#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5nuc s HIS 8 N 0.00 0.37 0.28 -1.77 5.65 -1.26 -5.11 115.29 113.46 5nuc s HIS 8 Ca 0.00 -0.05 -0.18 0.00 0.25 0.00 0.00 55.06 55.08 5nuc s HIS 8 Cb 0.00 -0.37 -0.09 0.00 -1.18 0.00 0.00 32.58 30.94 5nuc s HIS 8 CO 0.00 -0.09 0.76 0.15 -0.65 0.00 0.00 174.74 174.91 5nuc s LYS 9 N 0.60 4.18 0.03 2.88 1.02 -1.26 -4.29 119.74 122.89 5nuc s LYS 9 Ca -0.06 0.85 0.01 0.00 0.02 0.00 0.00 55.97 56.79 5nuc s LYS 9 Cb -0.09 -2.65 -0.02 0.00 -0.52 0.00 0.00 37.83 34.55 5nuc s LYS 9 CO -0.01 0.26 -0.06 -1.21 -0.92 0.00 0.00 175.35 173.42 5nuc s GLU 10 N -2.46 0.42 0.52 1.68 2.02 -0.16 -4.95 118.70 115.77 5nuc s GLU 10 Ca 0.49 -0.58 -0.19 0.00 0.02 0.00 0.00 54.97 54.71 5nuc s GLU 10 Cb -0.14 -0.18 -0.07 0.00 0.10 0.00 0.00 34.13 33.84 5nuc s GLU 10 CO 0.19 0.03 1.06 -2.14 0.02 0.00 0.00 175.26 174.42 5nuc s PRO 11 N -1.22 3.60 0.18 0.39 0.02 -1.26 0.07 135.00 136.78 5nuc s PRO 11 Ca -0.09 1.39 -0.11 0.00 0.02 0.00 0.00 61.00 62.21 5nuc s PRO 11 Cb -0.08 -2.06 -0.00 0.00 0.02 0.00 0.00 34.50 32.37 5nuc s PRO 11 CO -0.00 -0.60 0.35 0.00 -0.33 0.00 0.00 177.00 176.41 5nuc s ALA 12 N -2.03 -0.17 -0.08 -1.55 0.00 -0.81 -4.74 121.76 112.38 5nuc s ALA 12 Ca 0.68 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.88 5nuc s ALA 12 Cb -0.18 0.89 0.01 0.00 0.00 0.00 0.00 23.12 23.84 5nuc s ALA 12 CO 0.25 -0.70 -0.16 0.99 0.00 0.00 0.00 175.76 176.14 5nuc s THR 13 N -3.96 1.42 0.17 0.00 2.01 -0.71 -4.30 115.64 110.27 5nuc s THR 13 Ca 0.17 -0.64 -0.31 0.00 0.31 0.00 0.00 61.69 61.22 5nuc s THR 13 Cb 0.02 -1.27 -0.09 0.00 0.01 0.00 0.00 72.50 71.17 5nuc s THR 13 CO 0.01 0.42 1.39 -0.22 -0.69 0.00 0.00 174.62 175.53 5nuc s LEU 14 N 0.59 4.39 -0.14 4.42 0.20 -1.26 -0.60 118.68 126.27 5nuc s LEU 14 Ca -0.15 2.45 -0.07 0.00 0.69 0.00 0.00 54.13 57.05 5nuc s LEU 14 Cb -0.16 -3.60 -0.06 0.00 -0.43 0.00 0.00 46.19 41.93 5nuc s LEU 14 CO 0.05 -0.64 -0.18 -0.38 -0.29 0.00 0.00 176.35 174.91 5nuc n ILE 15 N 3.22 0.78 -3.63 6.68 5.41 -0.33 -4.85 119.36 126.63 5nuc n ILE 15 Ca 0.09 -0.20 -0.04 0.00 1.00 0.00 0.00 62.75 63.60 5nuc n ILE 15 Cb 0.42 -1.67 -0.06 0.00 -0.71 0.00 0.00 39.64 37.61 5nuc n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 5nuc s LYS 16 N -2.26 0.58 -0.16 0.38 2.20 -1.00 -4.99 119.74 114.49 5nuc s LYS 16 Ca -0.20 1.11 -0.26 0.00 -0.36 0.00 0.00 55.97 56.26 5nuc s LYS 16 Cb 0.08 0.28 -0.01 0.00 -1.51 0.00 0.00 37.83 36.66 5nuc s LYS 16 CO 0.25 -0.14 0.86 0.00 -0.36 0.00 0.00 175.35 175.96 5nuc s ALA 17 N 1.86 3.51 -0.14 3.13 0.00 -1.26 -0.67 121.76 128.18 5nuc s ALA 17 Ca -0.09 0.09 -0.10 0.00 0.00 0.00 0.00 51.96 51.86 5nuc s ALA 17 Cb -0.06 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 5nuc s ALA 17 CO -0.19 -0.65 -0.19 -0.89 0.00 0.00 0.00 175.76 173.84 5nuc n ILE 18 N 4.72 1.38 -2.97 0.00 5.41 -0.86 -4.97 119.36 122.07 5nuc n ILE 18 Ca 0.05 0.22 0.00 0.00 1.00 0.00 0.00 62.75 64.02 5nuc n ILE 18 Cb 0.49 -2.37 0.00 0.00 -0.71 0.00 0.00 39.64 37.05 5nuc n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 5nuc n ASP 19 N -4.54 0.00 0.08 4.38 5.75 -0.91 -5.01 116.55 116.30 5nuc n ASP 19 Ca -0.08 -0.23 0.09 0.00 -0.01 0.00 0.00 54.79 54.56 5nuc n ASP 19 Cb 0.28 0.00 0.55 0.00 -1.03 0.00 0.00 41.12 40.92 5nuc n ASP 19 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 5nuc h GLY 20 N 0.00 0.30 0.00 6.12 0.00 -1.83 -3.29 103.07 104.37 5nuc h GLY 20 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.23 5nuc h GLY 20 CO 0.00 0.09 0.00 2.09 0.00 0.00 0.00 176.54 178.72 5nuc n ASP 21 N -4.49 1.06 -4.13 0.19 5.68 -1.26 -4.80 116.55 108.80 5nuc n ASP 21 Ca 0.03 -1.52 -0.12 0.00 -0.50 0.00 0.00 54.79 52.68 5nuc n ASP 21 Cb 0.19 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.06 5nuc n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 5nuc s THR 22 N -0.52 0.65 -0.07 2.12 2.01 -1.24 -1.50 115.64 117.10 5nuc s THR 22 Ca 0.00 -1.56 0.02 0.00 0.31 0.00 0.00 61.69 60.46 5nuc s THR 22 Cb 0.00 -1.22 0.01 0.00 0.01 0.00 0.00 72.50 71.31 5nuc s THR 22 CO 0.00 -0.65 -0.11 -0.54 -0.69 0.00 0.00 174.62 172.63 5nuc s LYS 24 N -2.82 1.64 0.08 4.92 1.02 0.16 -2.03 119.74 122.70 5nuc s LYS 24 Ca 0.02 -0.39 0.02 0.00 0.02 0.00 0.00 55.97 55.65 5nuc s LYS 24 Cb -0.02 -1.39 -0.04 0.00 -0.52 0.00 0.00 37.83 35.87 5nuc s LYS 24 CO -0.02 0.00 -0.08 -0.51 -0.92 0.00 0.00 175.35 173.82 5nuc s LEU 25 N 0.74 2.41 -0.30 3.17 1.43 0.81 -1.19 118.68 125.76 5nuc s LEU 25 Ca -0.13 -0.83 -0.16 0.00 -1.03 0.00 0.00 54.13 51.99 5nuc s LEU 25 Cb -0.16 -0.16 -0.03 0.00 0.03 0.00 0.00 46.19 45.88 5nuc s LEU 25 CO 0.03 -0.34 0.40 -0.32 0.23 0.00 0.00 176.35 176.35 5nuc s MET 26 N -2.92 3.86 -0.05 1.70 -2.45 0.23 -0.30 119.30 119.37 5nuc s MET 26 Ca 0.04 -0.08 0.01 0.00 -1.25 0.00 0.00 55.69 54.42 5nuc s MET 26 Cb -0.01 -3.71 0.02 0.00 1.25 0.00 0.00 34.83 32.38 5nuc s MET 26 CO -0.02 -0.39 -0.06 -0.47 1.05 0.00 0.00 175.02 175.13 5nuc s TYR 27 N 2.12 0.85 -1.43 4.11 5.04 0.11 -1.74 117.35 126.42 5nuc s TYR 27 Ca 0.15 -0.25 -0.04 0.00 -2.44 0.00 0.00 57.07 54.48 5nuc s TYR 27 Cb -0.16 -0.72 0.02 0.00 0.35 0.00 0.00 41.96 41.45 5nuc s TYR 27 CO 0.11 -0.20 0.38 1.63 -1.34 0.00 0.00 175.55 176.13 5nuc n LYS 28 N 3.98 -3.55 0.00 4.97 4.01 -1.26 -0.47 118.16 125.83 5nuc n LYS 28 Ca -0.25 0.75 0.00 0.00 -0.51 0.00 0.00 58.31 58.30 5nuc n LYS 28 Cb 0.51 -5.50 0.00 0.00 -0.51 0.00 0.00 35.03 29.53 5nuc n LYS 28 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 5nuc n GLY 29 N -1.23 2.56 3.50 0.72 0.00 -1.26 -5.01 105.19 104.46 5nuc n GLY 29 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 5nuc n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 5nuc s GLN 30 N -0.26 2.80 0.20 1.61 0.00 0.38 -5.08 119.66 119.31 5nuc s GLN 30 Ca 0.00 -0.63 -0.30 0.00 -0.00 0.00 0.00 55.36 54.43 5nuc s GLN 30 Cb 0.00 -2.53 -0.08 0.00 0.00 0.00 0.00 33.01 30.40 5nuc s GLN 30 CO 0.00 0.55 1.13 -1.25 0.00 0.00 0.00 175.29 175.73 5nuc s PRO 31 N -0.53 4.57 0.01 9.60 0.04 -1.26 -0.71 135.00 146.72 5nuc s PRO 31 Ca 0.07 1.79 -0.28 0.00 0.04 0.00 0.00 61.00 62.62 5nuc s PRO 31 Cb -0.12 -3.24 0.08 0.00 0.04 0.00 0.00 34.50 31.26 5nuc s PRO 31 CO 0.02 0.05 0.72 0.00 0.04 0.00 0.00 177.00 177.83 5nuc s MET 32 N -0.59 1.04 0.09 4.56 0.23 0.59 -4.94 119.30 120.28 5nuc s MET 32 Ca 0.49 -0.04 -0.21 0.00 -1.03 0.00 0.00 55.69 54.90 5nuc s MET 32 Cb -0.31 0.49 -0.07 0.00 -1.53 0.00 0.00 34.83 33.41 5nuc s MET 32 CO 0.37 -0.39 0.64 -0.08 -2.03 0.00 0.00 175.02 173.53 5nuc s THR 33 N -2.19 4.65 0.13 3.16 -1.32 -1.26 -0.13 115.64 118.68 5nuc s THR 33 Ca -0.04 1.38 0.09 0.00 -1.21 0.00 0.00 61.69 61.91 5nuc s THR 33 Cb -0.00 -3.98 -0.04 0.00 -1.51 0.00 0.00 72.50 66.96 5nuc s THR 33 CO -0.00 0.52 -0.18 -0.36 -2.21 0.00 0.00 174.62 172.39 5nuc s PHE 34 N -0.98 2.50 -0.05 9.09 0.40 -1.26 -1.43 117.98 126.25 5nuc s PHE 34 Ca 0.32 -0.28 0.02 0.00 -0.60 0.00 0.00 56.93 56.39 5nuc s PHE 34 Cb -0.20 -1.31 0.01 0.00 0.51 0.00 0.00 43.02 42.03 5nuc s PHE 34 CO 0.21 0.41 -0.11 0.50 0.70 0.00 0.00 175.22 176.93 5nuc s ARG 35 N -2.28 1.48 0.15 0.44 6.06 -0.09 -4.28 118.95 120.42 5nuc s ARG 35 Ca 0.19 -0.37 -0.31 0.00 -2.50 0.00 0.00 55.73 52.74 5nuc s ARG 35 Cb -0.10 -1.26 -0.09 0.00 0.06 0.00 0.00 34.95 33.56 5nuc s ARG 35 CO 0.10 0.04 1.44 -0.51 -2.50 0.00 0.00 175.30 173.87 5nuc s LEU 36 N 0.58 4.38 0.41 -0.88 1.43 -0.56 -3.03 118.68 121.00 5nuc s LEU 36 Ca -0.12 2.45 -0.25 0.00 -1.03 0.00 0.00 54.13 55.18 5nuc s LEU 36 Cb -0.14 -3.59 -0.08 0.00 0.03 0.00 0.00 46.19 42.40 5nuc s LEU 36 CO 0.03 -0.70 1.14 -0.76 0.23 0.00 0.00 176.35 176.29 5nuc s LEU 37 N 0.88 4.15 -0.01 1.79 1.43 -0.42 -4.02 118.68 122.48 5nuc s LEU 37 Ca 0.65 2.27 0.00 0.00 -1.03 0.00 0.00 54.13 56.02 5nuc s LEU 37 Cb -0.39 -4.10 0.00 0.00 0.03 0.00 0.00 46.19 41.73 5nuc s LEU 37 CO 0.32 -0.68 0.00 0.18 0.23 0.00 0.00 176.35 176.41 5nuc n LEU 38 N -0.06 0.72 -4.22 1.79 4.77 -1.26 -4.93 117.00 113.82 5nuc n LEU 38 Ca 0.05 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.91 5nuc n LEU 38 Cb 0.47 -1.95 -0.10 0.00 -2.33 0.00 0.00 43.42 39.51 5nuc n LEU 38 CO 0.49 -0.72 -0.27 0.68 -1.33 0.00 0.00 177.39 176.23 5nuc s VAL 39 N -1.28 0.25 -0.21 4.08 -7.23 -1.21 -1.05 120.40 113.75 5nuc s VAL 39 Ca 0.00 -1.97 -0.04 0.00 -1.81 0.00 0.00 61.98 58.16 5nuc s VAL 39 Cb 0.00 -2.35 0.10 0.00 0.56 0.00 0.00 36.38 34.70 5nuc s VAL 39 CO 0.00 -0.20 0.27 -0.62 -0.31 0.00 0.00 175.10 174.24 5nuc s ASP 40 N -3.16 1.01 0.36 4.85 2.15 -0.69 -4.65 116.67 116.54 5nuc s ASP 40 Ca 0.32 -0.06 -0.08 0.00 0.43 0.00 0.00 52.55 53.16 5nuc s ASP 40 Cb 0.07 0.61 -0.06 0.00 -0.30 0.00 0.00 42.92 43.24 5nuc s ASP 40 CO 0.08 -0.32 0.69 0.42 -0.17 0.00 0.00 175.17 175.87 5nuc s THR 41 N 2.39 4.88 0.62 1.71 -4.23 -1.26 -2.39 115.64 117.36 5nuc s THR 41 Ca 0.08 0.39 -0.19 0.00 -1.18 0.00 0.00 61.69 60.79 5nuc s THR 41 Cb -0.15 -3.74 -0.02 0.00 1.34 0.00 0.00 72.50 69.92 5nuc s THR 41 CO -0.13 -0.45 1.27 -2.84 -0.54 0.00 0.00 174.62 171.92 5nuc s PRO 42 N -3.76 2.77 0.45 3.99 0.02 -1.26 -4.91 135.00 132.30 5nuc s PRO 42 Ca 0.48 1.99 -0.23 0.00 0.02 0.00 0.00 61.00 63.26 5nuc s PRO 42 Cb -0.10 -1.92 -0.08 0.00 0.02 0.00 0.00 34.50 32.42 5nuc s PRO 42 CO 0.31 -1.41 1.18 -2.00 -0.33 0.00 0.00 177.00 174.75 5nuc s GLU 43 N -3.31 3.79 0.00 5.54 2.56 -1.26 -4.42 118.70 121.60 5nuc s GLU 43 Ca 0.80 1.82 0.00 0.00 0.00 0.00 0.00 54.97 57.59 5nuc s GLU 43 Cb -0.35 -2.46 0.00 0.00 2.00 0.00 0.00 34.13 33.32 5nuc s GLU 43 CO 0.38 -0.54 0.03 0.25 -0.56 0.00 0.00 175.26 174.82 5nuc n THR 44 N -0.38 0.00 0.00 -1.70 -2.24 -1.25 -1.47 114.28 107.23 5nuc n THR 44 Ca 0.07 -0.08 -0.00 0.00 -2.27 0.00 0.00 64.05 61.77 5nuc n THR 44 Cb 0.47 1.31 -0.00 0.00 -2.10 0.00 0.00 70.33 70.01 5nuc n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 5nuc n LYS 45 N -0.10 0.01 -1.57 -0.78 4.01 -1.26 -4.75 118.16 113.73 5nuc n LYS 45 Ca 0.00 0.00 -0.50 0.00 -0.51 0.00 0.00 58.31 57.31 5nuc n LYS 45 Cb 0.08 -0.21 -0.06 0.00 -0.51 0.00 0.00 35.03 34.32 5nuc n LYS 45 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 5nuc n HIS 46 N -2.59 1.92 0.01 2.13 -0.00 -1.26 -4.79 115.22 110.64 5nuc n HIS 46 Ca -0.00 0.16 0.20 0.00 0.46 0.00 0.00 57.72 58.53 5nuc n HIS 46 Cb 0.01 -2.59 0.69 0.00 -0.12 0.00 0.00 29.99 27.98 5nuc n HIS 46 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 5nuc h PRO 47 N 11.35 0.00 -0.77 1.57 0.11 -1.95 0.21 132.00 142.52 5nuc h PRO 47 Ca -0.38 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.85 5nuc h PRO 47 Cb 1.29 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.35 5nuc h PRO 47 CO 0.98 0.00 0.51 -0.22 -0.21 0.00 0.00 178.00 179.06 5nuc h LYS 48 N 0.00 0.58 0.00 1.05 3.64 -2.04 -2.50 116.57 117.29 5nuc h LYS 48 Ca 0.24 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.50 5nuc h LYS 48 Cb 0.98 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.65 5nuc h LYS 48 CO -0.00 0.38 -1.91 1.63 -2.27 0.00 0.00 179.45 177.28 5nuc n LYS 49 N -4.50 0.76 0.00 1.90 5.02 -0.28 -5.10 118.16 115.96 5nuc n LYS 49 Ca 0.14 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 5nuc n LYS 49 Cb 0.41 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 5nuc n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 5nuc n GLY 50 N 1.63 -0.13 3.42 0.72 0.00 0.59 -4.34 105.19 107.07 5nuc n GLY 50 Ca -0.10 -1.02 -0.44 0.00 0.00 0.00 0.00 46.02 44.46 5nuc n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 5nuc s VAL 51 N 0.00 4.61 0.63 1.61 1.01 -1.26 -3.93 120.40 123.07 5nuc s VAL 51 Ca 0.00 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 60.99 5nuc s VAL 51 Cb 0.00 -4.62 -0.03 0.00 0.00 0.00 0.00 36.38 31.73 5nuc s VAL 51 CO 0.00 -1.33 1.04 -1.61 0.00 0.00 0.00 175.10 173.20 5nuc s GLU 52 N 3.20 3.31 0.18 2.72 2.02 -0.54 -4.98 118.70 124.63 5nuc s GLU 52 Ca 0.20 0.97 -0.32 0.00 0.02 0.00 0.00 54.97 55.84 5nuc s GLU 52 Cb -0.17 -2.04 -0.12 0.00 0.10 0.00 0.00 34.13 31.90 5nuc s GLU 52 CO 0.05 -0.80 1.75 1.63 0.02 0.00 0.00 175.26 177.91 5nuc n LYS 53 N -2.57 2.75 -0.47 1.61 4.76 -1.26 -2.01 118.16 120.97 5nuc n LYS 53 Ca 0.07 0.99 0.00 0.00 -2.87 0.00 0.00 58.31 56.51 5nuc n LYS 53 Cb 0.54 -2.85 0.00 0.00 -1.84 0.00 0.00 35.03 30.88 5nuc n LYS 53 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 5nuc n TYR 54 N 4.35 0.00 -0.04 2.13 4.01 -1.26 -4.77 117.16 121.59 5nuc n TYR 54 Ca 0.17 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.82 5nuc n TYR 54 Cb 0.35 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.35 5nuc n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 5nuc h GLY 55 N 0.00 0.15 1.22 2.72 0.00 -1.61 0.10 103.07 105.66 5nuc h GLY 55 Ca 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 47.33 47.32 5nuc h GLY 55 CO 0.00 -0.06 0.14 -2.55 0.00 0.00 0.00 176.54 174.06 5nuc h PRO 56 N 0.02 0.97 -0.33 4.80 0.11 -1.87 -1.99 132.00 133.71 5nuc h PRO 56 Ca 0.09 -0.22 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 5nuc h PRO 56 Cb 0.13 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 5nuc h PRO 56 CO -0.18 0.87 0.17 0.93 -0.21 0.00 0.00 178.00 179.58 5nuc h GLU 57 N 0.92 0.46 -0.49 1.05 3.07 -1.81 -1.39 114.58 116.40 5nuc h GLU 57 Ca 0.19 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 58.99 5nuc h GLU 57 Cb 0.35 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 5nuc h GLU 57 CO 0.00 0.40 0.29 0.00 -1.40 0.00 0.00 179.01 178.30 5nuc h ALA 58 N 1.04 0.62 -0.34 3.43 0.00 -0.56 -1.03 119.26 122.41 5nuc h ALA 58 Ca 0.12 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.00 5nuc h ALA 58 Cb 0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 5nuc h ALA 58 CO -0.02 0.12 0.10 0.77 0.00 0.00 0.00 179.25 180.22 5nuc h SER 59 N 0.65 0.08 -0.70 0.00 0.02 -1.11 -0.54 113.55 111.94 5nuc h SER 59 Ca 0.17 0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 61.10 5nuc h SER 59 Cb 0.01 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 5nuc h SER 59 CO -0.03 0.08 0.19 0.00 -1.14 0.00 0.00 176.83 175.93 5nuc h ALA 60 N 1.23 0.99 0.04 3.77 0.00 -0.94 0.23 119.26 124.59 5nuc h ALA 60 Ca 0.16 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 5nuc h ALA 60 Cb 0.15 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.67 5nuc h ALA 60 CO -0.18 0.66 -0.02 0.35 0.00 0.00 0.00 179.25 180.06 5nuc h PHE 61 N 1.07 -0.05 -0.57 0.00 3.57 -0.71 -0.43 116.94 119.81 5nuc h PHE 61 Ca 0.23 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.74 5nuc h PHE 61 Cb 0.34 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 5nuc h PHE 61 CO 0.03 0.14 0.36 1.15 -2.23 0.00 0.00 178.31 177.76 5nuc h THR 62 N -0.23 1.11 -0.18 4.41 2.02 -1.01 -1.55 112.91 117.48 5nuc h THR 62 Ca -0.01 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 66.93 5nuc h THR 62 Cb 0.21 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 5nuc h THR 62 CO 0.01 0.13 0.09 0.50 0.37 0.00 0.00 175.52 176.62 5nuc h LYS 63 N 0.73 0.19 0.65 6.66 3.64 -0.74 -1.86 116.57 125.83 5nuc h LYS 63 Ca 0.22 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 5nuc h LYS 63 Cb -0.04 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 31.75 5nuc h LYS 63 CO -0.07 0.12 -0.31 0.87 -2.27 0.00 0.00 179.45 177.79 5nuc h LYS 64 N 0.19 -0.84 -0.95 1.90 1.79 -0.92 -1.54 116.57 116.21 5nuc h LYS 64 Ca 0.07 0.06 0.26 0.00 -2.18 0.00 0.00 60.65 58.86 5nuc h LYS 64 Cb 0.01 0.19 -0.17 0.00 -1.58 0.00 0.00 32.23 30.68 5nuc h LYS 64 CO -0.05 -0.52 0.08 1.98 -1.08 0.00 0.00 179.45 179.86 5nuc h MET 65 N -1.03 0.04 0.00 3.15 4.05 -1.20 -0.42 114.93 119.53 5nuc h MET 65 Ca -0.09 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.33 5nuc h MET 65 Cb 0.71 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.50 5nuc h MET 65 CO 0.15 0.03 -1.03 1.33 0.23 0.00 0.00 176.91 177.61 5nuc n VAL 66 N -5.43 0.37 0.19 -5.77 0.24 -0.71 -4.01 118.33 103.22 5nuc n VAL 66 Ca 0.23 -0.40 0.07 0.00 -2.04 0.00 0.00 64.34 62.20 5nuc n VAL 66 Cb 0.75 -0.10 0.30 0.00 -1.47 0.00 0.00 33.84 33.32 5nuc n VAL 66 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 5nuc h GLU 67 N 0.00 0.00 -0.53 7.34 5.08 0.01 -3.18 114.58 123.29 5nuc h GLU 67 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 5nuc h GLU 67 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 5nuc h GLU 67 CO 0.00 0.31 0.00 0.09 -1.00 0.00 0.00 179.01 178.41 5nuc n ASN 68 N -3.34 3.43 -4.74 1.42 5.03 -1.16 -4.99 115.26 110.90 5nuc n ASN 68 Ca 0.01 -2.00 -0.41 0.00 0.87 0.00 0.00 54.58 53.05 5nuc n ASN 68 Cb 0.53 -0.36 -0.05 0.00 -1.02 0.00 0.00 39.78 38.89 5nuc n ASN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 5nuc s ALA 69 N -1.00 3.34 0.06 5.41 0.00 -1.21 -4.95 121.76 123.41 5nuc s ALA 69 Ca 0.36 0.72 -0.15 0.00 0.00 0.00 0.00 51.96 52.89 5nuc s ALA 69 Cb 0.19 -3.29 -0.27 0.00 0.00 0.00 0.00 23.12 19.74 5nuc s ALA 69 CO 0.24 -0.04 1.12 0.87 0.00 0.00 0.00 175.76 177.96 5nuc h LYS 70 N 4.66 0.65 -3.61 0.00 1.57 -1.94 -3.46 116.57 114.43 5nuc h LYS 70 Ca -0.45 -0.81 -0.23 0.00 -1.87 0.00 0.00 60.65 57.29 5nuc h LYS 70 Cb 1.21 0.26 -0.29 0.00 0.08 0.00 0.00 32.23 33.49 5nuc h LYS 70 CO 0.70 1.36 -0.68 -1.59 -0.57 0.00 0.00 179.45 178.67 5nuc s LYS 71 N -3.08 0.03 -0.06 3.15 -2.85 -1.26 -5.05 119.74 110.63 5nuc s LYS 71 Ca -0.10 0.08 0.04 0.00 -1.00 0.00 0.00 55.97 55.00 5nuc s LYS 71 Cb 0.06 -0.03 -0.02 0.00 -2.06 0.00 0.00 37.83 35.78 5nuc s LYS 71 CO 0.93 -0.03 -0.19 0.42 0.10 0.00 0.00 175.35 176.58 5nuc s ILE 72 N 0.21 2.65 0.02 3.79 1.01 -1.26 -0.68 121.20 126.94 5nuc s ILE 72 Ca -0.02 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 59.81 5nuc s ILE 72 Cb -0.02 -2.02 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 5nuc s ILE 72 CO -0.01 0.57 -0.10 -1.61 0.00 0.00 0.00 174.94 173.79 5nuc s GLU 73 N -0.42 0.75 -0.02 2.79 2.02 -0.71 -1.93 118.70 121.18 5nuc s GLU 73 Ca 0.04 -0.56 0.04 0.00 0.02 0.00 0.00 54.97 54.52 5nuc s GLU 73 Cb -0.12 -0.70 -0.03 0.00 0.10 0.00 0.00 34.13 33.38 5nuc s GLU 73 CO 0.02 0.18 -0.13 0.14 0.02 0.00 0.00 175.26 175.49 5nuc s VAL 74 N -0.66 3.19 -0.19 2.63 -7.23 0.11 -0.81 120.40 117.44 5nuc s VAL 74 Ca 0.00 -0.83 -0.02 0.00 -1.81 0.00 0.00 61.98 59.32 5nuc s VAL 74 Cb -0.06 -2.31 0.06 0.00 0.56 0.00 0.00 36.38 34.62 5nuc s VAL 74 CO 0.00 0.48 0.01 -0.70 -0.31 0.00 0.00 175.10 174.59 5nuc s GLU 75 N -1.08 0.87 0.49 4.82 2.12 0.12 -0.99 118.70 125.05 5nuc s GLU 75 Ca 0.14 -0.48 -0.18 0.00 0.36 0.00 0.00 54.97 54.80 5nuc s GLU 75 Cb -0.11 -2.10 -0.08 0.00 0.26 0.00 0.00 34.13 32.10 5nuc s GLU 75 CO 0.03 -0.59 0.99 -0.06 -0.54 0.00 0.00 175.26 175.09 5nuc s PHE 76 N 1.77 3.30 0.04 5.30 0.08 -1.26 -0.76 117.98 126.46 5nuc s PHE 76 Ca -0.01 1.53 -0.00 0.00 0.12 0.00 0.00 56.93 58.57 5nuc s PHE 76 Cb -0.17 -2.87 0.01 0.00 -0.57 0.00 0.00 43.02 39.43 5nuc s PHE 76 CO -0.07 -0.42 0.06 -3.47 -0.10 0.00 0.00 175.22 171.21 5nuc n ASP 77 N -1.26 0.05 -0.04 1.36 -0.08 -1.26 -4.62 116.55 110.70 5nuc n ASP 77 Ca 0.07 -1.05 0.14 0.00 -1.51 0.00 0.00 54.79 52.45 5nuc n ASP 77 Cb 0.54 -0.04 0.60 0.00 2.34 0.00 0.00 41.12 44.56 5nuc n ASP 77 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 5nuc n LYS 78 N -1.11 0.34 0.00 -0.67 2.85 -1.26 -4.87 118.16 113.43 5nuc n LYS 78 Ca 0.01 -0.08 0.00 0.00 -1.05 0.00 0.00 58.31 57.19 5nuc n LYS 78 Cb 0.03 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.91 5nuc n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 5nuc n GLY 79 N 1.37 2.27 3.70 2.58 0.00 -1.26 -4.98 105.19 108.87 5nuc n GLY 79 Ca 0.11 -1.87 -0.38 0.00 0.00 0.00 0.00 46.02 43.88 5nuc n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5nuc n GLN 80 N 0.00 1.35 0.00 1.61 10.64 -1.26 -4.95 117.38 124.77 5nuc n GLN 80 Ca 0.00 0.51 0.10 0.00 -1.83 0.00 0.00 57.00 55.78 5nuc n GLN 80 Cb 0.00 -2.42 -0.04 0.00 -0.86 0.00 0.00 30.24 26.91 5nuc n GLN 80 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 5nuc n ARG 81 N -1.11 0.16 -4.14 2.61 1.74 -1.26 -4.83 116.66 109.83 5nuc n ARG 81 Ca 0.12 -0.13 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 5nuc n ARG 81 Cb 0.46 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.29 5nuc n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 5nuc s THR 82 N -2.93 0.69 0.54 0.55 -4.23 -1.26 -0.42 115.64 108.58 5nuc s THR 82 Ca 0.10 -1.67 0.05 0.00 -1.18 0.00 0.00 61.69 58.99 5nuc s THR 82 Cb 0.17 -1.36 0.10 0.00 1.34 0.00 0.00 72.50 72.74 5nuc s THR 82 CO 0.80 -0.70 0.74 -0.90 -0.54 0.00 0.00 174.62 174.03 5nuc n ASP 83 N 0.43 1.57 0.28 3.99 5.68 -0.22 -4.86 116.55 123.42 5nuc n ASP 83 Ca -0.15 -2.19 0.17 0.00 -0.50 0.00 0.00 54.79 52.12 5nuc n ASP 83 Cb 0.59 -0.43 0.95 0.00 -1.14 0.00 0.00 41.12 41.09 5nuc n ASP 83 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 5nuc h LYS 84 N 0.00 0.00 -0.08 0.11 2.10 -2.02 0.11 116.57 116.78 5nuc h LYS 84 Ca -0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 5nuc h LYS 84 Cb 1.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.39 5nuc h LYS 84 CO 0.32 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.43 5nuc n TYR 85 N -3.62 0.10 -1.02 0.07 4.01 -1.26 -4.91 117.16 110.53 5nuc n TYR 85 Ca -0.02 -0.05 -0.01 0.00 -0.16 0.00 0.00 57.90 57.67 5nuc n TYR 85 Cb 0.17 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.19 5nuc n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 5nuc n GLY 86 N 1.06 0.48 3.77 2.72 0.00 0.03 -5.03 105.19 108.21 5nuc n GLY 86 Ca 0.17 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 5nuc n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 5nuc s ARG 87 N -0.85 4.37 0.25 1.61 0.52 -1.26 -4.78 118.95 118.82 5nuc s ARG 87 Ca 0.00 0.86 -0.30 0.00 -0.52 0.00 0.00 55.73 55.78 5nuc s ARG 87 Cb 0.00 -3.32 -0.10 0.00 0.52 0.00 0.00 34.95 32.05 5nuc s ARG 87 CO 0.00 0.41 1.39 0.20 0.02 0.00 0.00 175.30 177.32 5nuc s GLY 88 N -0.38 2.44 -0.35 -3.53 0.00 -0.51 -1.05 107.32 103.93 5nuc s GLY 88 Ca 0.33 1.27 -0.11 0.00 0.00 0.00 0.00 44.72 46.22 5nuc s GLY 88 CO 0.20 2.19 0.19 1.08 0.00 0.00 0.00 173.10 176.76 5nuc s LEU 89 N -0.50 4.53 0.23 0.66 1.43 0.44 -0.91 118.68 124.56 5nuc s LEU 89 Ca 0.57 -0.84 -0.12 0.00 -1.03 0.00 0.00 54.13 52.71 5nuc s LEU 89 Cb -0.40 -2.02 -0.00 0.00 0.03 0.00 0.00 46.19 43.79 5nuc s LEU 89 CO 0.43 -0.32 0.44 0.00 0.23 0.00 0.00 176.35 177.13 5nuc s ALA 90 N 1.58 -0.20 -0.22 4.21 0.00 -1.17 -4.42 121.76 121.54 5nuc s ALA 90 Ca 0.03 -0.87 -0.12 0.00 0.00 0.00 0.00 51.96 50.99 5nuc s ALA 90 Cb -0.18 1.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.94 5nuc s ALA 90 CO 0.07 -0.82 0.24 0.71 0.00 0.00 0.00 175.76 175.96 5nuc s TYR 91 N -4.01 3.35 -0.13 0.00 2.02 0.06 -1.30 117.35 117.34 5nuc s TYR 91 Ca 0.22 0.38 -0.00 0.00 -0.37 0.00 0.00 57.07 57.29 5nuc s TYR 91 Cb 0.00 -2.35 -0.01 0.00 -0.40 0.00 0.00 41.96 39.20 5nuc s TYR 91 CO 0.07 0.06 -0.13 0.42 -1.57 0.00 0.00 175.55 174.40 5nuc s ILE 92 N 1.07 3.04 -0.09 2.71 1.01 -1.26 -0.71 121.20 126.97 5nuc s ILE 92 Ca 0.12 -0.67 -0.01 0.00 0.00 0.00 0.00 60.65 60.09 5nuc s ILE 92 Cb -0.14 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.03 5nuc s ILE 92 CO 0.05 0.52 -0.04 -0.31 0.00 0.00 0.00 174.94 175.17 5nuc s TYR 93 N 0.35 3.04 -0.30 3.97 1.51 0.01 -0.25 117.35 125.68 5nuc s TYR 93 Ca -0.11 0.04 0.02 0.00 -1.01 0.00 0.00 57.07 56.01 5nuc s TYR 93 Cb -0.16 -1.78 0.07 0.00 -0.11 0.00 0.00 41.96 39.98 5nuc s TYR 93 CO 0.06 0.32 -0.02 0.00 -1.11 0.00 0.00 175.55 174.80 5nuc s ALA 94 N -0.63 2.75 -1.28 3.71 0.00 0.16 -1.73 121.76 124.73 5nuc s ALA 94 Ca 0.10 -2.04 -0.03 0.00 0.00 0.00 0.00 51.96 49.99 5nuc s ALA 94 Cb -0.12 -1.82 -0.00 0.00 0.00 0.00 0.00 23.12 21.18 5nuc s ALA 94 CO 0.02 -1.39 0.69 -0.25 0.00 0.00 0.00 175.76 174.83 5nuc n ASP 95 N 4.42 -1.83 0.00 0.00 8.00 0.14 -1.40 116.55 125.89 5nuc n ASP 95 Ca -0.08 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.56 5nuc n ASP 95 Cb 0.42 -3.93 0.00 0.00 -0.02 0.00 0.00 41.12 37.59 5nuc n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 5nuc n GLY 96 N -1.61 0.60 3.36 0.44 0.00 -1.26 -4.99 105.19 101.72 5nuc n GLY 96 Ca -0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 5nuc n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 5nuc s LYS 97 N -0.38 3.39 -0.15 1.61 1.02 -0.49 -5.05 119.74 119.68 5nuc s LYS 97 Ca 0.00 -0.64 -0.29 0.00 0.02 0.00 0.00 55.97 55.06 5nuc s LYS 97 Cb 0.00 -3.20 -0.04 0.00 -0.52 0.00 0.00 37.83 34.07 5nuc s LYS 97 CO 0.00 -0.26 1.78 1.41 -0.92 0.00 0.00 175.35 177.36 5nuc s MET 98 N 1.53 3.80 0.18 1.68 1.75 -1.26 -0.67 119.30 126.30 5nuc s MET 98 Ca 0.05 1.96 -0.12 0.00 -1.25 0.00 0.00 55.69 56.33 5nuc s MET 98 Cb -0.15 -4.11 0.10 0.00 2.84 0.00 0.00 34.83 33.51 5nuc s MET 98 CO 0.00 -1.31 1.78 0.28 -0.65 0.00 0.00 175.02 175.12 5nuc h VAL 99 N 6.15 1.21 -0.57 10.11 2.07 -0.98 -1.67 116.25 132.56 5nuc h VAL 99 Ca -0.38 -0.56 0.10 0.00 0.82 0.00 0.00 66.70 66.67 5nuc h VAL 99 Cb 1.18 0.42 -0.08 0.00 -1.52 0.00 0.00 31.29 31.30 5nuc h VAL 99 CO 0.98 0.24 0.15 0.78 0.02 0.00 0.00 177.57 179.74 5nuc h ASN 100 N 0.87 0.08 -0.26 0.57 4.21 -1.91 -2.07 115.58 117.07 5nuc h ASN 100 Ca 0.22 0.09 -0.16 0.00 1.21 0.00 0.00 56.30 57.66 5nuc h ASN 100 Cb 0.08 0.11 -0.00 0.00 -1.12 0.00 0.00 38.32 37.39 5nuc h ASN 100 CO -0.03 0.06 -0.45 -0.08 -1.29 0.00 0.00 177.43 175.63 5nuc h GLU 101 N 0.30 0.82 -0.69 0.81 4.22 -1.86 -3.11 114.58 115.08 5nuc h GLU 101 Ca 0.29 -0.47 0.00 0.00 0.08 0.00 0.00 59.36 59.27 5nuc h GLU 101 Cb 0.40 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 5nuc h GLU 101 CO -0.35 1.10 0.45 0.00 -2.18 0.00 0.00 179.01 178.03 5nuc h ALA 102 N 0.82 1.50 -0.19 2.92 0.00 -0.65 -0.23 119.26 123.43 5nuc h ALA 102 Ca 0.04 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 5nuc h ALA 102 Cb 1.03 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 5nuc h ALA 102 CO 0.10 0.46 -0.17 -0.07 0.00 0.00 0.00 179.25 179.57 5nuc h LEU 103 N 0.94 0.48 -0.39 0.00 3.38 -1.40 -2.72 115.31 115.59 5nuc h LEU 103 Ca 0.25 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 5nuc h LEU 103 Cb -0.10 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 5nuc h LEU 103 CO -0.05 0.85 0.20 0.58 0.09 0.00 0.00 178.44 180.11 5nuc h VAL 104 N 0.13 1.16 -0.12 1.22 2.07 -1.42 -0.60 116.25 118.68 5nuc h VAL 104 Ca 0.03 -0.45 0.03 0.00 0.82 0.00 0.00 66.70 67.14 5nuc h VAL 104 Cb 0.71 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 5nuc h VAL 104 CO 0.04 0.17 0.09 -0.09 0.02 0.00 0.00 177.57 177.80 5nuc h ARG 105 N 0.50 0.00 -0.01 1.57 9.65 -1.02 -0.77 114.38 124.30 5nuc h ARG 105 Ca 0.14 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.02 5nuc h ARG 105 Cb 0.09 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.67 5nuc h ARG 105 CO -0.02 0.00 -0.07 1.04 2.80 0.00 0.00 179.97 183.72 5nuc n GLN 106 N -4.44 1.32 -2.50 0.20 1.13 -0.98 -4.47 117.38 107.65 5nuc n GLN 106 Ca -0.00 -0.71 -0.11 0.00 -1.94 0.00 0.00 57.00 54.24 5nuc n GLN 106 Cb 0.21 -1.49 0.01 0.00 0.11 0.00 0.00 30.24 29.08 5nuc n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 5nuc n GLY 107 N 1.21 0.03 0.44 1.08 0.00 -0.30 -4.31 105.19 103.34 5nuc n GLY 107 Ca 0.17 -0.36 0.05 0.00 0.00 0.00 0.00 46.02 45.88 5nuc n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 5nuc n LEU 108 N -1.96 2.04 -3.59 0.99 4.77 -0.27 -0.84 117.00 118.13 5nuc n LEU 108 Ca -0.08 -1.20 -0.14 0.00 -0.03 0.00 0.00 56.01 54.56 5nuc n LEU 108 Cb 0.57 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.56 5nuc n LEU 108 CO 0.21 0.43 0.26 0.00 -1.33 0.00 0.00 177.39 176.96 5nuc s ALA 109 N -0.87 -1.30 0.18 -1.18 0.00 -1.20 -4.29 121.76 113.09 5nuc s ALA 109 Ca 0.14 0.63 0.09 0.00 0.00 0.00 0.00 51.96 52.81 5nuc s ALA 109 Cb 0.09 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.48 5nuc s ALA 109 CO 0.13 -0.47 -0.10 0.15 0.00 0.00 0.00 175.76 175.47 5nuc s LYS 110 N -2.22 2.04 -0.05 0.00 1.02 -1.00 -4.40 119.74 115.13 5nuc s LYS 110 Ca -0.07 -1.26 -0.30 0.00 0.02 0.00 0.00 55.97 54.36 5nuc s LYS 110 Cb -0.01 -2.15 -0.03 0.00 -0.52 0.00 0.00 37.83 35.11 5nuc s LYS 110 CO 0.00 0.44 1.20 0.08 -0.92 0.00 0.00 175.35 176.15 5nuc s VAL 111 N -1.67 4.25 0.24 3.17 1.01 -1.26 -1.70 120.40 124.44 5nuc s VAL 111 Ca 0.24 1.58 -0.12 0.00 0.00 0.00 0.00 61.98 63.68 5nuc s VAL 111 Cb -0.09 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 5nuc s VAL 111 CO 0.15 0.01 0.45 0.00 0.00 0.00 0.00 175.10 175.71 5nuc s ALA 112 N 2.12 -0.13 -1.27 5.51 0.00 -0.22 -4.90 121.76 122.87 5nuc s ALA 112 Ca 0.56 -0.95 -0.02 0.00 0.00 0.00 0.00 51.96 51.55 5nuc s ALA 112 Cb -0.25 1.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.96 5nuc s ALA 112 CO 0.23 -0.84 0.73 0.66 0.00 0.00 0.00 175.76 176.54 5nuc n TYR 113 N -0.37 -1.95 -2.70 0.00 4.01 -1.26 -3.28 117.16 111.60 5nuc n TYR 113 Ca -0.01 0.81 -0.42 0.00 -0.16 0.00 0.00 57.90 58.12 5nuc n TYR 113 Cb 0.62 -4.33 -0.03 0.00 -0.31 0.00 0.00 39.34 35.29 5nuc n TYR 113 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 5nuc s VAL 114 N -3.63 4.12 -0.28 -0.72 1.01 -1.26 -4.52 120.40 115.12 5nuc s VAL 114 Ca 0.06 -0.49 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 5nuc s VAL 114 Cb -0.02 -4.87 0.02 0.00 0.00 0.00 0.00 36.38 31.51 5nuc s VAL 114 CO 0.81 -1.71 0.02 -0.31 0.00 0.00 0.00 175.10 173.91 5nuc s TYR 115 N 4.52 3.14 0.43 5.22 2.02 -1.26 -5.05 117.35 126.35 5nuc s TYR 115 Ca 0.34 -1.31 -0.26 0.00 -0.37 0.00 0.00 57.07 55.48 5nuc s TYR 115 Cb -0.07 -2.17 -0.09 0.00 -0.40 0.00 0.00 41.96 39.22 5nuc s TYR 115 CO 0.02 -0.67 1.33 1.63 -1.57 0.00 0.00 175.55 176.29 5nuc n LYS 116 N 4.76 2.06 -0.77 -0.62 4.76 -1.26 -0.58 118.16 126.51 5nuc n LYS 116 Ca -0.15 0.73 0.04 0.00 -2.87 0.00 0.00 58.31 56.06 5nuc n LYS 116 Cb 0.47 -2.47 0.32 0.00 -1.84 0.00 0.00 35.03 31.51 5nuc n LYS 116 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 5nuc n PRO 117 N -0.01 4.06 -1.90 1.97 -0.04 -1.26 -4.99 135.00 132.84 5nuc n PRO 117 Ca 0.06 -2.61 -0.39 0.00 -0.04 0.00 0.00 63.50 60.52 5nuc n PRO 117 Cb 0.40 -2.13 -0.01 0.00 -0.04 0.00 0.00 33.50 31.72 5nuc n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 5nuc n ASN 118 N 0.40 7.95 -1.35 3.54 3.02 0.26 -4.35 115.26 124.73 5nuc n ASN 118 Ca 0.25 -3.11 0.03 0.00 -0.03 0.00 0.00 54.58 51.73 5nuc n ASN 118 Cb 1.08 -1.36 0.02 0.00 -0.61 0.00 0.00 39.78 38.90 5nuc n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 5nuc n ASN 119 N 1.77 0.86 -0.24 6.41 6.94 -1.26 -4.47 115.26 125.27 5nuc n ASN 119 Ca 0.62 -2.01 0.02 0.00 -0.02 0.00 0.00 54.58 53.20 5nuc n ASN 119 Cb 0.28 -0.29 0.15 0.00 -2.36 0.00 0.00 39.78 37.56 5nuc n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 5nuc h THR 120 N 6.96 0.77 -0.65 5.53 2.02 -1.97 -1.91 112.91 123.66 5nuc h THR 120 Ca -0.19 -0.17 -0.18 0.00 0.77 0.00 0.00 66.41 66.63 5nuc h THR 120 Cb 1.82 0.22 -0.11 0.00 -1.74 0.00 0.00 68.15 68.34 5nuc h THR 120 CO 0.08 0.09 0.23 1.41 0.37 0.00 0.00 175.52 177.70 5nuc n HIS 121 N -4.94 2.18 -0.21 3.16 8.25 -1.26 -4.61 115.22 117.80 5nuc n HIS 121 Ca 0.12 -1.05 -0.06 0.00 -0.26 0.00 0.00 57.72 56.46 5nuc n HIS 121 Cb 0.32 -0.62 0.03 0.00 1.12 0.00 0.00 29.99 30.84 5nuc n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 5nuc h GLU 122 N 2.48 0.79 -0.49 -0.41 4.81 -1.73 -2.27 114.58 117.77 5nuc h GLU 122 Ca 0.22 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.25 5nuc h GLU 122 Cb 2.14 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 31.34 5nuc h GLU 122 CO 0.65 0.56 -0.21 1.96 -0.73 0.00 0.00 179.01 181.24 5nuc h GLN 123 N 0.80 1.00 -0.09 1.92 1.08 -1.82 -0.06 115.11 117.93 5nuc h GLN 123 Ca 0.21 -0.42 0.03 0.00 -1.45 0.00 0.00 58.65 57.02 5nuc h GLN 123 Cb -0.04 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.32 5nuc h GLN 123 CO -0.04 1.10 -0.11 1.25 -0.95 0.00 0.00 178.83 180.08 5nuc h HIS 124 N 0.86 -0.27 -0.46 2.96 -0.00 -1.86 0.28 115.15 116.65 5nuc h HIS 124 Ca 0.11 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.43 5nuc h HIS 124 Cb 0.79 0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 28.31 5nuc h HIS 124 CO 0.05 -0.17 0.00 -0.07 -0.00 0.00 0.00 177.93 177.75 5nuc h LEU 125 N -0.15 0.73 -0.44 0.26 3.38 -1.28 -2.49 115.31 115.31 5nuc h LEU 125 Ca 0.07 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.88 5nuc h LEU 125 Cb 0.25 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 5nuc h LEU 125 CO -0.17 0.79 0.29 0.03 0.09 0.00 0.00 178.44 179.47 5nuc h ARG 126 N 0.71 0.57 -0.24 1.13 2.47 -0.31 -0.75 114.38 117.97 5nuc h ARG 126 Ca 0.14 -0.03 -0.07 0.00 -1.26 0.00 0.00 59.98 58.76 5nuc h ARG 126 Cb 0.43 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.61 5nuc h ARG 126 CO 0.02 0.38 -0.16 1.57 0.56 0.00 0.00 179.97 182.34 5nuc h LYS 127 N 0.59 0.41 0.00 0.04 2.10 -0.63 -1.25 116.57 117.83 5nuc h LYS 127 Ca 0.16 -0.12 -0.19 0.00 -2.00 0.00 0.00 60.65 58.51 5nuc h LYS 127 Cb -0.06 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 31.21 5nuc h LYS 127 CO -0.04 0.56 -0.85 0.77 -2.00 0.00 0.00 179.45 177.89 5nuc h SER 128 N 0.37 0.15 -0.46 7.07 0.02 -1.14 -2.70 113.55 116.87 5nuc h SER 128 Ca 0.07 -0.12 -0.13 0.00 -0.84 0.00 0.00 61.79 60.76 5nuc h SER 128 Cb 0.50 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 5nuc h SER 128 CO 0.03 0.93 -0.23 -0.08 -1.14 0.00 0.00 176.83 176.34 5nuc h GLU 129 N 0.06 0.98 -0.71 3.45 4.81 -0.85 -1.82 114.58 120.51 5nuc h GLU 129 Ca -0.03 -0.42 0.02 0.00 -0.13 0.00 0.00 59.36 58.79 5nuc h GLU 129 Cb 1.48 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.79 5nuc h GLU 129 CO 0.12 1.10 0.46 0.00 -0.73 0.00 0.00 179.01 179.96 5nuc h ALA 130 N 0.88 0.91 -0.47 2.92 0.00 -1.19 0.23 119.26 122.55 5nuc h ALA 130 Ca 0.11 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 5nuc h ALA 130 Cb 0.81 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 5nuc h ALA 130 CO 0.07 0.28 0.06 0.37 0.00 0.00 0.00 179.25 180.04 5nuc h GLN 131 N 0.93 0.78 -0.51 0.00 5.75 -1.31 -0.82 115.11 119.92 5nuc h GLN 131 Ca 0.27 -0.22 -0.04 0.00 -0.15 0.00 0.00 58.65 58.51 5nuc h GLN 131 Cb -0.06 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.38 5nuc h GLN 131 CO -0.08 0.80 0.16 0.00 -2.65 0.00 0.00 178.83 177.07 5nuc h ALA 132 N 0.95 1.32 0.16 3.38 0.00 -0.94 -1.40 119.26 122.73 5nuc h ALA 132 Ca 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 5nuc h ALA 132 Cb 0.41 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.99 5nuc h ALA 132 CO 0.01 0.49 -0.08 -0.22 0.00 0.00 0.00 179.25 179.46 5nuc h LYS 133 N 0.74 -0.21 -0.12 0.00 3.64 -0.59 -1.32 116.57 118.71 5nuc h LYS 133 Ca 0.17 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 5nuc h LYS 133 Cb 0.22 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 5nuc h LYS 133 CO -0.01 0.05 0.07 1.57 -2.27 0.00 0.00 179.45 178.86 5nuc h LYS 134 N -0.46 0.16 -0.05 1.90 2.10 -0.90 0.88 116.57 120.19 5nuc h LYS 134 Ca -0.02 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 5nuc h LYS 134 Cb 0.36 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 5nuc h LYS 134 CO 0.04 0.12 0.00 0.39 -2.00 0.00 0.00 179.45 177.99 5nuc n GLU 135 N -4.51 1.39 -3.78 0.07 1.02 -0.55 -4.92 120.64 109.37 5nuc n GLU 135 Ca -0.01 -0.58 -0.24 0.00 -0.02 0.00 0.00 57.16 56.30 5nuc n GLU 135 Cb 0.09 -1.41 0.03 0.00 -0.02 0.00 0.00 31.44 30.13 5nuc n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 5nuc n LYS 136 N -0.24 -5.11 -3.03 3.49 4.76 0.30 -4.95 118.16 113.38 5nuc n LYS 136 Ca 0.18 0.61 -0.40 0.00 -2.87 0.00 0.00 58.31 55.83 5nuc n LYS 136 Cb 0.23 -5.27 -0.05 0.00 -1.84 0.00 0.00 35.03 28.11 5nuc n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 5nuc s LEU 137 N -6.89 4.34 0.00 -0.35 1.43 -0.54 -3.38 118.68 113.28 5nuc s LEU 137 Ca 0.22 1.23 0.00 0.00 -1.03 0.00 0.00 54.13 54.55 5nuc s LEU 137 Cb -0.11 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 43.00 5nuc s LEU 137 CO 0.82 -0.10 0.00 0.59 0.23 0.00 0.00 176.35 177.89 5nuc n ASN 138 N 3.65 0.00 -0.15 2.29 3.02 -1.26 -0.36 115.26 122.45 5nuc n ASN 138 Ca -0.01 0.00 0.24 0.00 -0.03 0.00 0.00 54.58 54.78 5nuc n ASN 138 Cb 0.51 0.00 0.66 0.00 -0.61 0.00 0.00 39.78 40.34 5nuc n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 5nuc h ILE 139 N 0.00 0.63 -0.61 2.41 5.03 -1.29 0.13 117.51 123.81 5nuc h ILE 139 Ca 0.00 -0.04 0.00 0.00 -0.12 0.00 0.00 64.86 64.70 5nuc h ILE 139 Cb 0.00 0.51 0.00 0.00 -3.03 0.00 0.00 36.82 34.30 5nuc h ILE 139 CO 0.00 0.02 0.00 0.79 -0.68 0.00 0.00 178.15 178.28 5nuc n TRP 140 N -4.36 0.81 1.31 1.37 7.02 0.51 -5.13 117.44 118.98 5nuc n TRP 140 Ca 0.17 -0.41 0.11 0.00 -1.02 0.00 0.00 57.50 56.34 5nuc n TRP 140 Cb 0.80 0.00 0.62 0.00 -2.42 0.00 0.00 31.31 30.32 5nuc n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54