#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nuc s HIS 8 N 0.00 1.78 0.21 -1.77 5.65 -1.26 -5.11 115.29 114.79 2nuc s HIS 8 Ca 0.00 -0.60 -0.18 0.00 0.25 0.00 0.00 55.06 54.53 2nuc s HIS 8 Cb 0.00 -1.23 -0.08 0.00 -1.18 0.00 0.00 32.58 30.09 2nuc s HIS 8 CO 0.00 -0.25 0.68 0.15 -0.65 0.00 0.00 174.74 174.68 2nuc s LYS 9 N 0.29 4.16 0.01 2.88 1.02 -1.26 -4.35 119.74 122.49 2nuc s LYS 9 Ca -0.10 0.76 0.02 0.00 0.02 0.00 0.00 55.97 56.67 2nuc s LYS 9 Cb -0.14 -2.85 -0.01 0.00 -0.52 0.00 0.00 37.83 34.31 2nuc s LYS 9 CO 0.04 0.39 -0.07 -1.21 -0.92 0.00 0.00 175.35 173.58 2nuc s GLU 10 N -2.06 0.53 0.54 1.68 2.02 0.13 -4.93 118.70 116.60 2nuc s GLU 10 Ca 0.43 -0.38 -0.20 0.00 0.02 0.00 0.00 54.97 54.84 2nuc s GLU 10 Cb -0.16 -0.46 -0.05 0.00 0.10 0.00 0.00 34.13 33.56 2nuc s GLU 10 CO 0.20 0.12 1.20 -2.14 0.02 0.00 0.00 175.26 174.66 2nuc s PRO 11 N -0.54 3.26 0.13 0.39 0.02 -1.26 -0.01 135.00 136.98 2nuc s PRO 11 Ca -0.01 1.83 -0.11 0.00 0.02 0.00 0.00 61.00 62.74 2nuc s PRO 11 Cb -0.04 -2.11 0.00 0.00 0.02 0.00 0.00 34.50 32.37 2nuc s PRO 11 CO 0.00 -0.98 0.28 0.00 -0.33 0.00 0.00 177.00 175.97 2nuc s ALA 12 N -1.57 -0.32 -0.11 -1.55 0.00 -0.86 -4.71 121.76 112.64 2nuc s ALA 12 Ca 0.72 -0.58 0.02 0.00 0.00 0.00 0.00 51.96 52.13 2nuc s ALA 12 Cb -0.30 0.66 0.01 0.00 0.00 0.00 0.00 23.12 23.49 2nuc s ALA 12 CO 0.34 -0.59 -0.17 0.99 0.00 0.00 0.00 175.76 176.32 2nuc s THR 13 N -3.89 1.63 0.16 0.00 2.01 -0.92 -4.23 115.64 110.41 2nuc s THR 13 Ca 0.09 -0.74 -0.31 0.00 0.31 0.00 0.00 61.69 61.04 2nuc s THR 13 Cb 0.03 -1.46 -0.10 0.00 0.01 0.00 0.00 72.50 70.98 2nuc s THR 13 CO -0.07 0.47 1.68 -0.22 -0.69 0.00 0.00 174.62 175.79 2nuc s LEU 14 N 0.81 4.38 -0.17 4.42 1.98 -1.26 -0.69 118.68 128.15 2nuc s LEU 14 Ca -0.10 2.71 -0.14 0.00 -2.89 0.00 0.00 54.13 53.72 2nuc s LEU 14 Cb -0.16 -3.59 -0.07 0.00 0.66 0.00 0.00 46.19 43.04 2nuc s LEU 14 CO 0.01 -0.92 -0.29 -0.38 -1.89 0.00 0.00 176.35 172.88 2nuc n ILE 15 N 4.23 1.39 -3.68 6.68 5.41 0.11 -4.85 119.36 128.66 2nuc n ILE 15 Ca 0.16 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.81 2nuc n ILE 15 Cb 0.38 -2.08 -0.09 0.00 -0.71 0.00 0.00 39.64 37.14 2nuc n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2nuc s LYS 16 N -2.64 0.56 0.03 0.38 2.20 -0.84 -4.99 119.74 114.44 2nuc s LYS 16 Ca -0.27 0.91 -0.22 0.00 -0.36 0.00 0.00 55.97 56.02 2nuc s LYS 16 Cb 0.07 0.12 -0.06 0.00 -1.51 0.00 0.00 37.83 36.45 2nuc s LYS 16 CO 0.37 -0.13 0.67 0.00 -0.36 0.00 0.00 175.35 175.90 2nuc s ALA 17 N 1.14 3.44 -0.09 3.13 0.00 -1.26 0.00 121.76 128.13 2nuc s ALA 17 Ca -0.07 0.15 -0.10 0.00 0.00 0.00 0.00 51.96 51.94 2nuc s ALA 17 Cb -0.06 -2.85 -0.03 0.00 0.00 0.00 0.00 23.12 20.18 2nuc s ALA 17 CO -0.11 0.15 -0.20 -0.89 0.00 0.00 0.00 175.76 174.71 2nuc n ILE 18 N 2.63 1.03 -3.17 0.00 5.41 -0.80 -4.94 119.36 119.53 2nuc n ILE 18 Ca -0.05 0.25 0.00 0.00 1.00 0.00 0.00 62.75 63.95 2nuc n ILE 18 Cb 0.51 -1.97 0.00 0.00 -0.71 0.00 0.00 39.64 37.46 2nuc n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2nuc n ASP 19 N -3.76 0.00 -0.17 4.38 5.75 -0.79 -5.00 116.55 116.96 2nuc n ASP 19 Ca -0.08 -0.45 0.09 0.00 -0.01 0.00 0.00 54.79 54.35 2nuc n ASP 19 Cb 0.30 0.00 0.41 0.00 -1.03 0.00 0.00 41.12 40.79 2nuc n ASP 19 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2nuc h GLY 20 N 0.00 0.88 0.00 6.12 0.00 -1.82 -3.26 103.07 104.99 2nuc h GLY 20 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2nuc h GLY 20 CO 0.00 0.16 0.00 2.09 0.00 0.00 0.00 176.54 178.79 2nuc n ASP 21 N -4.49 1.37 -4.22 0.19 5.68 -1.26 -4.77 116.55 109.05 2nuc n ASP 21 Ca 0.12 -1.45 -0.16 0.00 -0.50 0.00 0.00 54.79 52.80 2nuc n ASP 21 Cb 0.33 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.20 2nuc n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2nuc s THR 22 N -0.45 1.14 -0.07 2.12 2.01 -1.23 -1.03 115.64 118.14 2nuc s THR 22 Ca 0.00 -1.75 0.02 0.00 0.31 0.00 0.00 61.69 60.27 2nuc s THR 22 Cb 0.00 -1.52 0.01 0.00 0.01 0.00 0.00 72.50 71.00 2nuc s THR 22 CO 0.00 -0.54 -0.11 -0.54 -0.69 0.00 0.00 174.62 172.74 2nuc s LYS 24 N -2.93 1.64 0.10 4.92 1.02 0.10 -1.88 119.74 122.71 2nuc s LYS 24 Ca 0.09 -0.39 0.04 0.00 0.02 0.00 0.00 55.97 55.74 2nuc s LYS 24 Cb -0.03 -1.38 -0.03 0.00 -0.52 0.00 0.00 37.83 35.87 2nuc s LYS 24 CO 0.01 0.00 -0.12 -0.51 -0.92 0.00 0.00 175.35 173.82 2nuc s LEU 25 N 0.74 2.38 -0.40 3.17 1.43 0.10 -0.71 118.68 125.38 2nuc s LEU 25 Ca -0.13 -0.78 -0.20 0.00 -1.03 0.00 0.00 54.13 51.99 2nuc s LEU 25 Cb -0.16 -0.40 0.01 0.00 0.03 0.00 0.00 46.19 45.68 2nuc s LEU 25 CO 0.03 -0.20 0.60 -0.32 0.23 0.00 0.00 176.35 176.69 2nuc s MET 26 N -2.57 3.41 -0.13 1.70 -2.45 0.13 0.21 119.30 119.60 2nuc s MET 26 Ca 0.05 -0.27 0.01 0.00 -1.25 0.00 0.00 55.69 54.23 2nuc s MET 26 Cb -0.05 -3.90 0.02 0.00 1.25 0.00 0.00 34.83 32.15 2nuc s MET 26 CO 0.01 -0.87 -0.17 -0.47 1.05 0.00 0.00 175.02 174.57 2nuc s TYR 27 N 2.66 2.25 -1.49 4.11 5.04 0.58 -2.15 117.35 128.34 2nuc s TYR 27 Ca 0.21 -1.17 -0.12 0.00 -2.44 0.00 0.00 57.07 53.55 2nuc s TYR 27 Cb -0.15 -1.60 0.07 0.00 0.35 0.00 0.00 41.96 40.63 2nuc s TYR 27 CO 0.17 -0.60 0.94 1.63 -1.34 0.00 0.00 175.55 176.35 2nuc n LYS 28 N 4.41 -5.62 0.00 4.97 4.76 -1.26 -1.19 118.16 124.22 2nuc n LYS 28 Ca -0.19 0.64 0.00 0.00 -2.87 0.00 0.00 58.31 55.90 2nuc n LYS 28 Cb 0.51 -5.54 0.00 0.00 -1.84 0.00 0.00 35.03 28.16 2nuc n LYS 28 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2nuc n GLY 29 N -1.68 2.73 3.44 0.72 0.00 -1.26 -5.02 105.19 104.12 2nuc n GLY 29 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 2nuc n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2nuc s GLN 30 N -0.39 2.83 0.42 1.61 1.03 -0.33 -5.07 119.66 119.75 2nuc s GLN 30 Ca 0.00 -0.69 -0.25 0.00 0.04 0.00 0.00 55.36 54.46 2nuc s GLN 30 Cb 0.00 -2.48 -0.08 0.00 0.03 0.00 0.00 33.01 30.48 2nuc s GLN 30 CO 0.00 0.48 1.26 -1.25 -2.54 0.00 0.00 175.29 173.24 2nuc s PRO 31 N -0.35 3.93 -0.03 9.60 0.04 -1.26 -0.31 135.00 146.62 2nuc s PRO 31 Ca 0.04 2.04 -0.28 0.00 0.04 0.00 0.00 61.00 62.83 2nuc s PRO 31 Cb -0.12 -2.68 0.06 0.00 0.04 0.00 0.00 34.50 31.80 2nuc s PRO 31 CO 0.02 -0.49 0.63 1.41 0.04 0.00 0.00 177.00 178.61 2nuc s MET 32 N -2.33 1.02 -0.09 4.56 1.75 0.13 -4.88 119.30 119.46 2nuc s MET 32 Ca 0.58 0.16 -0.11 0.00 -1.25 0.00 0.00 55.69 55.07 2nuc s MET 32 Cb -0.35 0.48 -0.05 0.00 2.84 0.00 0.00 34.83 37.75 2nuc s MET 32 CO 0.45 -0.32 0.26 0.95 -0.65 0.00 0.00 175.02 175.71 2nuc s THR 33 N -1.36 5.30 0.10 10.11 -4.23 -1.26 0.00 115.64 124.30 2nuc s THR 33 Ca -0.11 0.49 0.08 0.00 -1.18 0.00 0.00 61.69 60.98 2nuc s THR 33 Cb -0.01 -3.56 -0.04 0.00 1.34 0.00 0.00 72.50 70.24 2nuc s THR 33 CO 0.08 0.55 -0.16 -0.36 -0.54 0.00 0.00 174.62 174.19 2nuc s PHE 34 N -0.69 2.60 -0.06 3.99 0.40 -1.26 -0.62 117.98 122.33 2nuc s PHE 34 Ca 0.18 -0.23 0.02 0.00 -0.60 0.00 0.00 56.93 56.30 2nuc s PHE 34 Cb -0.14 -1.39 0.01 0.00 0.51 0.00 0.00 43.02 42.02 2nuc s PHE 34 CO 0.07 0.38 -0.12 0.50 0.70 0.00 0.00 175.22 176.75 2nuc s ARG 35 N -2.07 1.71 0.18 0.44 6.06 0.43 -4.22 118.95 121.47 2nuc s ARG 35 Ca 0.18 -0.42 -0.31 0.00 -2.50 0.00 0.00 55.73 52.68 2nuc s ARG 35 Cb -0.11 -1.41 -0.10 0.00 0.06 0.00 0.00 34.95 33.40 2nuc s ARG 35 CO 0.10 0.04 1.50 -0.51 -2.50 0.00 0.00 175.30 173.93 2nuc s LEU 36 N 0.63 4.37 0.45 -0.88 1.43 -0.20 -2.99 118.68 121.49 2nuc s LEU 36 Ca -0.14 2.57 -0.23 0.00 -1.03 0.00 0.00 54.13 55.30 2nuc s LEU 36 Cb -0.16 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.39 2nuc s LEU 36 CO 0.04 -0.75 1.15 -0.76 0.23 0.00 0.00 176.35 176.25 2nuc s LEU 37 N 0.71 4.05 -1.03 1.79 1.43 -0.37 -4.03 118.68 121.22 2nuc s LEU 37 Ca 0.66 2.28 0.00 0.00 -1.03 0.00 0.00 54.13 56.04 2nuc s LEU 37 Cb -0.42 -4.21 0.00 0.00 0.03 0.00 0.00 46.19 41.59 2nuc s LEU 37 CO 0.34 -0.84 0.00 0.18 0.23 0.00 0.00 176.35 176.26 2nuc n LEU 38 N -0.38 -0.28 -4.16 1.79 4.77 -1.26 -4.94 117.00 112.54 2nuc n LEU 38 Ca 0.07 0.24 -0.10 0.00 -0.03 0.00 0.00 56.01 56.19 2nuc n LEU 38 Cb 0.48 -2.46 -0.10 0.00 -2.33 0.00 0.00 43.42 39.01 2nuc n LEU 38 CO 0.48 -0.94 -0.32 0.68 -1.33 0.00 0.00 177.39 175.95 2nuc s VAL 39 N -1.77 0.30 -0.15 4.08 -7.23 -1.23 -1.63 120.40 112.77 2nuc s VAL 39 Ca 0.00 -1.90 -0.04 0.00 -1.81 0.00 0.00 61.98 58.23 2nuc s VAL 39 Cb 0.00 -1.91 0.07 0.00 0.56 0.00 0.00 36.38 35.10 2nuc s VAL 39 CO 0.00 -0.62 0.20 -0.62 -0.31 0.00 0.00 175.10 173.74 2nuc s ASP 40 N -3.05 1.05 0.29 4.85 2.15 -0.33 -4.69 116.67 116.95 2nuc s ASP 40 Ca 0.19 0.08 -0.04 0.00 0.43 0.00 0.00 52.55 53.22 2nuc s ASP 40 Cb 0.07 0.35 -0.05 0.00 -0.30 0.00 0.00 42.92 42.99 2nuc s ASP 40 CO -0.01 -0.28 0.54 0.42 -0.17 0.00 0.00 175.17 175.66 2nuc s THR 41 N 2.32 5.05 0.50 1.71 -4.23 -1.26 -1.91 115.64 117.82 2nuc s THR 41 Ca 0.04 -0.03 -0.23 0.00 -1.18 0.00 0.00 61.69 60.29 2nuc s THR 41 Cb -0.14 -3.75 -0.06 0.00 1.34 0.00 0.00 72.50 69.89 2nuc s THR 41 CO -0.09 -0.33 1.37 -2.84 -0.54 0.00 0.00 174.62 172.19 2nuc s PRO 42 N -3.61 3.40 0.39 3.99 0.02 -1.26 -4.90 135.00 133.03 2nuc s PRO 42 Ca 0.43 2.28 -0.26 0.00 0.02 0.00 0.00 61.00 63.47 2nuc s PRO 42 Cb -0.11 -2.43 -0.09 0.00 0.02 0.00 0.00 34.50 31.90 2nuc s PRO 42 CO 0.31 -1.00 1.23 -2.00 -0.33 0.00 0.00 177.00 175.20 2nuc s GLU 43 N -2.70 4.09 0.00 5.54 2.56 -1.26 -4.51 118.70 122.41 2nuc s GLU 43 Ca 0.67 2.00 0.00 0.00 0.00 0.00 0.00 54.97 57.64 2nuc s GLU 43 Cb -0.41 -2.78 0.00 0.00 2.00 0.00 0.00 34.13 32.94 2nuc s GLU 43 CO 0.50 -0.34 0.00 0.25 -0.56 0.00 0.00 175.26 175.12 2nuc n THR 44 N 0.24 0.00 0.00 -1.70 -2.24 -1.26 -0.41 114.28 108.92 2nuc n THR 44 Ca 0.03 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2nuc n THR 44 Cb 0.45 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 2nuc n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2nuc n LYS 45 N -0.66 0.00 0.00 -0.78 4.01 -1.26 -4.59 118.16 114.88 2nuc n LYS 45 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2nuc n LYS 45 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 2nuc n LYS 45 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 2nuc n HIS 46 N 0.00 0.00 -0.30 2.13 -0.00 -1.26 -4.18 115.22 111.61 2nuc n HIS 46 Ca 0.00 0.00 0.35 0.00 0.46 0.00 0.00 57.72 58.53 2nuc n HIS 46 Cb 0.00 0.00 0.71 0.00 -0.12 0.00 0.00 29.99 30.58 2nuc n HIS 46 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2nuc h PRO 47 N 0.00 0.00 -0.30 1.57 0.11 -1.95 0.24 132.00 131.67 2nuc h PRO 47 Ca 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 2nuc h PRO 47 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 2nuc h PRO 47 CO 0.00 0.00 -0.16 -0.22 -0.21 0.00 0.00 178.00 177.41 2nuc h LYS 48 N 0.00 0.53 0.05 1.05 3.64 -2.04 -3.11 116.57 116.69 2nuc h LYS 48 Ca 0.55 -0.17 -0.33 0.00 -1.27 0.00 0.00 60.65 59.43 2nuc h LYS 48 Cb 2.45 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 34.18 2nuc h LYS 48 CO -0.01 0.68 -1.93 1.63 -2.27 0.00 0.00 179.45 177.56 2nuc n LYS 49 N -4.17 0.69 -0.23 1.90 4.76 0.69 -5.09 118.16 116.71 2nuc n LYS 49 Ca 0.00 0.25 0.03 0.00 -2.87 0.00 0.00 58.31 55.73 2nuc n LYS 49 Cb 0.36 -1.72 -0.01 0.00 -1.84 0.00 0.00 35.03 31.81 2nuc n LYS 49 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2nuc n GLY 50 N 1.79 -1.51 3.55 0.72 0.00 -0.37 -4.51 105.19 104.86 2nuc n GLY 50 Ca -0.26 -1.47 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 2nuc n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nuc s VAL 51 N -1.40 3.75 0.65 1.61 1.01 -1.26 -4.12 120.40 120.64 2nuc s VAL 51 Ca 0.00 0.05 -0.13 0.00 0.00 0.00 0.00 61.98 61.90 2nuc s VAL 51 Cb 0.00 -4.90 -0.01 0.00 0.00 0.00 0.00 36.38 31.47 2nuc s VAL 51 CO 0.00 -1.82 1.06 -1.61 0.00 0.00 0.00 175.10 172.73 2nuc s GLU 52 N 5.61 3.12 0.29 2.72 2.02 0.46 -4.98 118.70 127.94 2nuc s GLU 52 Ca 0.40 1.07 -0.29 0.00 0.02 0.00 0.00 54.97 56.17 2nuc s GLU 52 Cb -0.06 -2.01 -0.11 0.00 0.10 0.00 0.00 34.13 32.05 2nuc s GLU 52 CO 0.08 -0.96 1.46 0.21 0.02 0.00 0.00 175.26 176.07 2nuc s LYS 53 N -4.58 4.22 0.00 1.61 2.47 -1.26 -1.67 119.74 120.53 2nuc s LYS 53 Ca 0.61 2.40 0.00 0.00 -1.56 0.00 0.00 55.97 57.42 2nuc s LYS 53 Cb -0.15 -3.06 0.00 0.00 -1.46 0.00 0.00 37.83 33.16 2nuc s LYS 53 CO 0.46 -0.45 0.00 0.66 0.16 0.00 0.00 175.35 176.18 2nuc n TYR 54 N 1.73 0.00 0.20 4.03 4.01 -1.26 -4.78 117.16 121.09 2nuc n TYR 54 Ca 0.05 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.64 2nuc n TYR 54 Cb 0.40 -0.29 -0.08 0.00 -0.31 0.00 0.00 39.34 39.06 2nuc n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2nuc h GLY 55 N 0.00 -0.47 1.88 2.72 0.00 -1.55 0.54 103.07 106.19 2nuc h GLY 55 Ca 0.00 0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.47 2nuc h GLY 55 CO 0.00 -0.17 -0.10 -2.55 0.00 0.00 0.00 176.54 173.72 2nuc h PRO 56 N -0.53 0.15 0.08 4.80 0.11 -1.87 -1.59 132.00 133.15 2nuc h PRO 56 Ca -0.05 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 2nuc h PRO 56 Cb 0.40 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.48 2nuc h PRO 56 CO 0.08 0.26 -0.04 0.93 -0.21 0.00 0.00 178.00 179.02 2nuc h GLU 57 N 0.15 -0.11 -0.90 1.05 3.07 -1.86 -2.12 114.58 113.86 2nuc h GLU 57 Ca 0.03 0.01 0.03 0.00 -0.50 0.00 0.00 59.36 58.93 2nuc h GLU 57 Cb 0.27 0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.16 2nuc h GLU 57 CO 0.02 0.23 0.58 0.00 -1.40 0.00 0.00 179.01 178.45 2nuc h ALA 58 N 0.40 1.17 -0.39 3.43 0.00 -0.66 -0.95 119.26 122.25 2nuc h ALA 58 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2nuc h ALA 58 Cb 0.40 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2nuc h ALA 58 CO 0.02 0.46 0.26 0.77 0.00 0.00 0.00 179.25 180.76 2nuc h SER 59 N 1.15 0.45 -0.67 0.00 0.02 -1.23 -1.83 113.55 111.44 2nuc h SER 59 Ca 0.35 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.23 2nuc h SER 59 Cb -0.03 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 2nuc h SER 59 CO -0.11 0.33 0.21 0.00 -1.14 0.00 0.00 176.83 176.13 2nuc h ALA 60 N 1.14 0.88 0.53 3.77 0.00 -0.73 -0.42 119.26 124.43 2nuc h ALA 60 Ca 0.14 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2nuc h ALA 60 Cb -0.06 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.48 2nuc h ALA 60 CO -0.03 0.56 -0.25 0.35 0.00 0.00 0.00 179.25 179.87 2nuc h PHE 61 N 0.98 -0.65 -0.26 0.00 3.57 -0.99 -0.77 116.94 118.82 2nuc h PHE 61 Ca 0.22 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.74 2nuc h PHE 61 Cb 0.30 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.22 2nuc h PHE 61 CO 0.02 -0.40 0.04 1.15 -2.23 0.00 0.00 178.31 176.89 2nuc h THR 62 N -0.73 0.86 -0.05 4.41 2.02 -1.24 -1.52 112.91 116.67 2nuc h THR 62 Ca -0.07 -0.04 0.03 0.00 0.77 0.00 0.00 66.41 67.10 2nuc h THR 62 Cb 0.55 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 2nuc h THR 62 CO 0.12 0.02 -0.19 0.50 0.37 0.00 0.00 175.52 176.34 2nuc h LYS 63 N 0.13 -0.27 -0.32 6.66 3.64 -0.96 -0.02 116.57 125.42 2nuc h LYS 63 Ca 0.12 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.55 2nuc h LYS 63 Cb 0.13 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 2nuc h LYS 63 CO -0.17 -0.18 0.11 0.87 -2.27 0.00 0.00 179.45 177.81 2nuc h LYS 64 N -0.28 0.25 -0.67 1.90 6.56 -0.91 0.75 116.57 124.17 2nuc h LYS 64 Ca 0.07 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.64 2nuc h LYS 64 Cb 0.38 -0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 31.95 2nuc h LYS 64 CO -0.21 0.16 0.39 1.98 -2.06 0.00 0.00 179.45 179.71 2nuc h MET 65 N 0.25 0.91 0.06 3.15 4.05 -0.89 -1.95 114.93 120.51 2nuc h MET 65 Ca 0.14 -0.09 -0.25 0.00 -0.28 0.00 0.00 59.70 59.23 2nuc h MET 65 Cb 0.11 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 30.71 2nuc h MET 65 CO -0.15 0.66 -1.17 -0.39 0.23 0.00 0.00 176.91 176.10 2nuc h VAL 66 N 0.91 1.56 -0.00 -5.77 -1.51 -0.71 -3.18 116.25 107.54 2nuc h VAL 66 Ca 0.24 -3.21 -0.13 0.00 -1.23 0.00 0.00 66.70 62.37 2nuc h VAL 66 Cb -0.01 2.87 -0.02 0.00 -2.13 0.00 0.00 31.29 32.00 2nuc h VAL 66 CO -0.04 0.91 -0.64 -0.33 -1.23 0.00 0.00 177.57 176.24 2nuc h GLU 67 N 0.04 0.00 -0.00 5.19 5.08 -0.75 -3.13 114.58 121.01 2nuc h GLU 67 Ca -0.09 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2nuc h GLU 67 Cb 1.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.13 2nuc h GLU 67 CO 0.16 0.64 -0.30 0.09 -1.00 0.00 0.00 179.01 178.60 2nuc n ASN 68 N -3.78 0.65 -4.76 1.42 5.03 -0.74 -4.93 115.26 108.14 2nuc n ASN 68 Ca -0.01 -0.48 -0.40 0.00 0.87 0.00 0.00 54.58 54.55 2nuc n ASN 68 Cb 0.63 0.09 -0.04 0.00 -1.02 0.00 0.00 39.78 39.45 2nuc n ASN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2nuc s ALA 69 N -2.72 3.39 -0.04 5.41 0.00 -1.19 -4.94 121.76 121.68 2nuc s ALA 69 Ca 0.19 0.97 0.12 0.00 0.00 0.00 0.00 51.96 53.25 2nuc s ALA 69 Cb 0.19 -3.36 -0.12 0.00 0.00 0.00 0.00 23.12 19.83 2nuc s ALA 69 CO 0.58 -0.30 1.12 0.87 0.00 0.00 0.00 175.76 178.03 2nuc h LYS 70 N 3.56 0.00 -3.61 0.00 1.57 -1.91 -3.46 116.57 112.72 2nuc h LYS 70 Ca -0.47 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 57.98 2nuc h LYS 70 Cb 1.22 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 33.19 2nuc h LYS 70 CO 0.66 0.61 -0.74 0.15 -0.57 0.00 0.00 179.45 179.57 2nuc s LYS 71 N -2.81 0.13 -0.06 3.15 1.02 -1.26 -5.02 119.74 114.88 2nuc s LYS 71 Ca -0.00 0.14 0.05 0.00 0.02 0.00 0.00 55.97 56.18 2nuc s LYS 71 Cb 0.09 -0.37 -0.02 0.00 -0.52 0.00 0.00 37.83 37.01 2nuc s LYS 71 CO 0.80 -0.16 -0.21 0.42 -0.92 0.00 0.00 175.35 175.28 2nuc s ILE 72 N 1.08 2.41 0.01 2.17 1.01 -1.26 0.00 121.20 126.62 2nuc s ILE 72 Ca -0.09 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.65 2nuc s ILE 72 Cb -0.13 -1.91 -0.01 0.00 0.01 0.00 0.00 42.46 40.42 2nuc s ILE 72 CO -0.02 0.57 -0.09 -1.61 0.00 0.00 0.00 174.94 173.79 2nuc s GLU 73 N -0.24 0.67 -0.02 2.79 2.02 -0.35 -2.02 118.70 121.55 2nuc s GLU 73 Ca -0.01 -0.41 0.01 0.00 0.02 0.00 0.00 54.97 54.58 2nuc s GLU 73 Cb -0.13 -0.62 -0.03 0.00 0.10 0.00 0.00 34.13 33.44 2nuc s GLU 73 CO 0.03 0.16 -0.01 0.14 0.02 0.00 0.00 175.26 175.60 2nuc s VAL 74 N -0.44 4.07 -0.26 2.63 -7.23 0.98 -0.43 120.40 119.73 2nuc s VAL 74 Ca 0.01 -0.57 -0.03 0.00 -1.81 0.00 0.00 61.98 59.58 2nuc s VAL 74 Cb -0.05 -2.79 0.08 0.00 0.56 0.00 0.00 36.38 34.19 2nuc s VAL 74 CO 0.00 0.42 0.09 -0.70 -0.31 0.00 0.00 175.10 174.60 2nuc s GLU 75 N -1.40 0.47 0.55 4.82 2.12 0.63 -0.70 118.70 125.20 2nuc s GLU 75 Ca 0.18 -0.62 -0.17 0.00 0.36 0.00 0.00 54.97 54.72 2nuc s GLU 75 Cb -0.11 -1.76 -0.05 0.00 0.26 0.00 0.00 34.13 32.46 2nuc s GLU 75 CO 0.08 -0.86 1.05 -0.06 -0.54 0.00 0.00 175.26 174.93 2nuc s PHE 76 N 1.89 2.99 0.00 5.30 0.08 -1.26 -0.75 117.98 126.22 2nuc s PHE 76 Ca 0.06 1.53 0.00 0.00 0.12 0.00 0.00 56.93 58.64 2nuc s PHE 76 Cb -0.17 -3.04 0.00 0.00 -0.57 0.00 0.00 43.02 39.25 2nuc s PHE 76 CO -0.22 -1.02 0.00 -3.47 -0.10 0.00 0.00 175.22 170.41 2nuc n ASP 77 N -1.62 0.00 -0.58 1.36 -0.08 -1.26 -4.64 116.55 109.72 2nuc n ASP 77 Ca 0.09 -0.45 0.13 0.00 -1.51 0.00 0.00 54.79 53.04 2nuc n ASP 77 Cb 0.53 0.00 0.42 0.00 2.34 0.00 0.00 41.12 44.41 2nuc n ASP 77 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 2nuc n LYS 78 N -0.45 1.79 0.00 -0.67 2.85 -1.26 -4.89 118.16 115.53 2nuc n LYS 78 Ca 0.00 -1.17 0.00 0.00 -1.05 0.00 0.00 58.31 56.09 2nuc n LYS 78 Cb 0.00 -1.45 0.00 0.00 -0.65 0.00 0.00 35.03 32.93 2nuc n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2nuc n GLY 79 N 1.19 3.13 3.77 2.58 0.00 -1.26 -4.97 105.19 109.63 2nuc n GLY 79 Ca 0.18 -1.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.07 2nuc n GLY 79 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2nuc s GLN 80 N 4.55 3.88 0.00 1.61 0.00 -1.26 -4.95 119.66 123.49 2nuc s GLN 80 Ca 0.00 2.06 0.24 0.00 -0.00 0.00 0.00 55.36 57.66 2nuc s GLN 80 Cb 0.00 -2.65 0.31 0.00 0.00 0.00 0.00 33.01 30.67 2nuc s GLN 80 CO 0.00 -0.53 1.30 0.54 0.00 0.00 0.00 175.29 176.60 2nuc n ARG 81 N -0.06 1.47 -3.96 9.60 1.74 -1.26 -4.82 116.66 119.36 2nuc n ARG 81 Ca 0.05 -1.13 -0.09 0.00 -0.77 0.00 0.00 57.85 55.91 2nuc n ARG 81 Cb 0.45 -1.48 -0.10 0.00 -1.02 0.00 0.00 32.46 30.31 2nuc n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2nuc s THR 82 N -2.31 0.13 0.35 0.55 -4.23 -1.26 -0.55 115.64 108.32 2nuc s THR 82 Ca 0.24 -1.05 0.02 0.00 -1.18 0.00 0.00 61.69 59.73 2nuc s THR 82 Cb 0.19 -0.66 0.07 0.00 1.34 0.00 0.00 72.50 73.44 2nuc s THR 82 CO 0.47 -0.58 0.49 -0.90 -0.54 0.00 0.00 174.62 173.56 2nuc n ASP 83 N 1.11 0.89 0.31 3.99 5.68 -0.06 -4.89 116.55 123.59 2nuc n ASP 83 Ca -0.21 -1.70 0.19 0.00 -0.50 0.00 0.00 54.79 52.57 2nuc n ASP 83 Cb 0.57 -0.29 1.02 0.00 -1.14 0.00 0.00 41.12 41.28 2nuc n ASP 83 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2nuc h LYS 84 N 0.00 0.00 -0.33 0.11 2.10 -2.03 -1.50 116.57 114.92 2nuc h LYS 84 Ca -0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 2nuc h LYS 84 Cb 0.66 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.99 2nuc h LYS 84 CO 0.20 0.02 0.00 0.66 -2.00 0.00 0.00 179.45 178.32 2nuc n TYR 85 N -3.42 0.43 -1.07 0.07 4.01 -1.26 -4.91 117.16 111.01 2nuc n TYR 85 Ca -0.03 -0.22 -0.03 0.00 -0.16 0.00 0.00 57.90 57.47 2nuc n TYR 85 Cb 0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.13 2nuc n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2nuc n GLY 86 N 1.13 0.58 3.80 2.72 0.00 -0.57 -5.02 105.19 107.84 2nuc n GLY 86 Ca 0.14 -0.51 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 2nuc n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nuc s ARG 87 N -1.56 4.33 0.23 1.61 0.52 -1.26 -4.77 118.95 118.05 2nuc s ARG 87 Ca 0.00 0.89 -0.30 0.00 -0.52 0.00 0.00 55.73 55.80 2nuc s ARG 87 Cb 0.00 -3.21 -0.09 0.00 0.52 0.00 0.00 34.95 32.17 2nuc s ARG 87 CO 0.00 0.60 1.13 0.20 0.02 0.00 0.00 175.30 177.24 2nuc s GLY 88 N -1.18 2.91 -0.33 -3.53 0.00 0.21 -0.88 107.32 104.51 2nuc s GLY 88 Ca 0.32 0.90 -0.08 0.00 0.00 0.00 0.00 44.72 45.86 2nuc s GLY 88 CO 0.22 1.64 0.13 1.08 0.00 0.00 0.00 173.10 176.17 2nuc s LEU 89 N -0.86 4.27 0.27 0.66 1.43 0.28 -0.43 118.68 124.30 2nuc s LEU 89 Ca 0.48 -0.92 -0.13 0.00 -1.03 0.00 0.00 54.13 52.53 2nuc s LEU 89 Cb -0.32 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 43.98 2nuc s LEU 89 CO 0.39 -0.29 0.52 0.00 0.23 0.00 0.00 176.35 177.20 2nuc s ALA 90 N 1.49 -0.29 -0.22 4.21 0.00 -1.16 -4.38 121.76 121.41 2nuc s ALA 90 Ca 0.01 -0.87 -0.12 0.00 0.00 0.00 0.00 51.96 50.98 2nuc s ALA 90 Cb -0.18 1.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.92 2nuc s ALA 90 CO 0.04 -0.88 0.24 0.71 0.00 0.00 0.00 175.76 175.87 2nuc s TYR 91 N -3.82 3.34 -0.12 0.00 2.02 0.07 -1.23 117.35 117.61 2nuc s TYR 91 Ca 0.22 0.37 -0.01 0.00 -0.37 0.00 0.00 57.07 57.27 2nuc s TYR 91 Cb -0.02 -2.35 -0.02 0.00 -0.40 0.00 0.00 41.96 39.17 2nuc s TYR 91 CO 0.10 0.05 -0.10 0.42 -1.57 0.00 0.00 175.55 174.45 2nuc s ILE 92 N 1.11 3.39 -0.12 2.71 1.01 -1.26 -0.26 121.20 127.78 2nuc s ILE 92 Ca 0.12 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.21 2nuc s ILE 92 Cb -0.14 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.88 2nuc s ILE 92 CO 0.05 0.53 -0.09 -0.31 0.00 0.00 0.00 174.94 175.13 2nuc s TYR 93 N 0.13 2.90 -0.33 3.97 1.51 0.43 -0.35 117.35 125.61 2nuc s TYR 93 Ca -0.04 -0.33 -0.03 0.00 -1.01 0.00 0.00 57.07 55.66 2nuc s TYR 93 Cb -0.14 -1.83 0.06 0.00 -0.11 0.00 0.00 41.96 39.94 2nuc s TYR 93 CO 0.04 0.01 0.06 0.00 -1.11 0.00 0.00 175.55 174.55 2nuc s ALA 94 N -0.03 2.92 -1.41 3.71 0.00 0.79 -1.21 121.76 126.53 2nuc s ALA 94 Ca -0.01 -1.90 -0.07 0.00 0.00 0.00 0.00 51.96 49.98 2nuc s ALA 94 Cb -0.14 -2.09 0.04 0.00 0.00 0.00 0.00 23.12 20.93 2nuc s ALA 94 CO 0.03 -1.38 0.86 -0.25 0.00 0.00 0.00 175.76 175.02 2nuc n ASP 95 N 4.66 -3.08 0.00 0.00 8.00 0.10 -1.15 116.55 125.07 2nuc n ASP 95 Ca -0.11 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.61 2nuc n ASP 95 Cb 0.43 -4.05 0.00 0.00 -0.02 0.00 0.00 41.12 37.48 2nuc n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nuc n GLY 96 N -1.65 1.22 3.49 0.44 0.00 -1.26 -5.02 105.19 102.42 2nuc n GLY 96 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 2nuc n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nuc s LYS 97 N -0.02 3.69 -0.18 1.61 1.02 -0.30 -5.04 119.74 120.52 2nuc s LYS 97 Ca 0.00 -0.50 -0.29 0.00 0.02 0.00 0.00 55.97 55.20 2nuc s LYS 97 Cb 0.00 -3.03 -0.03 0.00 -0.52 0.00 0.00 37.83 34.25 2nuc s LYS 97 CO 0.00 0.14 1.51 1.41 -0.92 0.00 0.00 175.35 177.49 2nuc s MET 98 N 0.66 4.00 0.24 1.68 1.75 -1.26 -0.15 119.30 126.21 2nuc s MET 98 Ca -0.01 1.74 -0.07 0.00 -1.25 0.00 0.00 55.69 56.11 2nuc s MET 98 Cb -0.14 -3.95 0.24 0.00 2.84 0.00 0.00 34.83 33.82 2nuc s MET 98 CO 0.02 -1.04 1.92 0.28 -0.65 0.00 0.00 175.02 175.55 2nuc h VAL 99 N 5.85 1.25 -0.23 10.11 2.07 -1.06 -1.66 116.25 132.58 2nuc h VAL 99 Ca -0.33 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 66.78 2nuc h VAL 99 Cb 1.14 -0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 2nuc h VAL 99 CO 0.99 0.25 -0.10 0.78 0.02 0.00 0.00 177.57 179.50 2nuc h ASN 100 N 1.32 -0.35 -0.38 0.57 4.21 -1.91 -1.82 115.58 117.22 2nuc h ASN 100 Ca 0.35 0.09 -0.10 0.00 1.21 0.00 0.00 56.30 57.85 2nuc h ASN 100 Cb -0.14 0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.25 2nuc h ASN 100 CO -0.07 -0.14 -0.17 -0.08 -1.29 0.00 0.00 177.43 175.68 2nuc h GLU 101 N -0.07 0.79 -0.59 0.81 4.22 -1.88 -2.96 114.58 114.89 2nuc h GLU 101 Ca 0.12 -0.34 0.10 0.00 0.08 0.00 0.00 59.36 59.32 2nuc h GLU 101 Cb 0.26 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.40 2nuc h GLU 101 CO -0.28 0.96 0.18 0.00 -2.18 0.00 0.00 179.01 177.69 2nuc h ALA 102 N 0.81 0.73 -0.38 2.92 0.00 -0.98 0.13 119.26 122.49 2nuc h ALA 102 Ca 0.09 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2nuc h ALA 102 Cb 0.72 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2nuc h ALA 102 CO 0.05 -0.25 0.11 -0.07 0.00 0.00 0.00 179.25 179.09 2nuc h LEU 103 N 0.33 0.56 -0.18 0.00 3.38 -1.32 -2.57 115.31 115.51 2nuc h LEU 103 Ca 0.30 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2nuc h LEU 103 Cb 0.41 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2nuc h LEU 103 CO -0.35 0.64 0.06 0.58 0.09 0.00 0.00 178.44 179.46 2nuc h VAL 104 N 0.47 1.17 -0.07 1.22 2.07 -1.27 -0.07 116.25 119.77 2nuc h VAL 104 Ca 0.12 -0.52 0.02 0.00 0.82 0.00 0.00 66.70 67.14 2nuc h VAL 104 Cb 0.28 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2nuc h VAL 104 CO -0.00 0.16 0.05 -0.09 0.02 0.00 0.00 177.57 177.71 2nuc h ARG 105 N 0.12 0.00 -0.00 1.57 9.65 -0.68 -1.14 114.38 123.90 2nuc h ARG 105 Ca 0.06 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 2nuc h ARG 105 Cb 0.20 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.78 2nuc h ARG 105 CO -0.00 0.00 -0.20 1.04 2.80 0.00 0.00 179.97 183.60 2nuc n GLN 106 N -4.44 0.25 -1.71 0.20 1.13 -0.98 -4.40 117.38 107.44 2nuc n GLN 106 Ca -0.01 -0.09 -0.00 0.00 -1.94 0.00 0.00 57.00 54.95 2nuc n GLN 106 Cb 0.15 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 29.01 2nuc n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2nuc n GLY 107 N 1.42 0.37 0.72 1.08 0.00 -0.43 -4.32 105.19 104.04 2nuc n GLY 107 Ca 0.09 -0.93 0.09 0.00 0.00 0.00 0.00 46.02 45.27 2nuc n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2nuc n LEU 108 N -0.07 2.50 -3.55 0.99 4.77 -0.06 -1.11 117.00 120.47 2nuc n LEU 108 Ca -0.01 -0.99 -0.13 0.00 -0.03 0.00 0.00 56.01 54.86 2nuc n LEU 108 Cb 0.36 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.40 2nuc n LEU 108 CO 0.01 0.44 0.29 0.00 -1.33 0.00 0.00 177.39 176.79 2nuc s ALA 109 N -1.57 -1.32 0.15 -1.18 0.00 -1.19 -4.39 121.76 112.27 2nuc s ALA 109 Ca 0.21 0.45 0.08 0.00 0.00 0.00 0.00 51.96 52.71 2nuc s ALA 109 Cb 0.15 0.55 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 2nuc s ALA 109 CO 0.24 -0.59 -0.09 0.15 0.00 0.00 0.00 175.76 175.47 2nuc s LYS 110 N -3.00 2.09 0.01 0.00 1.02 -0.80 -4.47 119.74 114.59 2nuc s LYS 110 Ca -0.02 -1.16 -0.30 0.00 0.02 0.00 0.00 55.97 54.50 2nuc s LYS 110 Cb -0.00 -2.22 -0.04 0.00 -0.52 0.00 0.00 37.83 35.04 2nuc s LYS 110 CO -0.06 0.46 1.19 0.08 -0.92 0.00 0.00 175.35 176.10 2nuc s VAL 111 N -1.50 4.18 0.30 3.17 1.01 -1.26 -1.18 120.40 125.11 2nuc s VAL 111 Ca 0.23 1.54 -0.15 0.00 0.00 0.00 0.00 61.98 63.61 2nuc s VAL 111 Cb -0.10 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.31 2nuc s VAL 111 CO 0.15 0.07 0.63 0.00 0.00 0.00 0.00 175.10 175.94 2nuc s ALA 112 N 1.56 -0.58 -1.38 5.51 0.00 -0.65 -4.89 121.76 121.33 2nuc s ALA 112 Ca 0.57 -0.73 -0.03 0.00 0.00 0.00 0.00 51.96 51.78 2nuc s ALA 112 Cb -0.27 0.92 0.02 0.00 0.00 0.00 0.00 23.12 23.79 2nuc s ALA 112 CO 0.26 -0.94 0.65 0.66 0.00 0.00 0.00 175.76 176.39 2nuc n TYR 113 N -0.46 -1.88 -2.64 0.00 4.01 -1.26 -3.51 117.16 111.42 2nuc n TYR 113 Ca -0.04 0.82 -0.42 0.00 -0.16 0.00 0.00 57.90 58.10 2nuc n TYR 113 Cb 0.60 -4.09 -0.02 0.00 -0.31 0.00 0.00 39.34 35.52 2nuc n TYR 113 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2nuc s VAL 114 N -3.70 4.12 -0.27 -0.72 1.01 -1.26 -4.55 120.40 115.04 2nuc s VAL 114 Ca 0.12 -1.15 -0.08 0.00 0.00 0.00 0.00 61.98 60.86 2nuc s VAL 114 Cb -0.06 -5.03 -0.03 0.00 0.00 0.00 0.00 36.38 31.26 2nuc s VAL 114 CO 0.84 -1.87 0.11 -0.31 0.00 0.00 0.00 175.10 173.87 2nuc s TYR 115 N 4.36 3.13 0.62 5.22 2.02 -1.26 -5.05 117.35 126.39 2nuc s TYR 115 Ca 0.45 -0.39 -0.14 0.00 -0.37 0.00 0.00 57.07 56.62 2nuc s TYR 115 Cb -0.00 -2.29 -0.03 0.00 -0.40 0.00 0.00 41.96 39.24 2nuc s TYR 115 CO -0.07 -0.36 1.05 -1.59 -1.57 0.00 0.00 175.55 173.01 2nuc s LYS 116 N 1.63 3.27 -0.09 -0.62 -2.85 -1.26 -0.83 119.74 119.00 2nuc s LYS 116 Ca 0.06 1.05 0.04 0.00 -1.00 0.00 0.00 55.97 56.12 2nuc s LYS 116 Cb -0.16 -2.03 0.28 0.00 -2.06 0.00 0.00 37.83 33.86 2nuc s LYS 116 CO 0.05 -0.83 0.97 -0.35 0.10 0.00 0.00 175.35 175.29 2nuc n PRO 117 N -2.44 2.27 -1.87 1.78 -0.04 -1.26 -4.98 135.00 128.46 2nuc n PRO 117 Ca 0.08 -1.09 -0.40 0.00 -0.04 0.00 0.00 63.50 62.05 2nuc n PRO 117 Cb 0.53 -1.73 -0.01 0.00 -0.04 0.00 0.00 33.50 32.25 2nuc n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2nuc n ASN 118 N 0.19 7.51 -0.97 3.54 3.02 -0.01 -4.31 115.26 124.23 2nuc n ASN 118 Ca 0.11 -2.98 0.01 0.00 -0.03 0.00 0.00 54.58 51.68 2nuc n ASN 118 Cb 0.61 -1.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.34 2nuc n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2nuc n ASN 119 N 2.76 0.31 -0.33 6.41 6.94 -1.26 -4.51 115.26 125.59 2nuc n ASN 119 Ca 0.62 -1.90 0.15 0.00 -0.02 0.00 0.00 54.58 53.43 2nuc n ASN 119 Cb 0.27 -0.17 0.37 0.00 -2.36 0.00 0.00 39.78 37.89 2nuc n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 2nuc h THR 120 N 6.59 0.70 -0.66 5.53 2.02 -1.97 -0.72 112.91 124.40 2nuc h THR 120 Ca -0.16 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.79 2nuc h THR 120 Cb 1.57 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 2nuc h THR 120 CO 0.01 0.12 0.00 1.41 0.37 0.00 0.00 175.52 177.43 2nuc n HIS 121 N -4.69 1.39 -0.11 3.16 8.25 -1.26 -4.63 115.22 117.32 2nuc n HIS 121 Ca 0.22 -0.57 -0.05 0.00 -0.26 0.00 0.00 57.72 57.06 2nuc n HIS 121 Cb 0.61 -0.20 0.02 0.00 1.12 0.00 0.00 29.99 31.55 2nuc n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2nuc h GLU 122 N 4.08 0.20 -0.71 -0.41 4.81 -1.50 -2.06 114.58 118.99 2nuc h GLU 122 Ca 0.00 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 2nuc h GLU 122 Cb 1.35 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.66 2nuc h GLU 122 CO 0.19 0.14 0.19 1.96 -0.73 0.00 0.00 179.01 180.76 2nuc h GLN 123 N 0.21 1.13 -0.10 1.92 1.08 -1.82 -0.77 115.11 116.76 2nuc h GLN 123 Ca 0.18 -0.26 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2nuc h GLN 123 Cb 0.21 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 2nuc h GLN 123 CO -0.23 0.98 0.06 1.25 -0.95 0.00 0.00 178.83 179.94 2nuc h HIS 124 N 1.08 0.11 -0.38 2.96 -0.00 -1.82 -1.43 115.15 115.67 2nuc h HIS 124 Ca 0.23 0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.52 2nuc h HIS 124 Cb 0.35 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.70 2nuc h HIS 124 CO 0.03 0.07 -0.08 -0.07 -0.00 0.00 0.00 177.93 177.88 2nuc h LEU 125 N 0.13 0.62 -0.46 0.26 3.38 -1.18 -2.50 115.31 115.56 2nuc h LEU 125 Ca 0.04 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 2nuc h LEU 125 Cb -0.01 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2nuc h LEU 125 CO -0.01 0.75 0.01 0.03 0.09 0.00 0.00 178.44 179.30 2nuc h ARG 126 N 0.59 0.81 -0.87 1.13 3.08 -0.84 -0.02 114.38 118.26 2nuc h ARG 126 Ca 0.11 -0.25 0.06 0.00 0.07 0.00 0.00 59.98 59.97 2nuc h ARG 126 Cb 0.50 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.41 2nuc h ARG 126 CO 0.03 0.86 0.54 -0.22 -1.07 0.00 0.00 179.97 180.11 2nuc h LYS 127 N 0.66 0.96 -0.18 0.04 3.64 -1.00 0.15 116.57 120.85 2nuc h LYS 127 Ca 0.13 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.31 2nuc h LYS 127 Cb 0.49 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2nuc h LYS 127 CO 0.02 0.64 -0.48 0.77 -2.27 0.00 0.00 179.45 178.13 2nuc h SER 128 N 0.99 0.50 -0.65 4.20 0.02 -1.04 -2.74 113.55 114.83 2nuc h SER 128 Ca 0.38 -0.24 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 2nuc h SER 128 Cb 0.17 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 2nuc h SER 128 CO -0.17 0.90 0.15 -0.08 -1.14 0.00 0.00 176.83 176.49 2nuc h GLU 129 N 0.37 1.07 -0.44 3.45 4.81 0.50 -1.58 114.58 122.76 2nuc h GLU 129 Ca 0.02 -0.26 -0.06 0.00 -0.13 0.00 0.00 59.36 58.93 2nuc h GLU 129 Cb 0.98 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 2nuc h GLU 129 CO 0.09 0.95 0.02 0.00 -0.73 0.00 0.00 179.01 179.35 2nuc h ALA 130 N 1.14 1.21 -0.25 2.92 0.00 -0.83 0.06 119.26 123.52 2nuc h ALA 130 Ca 0.21 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2nuc h ALA 130 Cb 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2nuc h ALA 130 CO 0.00 0.52 -0.12 0.37 0.00 0.00 0.00 179.25 180.03 2nuc h GLN 131 N 0.67 0.52 -0.63 0.00 5.75 -1.17 -0.52 115.11 119.72 2nuc h GLN 131 Ca 0.14 -0.23 -0.03 0.00 -0.15 0.00 0.00 58.65 58.38 2nuc h GLN 131 Cb 0.38 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.88 2nuc h GLN 131 CO 0.01 0.78 0.28 0.00 -2.65 0.00 0.00 178.83 177.25 2nuc h ALA 132 N 0.73 1.30 0.13 3.38 0.00 -1.00 -1.82 119.26 121.97 2nuc h ALA 132 Ca 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2nuc h ALA 132 Cb 0.62 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2nuc h ALA 132 CO 0.04 0.53 -0.06 0.87 0.00 0.00 0.00 179.25 180.63 2nuc h LYS 133 N 0.90 -0.16 0.00 0.00 1.57 -0.74 -0.59 116.57 117.56 2nuc h LYS 133 Ca 0.22 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2nuc h LYS 133 Cb 0.13 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2nuc h LYS 133 CO -0.02 0.11 0.00 1.57 -0.57 0.00 0.00 179.45 180.54 2nuc h LYS 134 N -0.43 0.00 -0.37 3.15 2.10 -0.90 0.35 116.57 120.47 2nuc h LYS 134 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2nuc h LYS 134 Cb 0.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.68 2nuc h LYS 134 CO 0.03 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.87 2nuc n GLU 135 N -2.46 2.48 -4.03 0.07 1.02 -0.70 -4.97 120.64 112.05 2nuc n GLU 135 Ca 0.00 -2.23 -0.28 0.00 -0.02 0.00 0.00 57.16 54.63 2nuc n GLU 135 Cb 0.16 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 30.05 2nuc n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2nuc n LYS 136 N 1.45 -3.18 -2.87 3.49 4.76 0.12 -4.92 118.16 117.02 2nuc n LYS 136 Ca 0.19 0.38 -0.41 0.00 -2.87 0.00 0.00 58.31 55.61 2nuc n LYS 136 Cb 0.60 -4.62 -0.04 0.00 -1.84 0.00 0.00 35.03 29.13 2nuc n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2nuc s LEU 137 N -7.07 4.43 0.00 -0.35 1.43 -0.31 -3.21 118.68 113.59 2nuc s LEU 137 Ca 0.18 1.55 0.00 0.00 -1.03 0.00 0.00 54.13 54.83 2nuc s LEU 137 Cb -0.10 -3.38 0.00 0.00 0.03 0.00 0.00 46.19 42.75 2nuc s LEU 137 CO 0.90 -0.08 0.00 0.59 0.23 0.00 0.00 176.35 177.99 2nuc n ASN 138 N 3.16 0.00 0.05 2.29 3.02 -1.26 -0.02 115.26 122.50 2nuc n ASN 138 Ca 0.01 0.00 0.21 0.00 -0.03 0.00 0.00 54.58 54.77 2nuc n ASN 138 Cb 0.50 0.00 0.68 0.00 -0.61 0.00 0.00 39.78 40.35 2nuc n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2nuc h ILE 139 N 0.00 0.25 -0.32 2.41 2.04 -1.43 0.30 117.51 120.76 2nuc h ILE 139 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2nuc h ILE 139 Cb 0.00 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2nuc h ILE 139 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 178.15 178.94 2nuc n TRP 140 N -3.52 0.41 1.76 1.37 7.02 0.97 -5.13 117.44 120.32 2nuc n TRP 140 Ca 0.10 -0.21 0.15 0.00 -1.02 0.00 0.00 57.50 56.51 2nuc n TRP 140 Cb 0.79 -0.00 0.75 0.00 -2.42 0.00 0.00 31.31 30.43 2nuc n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54