CO -0.06 1.25 0.11 0.82 -1.07 0.00 0.00 179.97 181.02 1sb3 h ILE 758 N 0.53 1.20 0.00 2.04 1.08 -1.21 -1.73 117.51 119.41 1sb3 h ILE 758 Ca -0.05 -0.64 -0.04 0.00 -0.39 0.00 0.00 64.86 63.73 1sb3 h ILE 758 Cb 1.40 1.02 -0.01 0.00 -3.07 0.00 0.00 36.82 36.16 1sb3 h ILE 758 CO 0.16 0.22 -0.21 0.71 -0.69 0.00 0.00 178.15 178.33 1sb3 h THR 759 N 0.36 1.02 -0.37 -0.27 1.35 -1.10 0.41 112.91 114.32 1sb3 h THR 759 Ca 0.10 -0.77 -0.16 0.00 -0.55 0.00 0.00 66.41 65.04 1sb3 h THR 759 Cb 0.23 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.08 1sb3 h THR 759 CO -0.00 0.21 -0.40 -0.33 -0.25 0.00 0.00 175.52 174.75 1sb3 h GLU 760 N 0.00 0.90 -0.43 4.72 5.08 -1.24 -1.21 114.58 122.39 1sb3 h GLU 760 Ca -0.00 -0.48 -0.10 0.00 -1.00 0.00 0.00 59.36 57.78 1sb3 h GLU 760 Cb 0.41 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1sb3 h GLU 760 CO 0.03 1.13 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.94 1sb3 h LEU 761 N 0.73 0.80 -0.78 1.33 3.38 -0.58 -2.16 115.31 118.03 1sb3 h LEU 761 Ca 0.06 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.65 1sb3 h LEU 761 Cb 0.98 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1sb3 h LEU 761 CO 0.10 0.96 -0.28 -0.07 0.09 0.00 0.00 178.44 179.24 1sb3 h LEU 762 N 0.71 0.62 -0.67 1.67 3.38 -0.80 -1.94 115.31 118.28 1sb3 h LEU 762 Ca 0.11 -0.23 -0.14 0.00 0.09 0.00 0.00 57.88 57.71 1sb3 h LEU 762 Cb 0.66 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1sb3 h LEU 762 CO 0.05 0.87 -0.62 0.44 0.09 0.00 0.00 178.44 179.27 1sb3 h ASP 763 N 0.53 0.20 -0.01 -0.43 3.32 -1.05 -2.71 116.42 116.26 1sb3 h ASP 763 Ca 0.07 -0.11 -0.17 0.00 0.02 0.00 0.00 57.03 56.83 1sb3 h ASP 763 Cb 0.75 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 40.26 1sb3 h ASP 763 CO 0.06 0.76 -0.66 0.00 -1.72 0.00 0.00 179.24 177.68 1sb3 h ALA 764 N 1.24 0.10 0.00 3.45 0.00 -1.24 -2.41 119.26 120.39 1sb3 h ALA 764 Ca -0.01 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 1sb3 h ALA 764 Cb 1.12 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1sb3 h ALA 764 CO 0.09 0.41 -0.08 -0.22 0.00 0.00 0.00 179.25 179.46 1sb3 h LYS 765 N 0.01 0.00 0.00 0.00 3.64 -1.40 -1.41 116.57 117.41 1sb3 h LYS 765 Ca -0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1sb3 h LYS 765 Cb 1.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1sb3 h LYS 765 CO 0.13 0.08 -0.88 1.49 -2.27 0.00 0.00 179.45 178.00 1sb3 h GLU 766 N 0.00 0.00 -0.01 1.90 4.81 -1.44 -3.30 114.58 116.54 1sb3 h GLU 766 Ca -0.00 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.99 1sb3 h GLU 766 Cb 0.31 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.70 1sb3 h GLU 766 CO 0.01 0.00 -0.96 0.00 -0.73 0.00 0.00 179.01 177.33 1sb3 h ALA 767 N 2.11 0.28 -3.46 2.92 0.00 -0.75 -3.46 119.26 116.91 1sb3 h ALA 767 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1sb3 h ALA 767 Cb 0.95 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1sb3 h ALA 767 CO 0.00 0.76 0.00 0.00 0.00 0.00 0.00 179.25 180.01 1sb3 n ALA 768 N -2.58 0.00 -0.24 0.00 0.00 -0.87 -5.11 120.51 111.71 1sb3 n ALA 768 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1sb3 n ALA 768 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.29 1sb3 n ALA 768 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50