#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nuc s HIS 8 N 0.00 -0.32 0.31 -1.77 5.65 -1.26 -5.11 115.29 112.79 3nuc s HIS 8 Ca 0.00 0.78 -0.22 0.00 0.25 0.00 0.00 55.06 55.87 3nuc s HIS 8 Cb 0.00 0.03 -0.10 0.00 -1.18 0.00 0.00 32.58 31.34 3nuc s HIS 8 CO 0.00 -0.24 0.86 0.15 -0.65 0.00 0.00 174.74 174.86 3nuc s LYS 9 N 1.33 4.35 0.01 2.88 1.02 -1.26 -4.33 119.74 123.73 3nuc s LYS 9 Ca -0.09 1.07 0.01 0.00 0.02 0.00 0.00 55.97 56.99 3nuc s LYS 9 Cb -0.11 -2.66 -0.01 0.00 -0.52 0.00 0.00 37.83 34.54 3nuc s LYS 9 CO -0.08 0.24 -0.04 -1.21 -0.92 0.00 0.00 175.35 173.33 3nuc s GLU 10 N -2.37 0.33 0.54 1.68 2.02 0.23 -4.93 118.70 116.20 3nuc s GLU 10 Ca 0.51 -0.26 -0.20 0.00 0.02 0.00 0.00 54.97 55.04 3nuc s GLU 10 Cb -0.15 -0.26 -0.06 0.00 0.10 0.00 0.00 34.13 33.77 3nuc s GLU 10 CO 0.20 0.06 1.17 -2.14 0.02 0.00 0.00 175.26 174.57 3nuc s PRO 11 N -0.40 3.34 0.13 0.39 0.02 -1.26 0.01 135.00 137.23 3nuc s PRO 11 Ca -0.02 1.72 -0.11 0.00 0.02 0.00 0.00 61.00 62.62 3nuc s PRO 11 Cb -0.03 -2.08 0.01 0.00 0.02 0.00 0.00 34.50 32.41 3nuc s PRO 11 CO -0.00 -0.88 0.30 0.00 -0.33 0.00 0.00 177.00 176.09 3nuc s ALA 12 N -1.66 -0.38 -0.09 -1.55 0.00 -0.86 -4.67 121.76 112.54 3nuc s ALA 12 Ca 0.72 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 52.16 3nuc s ALA 12 Cb -0.27 0.69 0.01 0.00 0.00 0.00 0.00 23.12 23.55 3nuc s ALA 12 CO 0.31 -0.61 -0.16 0.99 0.00 0.00 0.00 175.76 176.28 3nuc s THR 13 N -3.88 1.51 0.23 0.00 2.01 -0.74 -4.21 115.64 110.56 3nuc s THR 13 Ca 0.09 -0.68 -0.31 0.00 0.31 0.00 0.00 61.69 61.10 3nuc s THR 13 Cb 0.03 -1.36 -0.11 0.00 0.01 0.00 0.00 72.50 71.07 3nuc s THR 13 CO -0.07 0.44 1.61 -0.22 -0.69 0.00 0.00 174.62 175.70 3nuc s LEU 14 N 0.75 4.36 -0.17 4.42 0.20 -1.26 -0.02 118.68 126.96 3nuc s LEU 14 Ca -0.12 2.81 -0.11 0.00 0.69 0.00 0.00 54.13 57.40 3nuc s LEU 14 Cb -0.16 -3.61 -0.07 0.00 -0.43 0.00 0.00 46.19 41.92 3nuc s LEU 14 CO 0.02 -0.89 -0.26 -0.38 -0.29 0.00 0.00 176.35 174.55 3nuc n ILE 15 N 3.26 1.23 -3.64 6.68 5.41 -0.01 -4.81 119.36 127.47 3nuc n ILE 15 Ca 0.12 -0.11 -0.08 0.00 1.00 0.00 0.00 62.75 63.68 3nuc n ILE 15 Cb 0.37 -1.91 -0.07 0.00 -0.71 0.00 0.00 39.64 37.33 3nuc n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 3nuc s LYS 16 N -2.48 0.72 0.03 0.38 2.20 -0.89 -4.99 119.74 114.71 3nuc s LYS 16 Ca -0.26 1.16 -0.29 0.00 -0.36 0.00 0.00 55.97 56.22 3nuc s LYS 16 Cb 0.08 0.19 -0.04 0.00 -1.51 0.00 0.00 37.83 36.55 3nuc s LYS 16 CO 0.34 -0.14 0.94 0.00 -0.36 0.00 0.00 175.35 176.14 3nuc s ALA 17 N 1.38 3.21 -0.15 3.13 0.00 -1.26 -0.45 121.76 127.63 3nuc s ALA 17 Ca -0.08 0.51 -0.14 0.00 0.00 0.00 0.00 51.96 52.25 3nuc s ALA 17 Cb -0.05 -3.28 -0.06 0.00 0.00 0.00 0.00 23.12 19.74 3nuc s ALA 17 CO -0.16 -0.14 -0.28 -0.89 0.00 0.00 0.00 175.76 174.29 3nuc n ILE 18 N 3.47 1.41 -2.88 0.00 5.41 -0.96 -4.95 119.36 120.86 3nuc n ILE 18 Ca 0.04 0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.88 3nuc n ILE 18 Cb 0.50 -2.13 0.00 0.00 -0.71 0.00 0.00 39.64 37.30 3nuc n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3nuc n ASP 19 N -4.23 0.00 -0.24 4.38 5.75 -0.75 -5.01 116.55 116.45 3nuc n ASP 19 Ca -0.18 -0.51 0.08 0.00 -0.01 0.00 0.00 54.79 54.17 3nuc n ASP 19 Cb 0.50 0.00 0.33 0.00 -1.03 0.00 0.00 41.12 40.92 3nuc n ASP 19 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3nuc h GLY 20 N 0.00 1.14 0.00 6.12 0.00 -1.81 -3.26 103.07 105.25 3nuc h GLY 20 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.00 3nuc h GLY 20 CO 0.00 0.20 0.00 2.09 0.00 0.00 0.00 176.54 178.83 3nuc n ASP 21 N -4.51 1.36 -4.18 0.19 5.68 -1.26 -4.80 116.55 109.02 3nuc n ASP 21 Ca 0.14 -1.43 -0.15 0.00 -0.50 0.00 0.00 54.79 52.85 3nuc n ASP 21 Cb 0.30 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.17 3nuc n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3nuc s THR 22 N -0.43 1.00 -0.07 2.12 2.01 -1.23 -1.29 115.64 117.75 3nuc s THR 22 Ca 0.00 -1.63 0.02 0.00 0.31 0.00 0.00 61.69 60.39 3nuc s THR 22 Cb 0.00 -1.36 0.02 0.00 0.01 0.00 0.00 72.50 71.17 3nuc s THR 22 CO 0.00 -0.52 -0.10 -0.75 -0.69 0.00 0.00 174.62 172.56 3nuc s LYS 24 N -2.70 1.48 0.11 4.92 2.47 0.40 -1.82 119.74 124.61 3nuc s LYS 24 Ca 0.05 -0.33 0.05 0.00 -1.56 0.00 0.00 55.97 54.19 3nuc s LYS 24 Cb -0.04 -1.29 -0.04 0.00 -1.46 0.00 0.00 37.83 35.00 3nuc s LYS 24 CO 0.01 -0.03 -0.13 -0.51 0.16 0.00 0.00 175.35 174.85 3nuc s LEU 25 N 0.83 2.38 -0.39 5.43 1.43 0.25 -0.83 118.68 127.78 3nuc s LEU 25 Ca -0.12 -0.78 -0.19 0.00 -1.03 0.00 0.00 54.13 52.01 3nuc s LEU 25 Cb -0.15 -0.49 0.01 0.00 0.03 0.00 0.00 46.19 45.59 3nuc s LEU 25 CO 0.02 -0.16 0.57 -0.32 0.23 0.00 0.00 176.35 176.69 3nuc s MET 26 N -2.55 3.44 -0.12 1.70 -2.45 0.97 -1.00 119.30 119.29 3nuc s MET 26 Ca 0.06 -0.28 0.01 0.00 -1.25 0.00 0.00 55.69 54.24 3nuc s MET 26 Cb -0.05 -3.88 0.02 0.00 1.25 0.00 0.00 34.83 32.16 3nuc s MET 26 CO 0.02 -0.82 -0.15 -0.47 1.05 0.00 0.00 175.02 174.65 3nuc s TYR 27 N 2.57 2.04 -1.48 4.11 5.04 0.12 -1.79 117.35 127.96 3nuc s TYR 27 Ca 0.20 -1.01 -0.11 0.00 -2.44 0.00 0.00 57.07 53.71 3nuc s TYR 27 Cb -0.15 -1.48 0.07 0.00 0.35 0.00 0.00 41.96 40.75 3nuc s TYR 27 CO 0.16 -0.53 0.84 1.63 -1.34 0.00 0.00 175.55 176.31 3nuc n LYS 28 N 4.34 -5.16 0.00 4.97 4.01 -1.26 -1.04 118.16 124.03 3nuc n LYS 28 Ca -0.18 0.63 0.00 0.00 -0.51 0.00 0.00 58.31 58.25 3nuc n LYS 28 Cb 0.51 -5.49 0.00 0.00 -0.51 0.00 0.00 35.03 29.54 3nuc n LYS 28 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3nuc n GLY 29 N -1.58 3.18 3.42 0.72 0.00 -1.26 -5.04 105.19 104.63 3nuc n GLY 29 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 3nuc n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3nuc s GLN 30 N -0.58 2.05 0.23 1.61 0.00 -0.20 -5.08 119.66 117.69 3nuc s GLN 30 Ca 0.00 -0.98 -0.30 0.00 -0.00 0.00 0.00 55.36 54.08 3nuc s GLN 30 Cb 0.00 -2.15 -0.09 0.00 0.00 0.00 0.00 33.01 30.77 3nuc s GLN 30 CO 0.00 0.54 0.97 -1.25 0.00 0.00 0.00 175.29 175.55 3nuc s PRO 31 N -1.28 4.80 0.08 9.60 0.04 -1.26 0.12 135.00 147.11 3nuc s PRO 31 Ca 0.13 1.54 -0.26 0.00 0.04 0.00 0.00 61.00 62.45 3nuc s PRO 31 Cb -0.10 -3.28 0.08 0.00 0.04 0.00 0.00 34.50 31.24 3nuc s PRO 31 CO 0.04 0.43 0.68 0.00 0.04 0.00 0.00 177.00 178.19 3nuc s MET 32 N -1.08 1.13 0.05 4.56 0.23 -0.17 -4.93 119.30 119.09 3nuc s MET 32 Ca 0.42 -0.26 -0.18 0.00 -1.03 0.00 0.00 55.69 54.64 3nuc s MET 32 Cb -0.27 0.53 -0.06 0.00 -1.53 0.00 0.00 34.83 33.49 3nuc s MET 32 CO 0.33 -0.46 0.51 -0.08 -2.03 0.00 0.00 175.02 173.29 3nuc s THR 33 N -3.00 4.84 0.10 3.16 -1.32 -1.26 -0.58 115.64 117.58 3nuc s THR 33 Ca -0.01 1.08 0.08 0.00 -1.21 0.00 0.00 61.69 61.63 3nuc s THR 33 Cb -0.01 -3.83 -0.04 0.00 -1.51 0.00 0.00 72.50 67.11 3nuc s THR 33 CO -0.07 0.56 -0.17 -0.36 -2.21 0.00 0.00 174.62 172.37 3nuc s PHE 34 N -1.08 2.57 -0.06 9.09 0.40 -1.26 -0.71 117.98 126.93 3nuc s PHE 34 Ca 0.27 -0.24 0.02 0.00 -0.60 0.00 0.00 56.93 56.38 3nuc s PHE 34 Cb -0.18 -1.39 0.01 0.00 0.51 0.00 0.00 43.02 41.97 3nuc s PHE 34 CO 0.17 0.36 -0.13 0.50 0.70 0.00 0.00 175.22 176.82 3nuc s ARG 35 N -1.97 1.74 0.14 0.44 6.06 0.71 -4.29 118.95 121.79 3nuc s ARG 35 Ca 0.18 -0.44 -0.31 0.00 -2.50 0.00 0.00 55.73 52.65 3nuc s ARG 35 Cb -0.11 -1.44 -0.09 0.00 0.06 0.00 0.00 34.95 33.37 3nuc s ARG 35 CO 0.09 0.05 1.56 -0.51 -2.50 0.00 0.00 175.30 173.99 3nuc s LEU 36 N 0.60 4.37 0.51 -0.88 1.43 -0.42 -2.95 118.68 121.35 3nuc s LEU 36 Ca -0.14 2.55 -0.21 0.00 -1.03 0.00 0.00 54.13 55.30 3nuc s LEU 36 Cb -0.15 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.41 3nuc s LEU 36 CO 0.04 -0.81 1.15 -0.76 0.23 0.00 0.00 176.35 176.19 3nuc s LEU 37 N 1.38 3.85 -0.69 1.79 1.43 -0.14 -4.00 118.68 122.30 3nuc s LEU 37 Ca 0.70 2.23 0.00 0.00 -1.03 0.00 0.00 54.13 56.03 3nuc s LEU 37 Cb -0.42 -4.45 0.00 0.00 0.03 0.00 0.00 46.19 41.35 3nuc s LEU 37 CO 0.31 -1.10 0.00 0.18 0.23 0.00 0.00 176.35 175.97 3nuc n LEU 38 N -0.98 0.14 -4.12 1.79 4.77 -1.26 -4.94 117.00 112.40 3nuc n LEU 38 Ca 0.10 0.16 -0.09 0.00 -0.03 0.00 0.00 56.01 56.15 3nuc n LEU 38 Cb 0.50 -2.46 -0.10 0.00 -2.33 0.00 0.00 43.42 39.03 3nuc n LEU 38 CO 0.44 -0.95 -0.29 0.68 -1.33 0.00 0.00 177.39 175.94 3nuc s VAL 39 N -1.50 0.12 -0.14 4.08 -7.23 -1.22 -1.72 120.40 112.79 3nuc s VAL 39 Ca 0.00 -1.85 -0.04 0.00 -1.81 0.00 0.00 61.98 58.28 3nuc s VAL 39 Cb 0.00 -1.93 0.07 0.00 0.56 0.00 0.00 36.38 35.08 3nuc s VAL 39 CO 0.00 -0.56 0.18 -0.62 -0.31 0.00 0.00 175.10 173.80 3nuc s ASP 40 N -3.02 1.15 0.32 4.85 2.15 -0.22 -4.67 116.67 117.24 3nuc s ASP 40 Ca 0.20 0.03 -0.06 0.00 0.43 0.00 0.00 52.55 53.15 3nuc s ASP 40 Cb 0.07 0.29 -0.05 0.00 -0.30 0.00 0.00 42.92 42.93 3nuc s ASP 40 CO -0.01 -0.29 0.61 0.42 -0.17 0.00 0.00 175.17 175.73 3nuc s THR 41 N 2.30 4.98 0.62 1.71 -4.23 -1.26 -2.19 115.64 117.57 3nuc s THR 41 Ca 0.04 0.14 -0.18 0.00 -1.18 0.00 0.00 61.69 60.51 3nuc s THR 41 Cb -0.14 -3.75 -0.02 0.00 1.34 0.00 0.00 72.50 69.93 3nuc s THR 41 CO -0.09 -0.40 1.25 -2.84 -0.54 0.00 0.00 174.62 172.01 3nuc s PRO 42 N -3.71 2.75 0.43 3.99 0.02 -1.26 -4.89 135.00 132.32 3nuc s PRO 42 Ca 0.45 1.95 -0.24 0.00 0.02 0.00 0.00 61.00 63.19 3nuc s PRO 42 Cb -0.11 -1.88 -0.08 0.00 0.02 0.00 0.00 34.50 32.45 3nuc s PRO 42 CO 0.31 -1.41 1.13 -2.00 -0.33 0.00 0.00 177.00 174.69 3nuc s GLU 43 N -3.36 3.95 0.00 5.54 2.56 -1.26 -4.54 118.70 121.60 3nuc s GLU 43 Ca 0.80 1.70 0.00 0.00 0.00 0.00 0.00 54.97 57.47 3nuc s GLU 43 Cb -0.34 -2.50 0.00 0.00 2.00 0.00 0.00 34.13 33.28 3nuc s GLU 43 CO 0.37 -0.37 0.15 0.25 -0.56 0.00 0.00 175.26 175.10 3nuc n THR 44 N -0.24 0.00 0.03 -1.70 -2.24 -1.26 -0.36 114.28 108.52 3nuc n THR 44 Ca 0.06 -0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3nuc n THR 44 Cb 0.48 1.70 -0.00 0.00 -2.10 0.00 0.00 70.33 70.41 3nuc n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3nuc n LYS 45 N -0.00 0.02 -1.67 -0.78 4.01 -1.26 -4.76 118.16 113.72 3nuc n LYS 45 Ca 0.00 0.01 -0.42 0.00 -0.51 0.00 0.00 58.31 57.39 3nuc n LYS 45 Cb 0.32 -0.40 -0.03 0.00 -0.51 0.00 0.00 35.03 34.42 3nuc n LYS 45 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 3nuc s HIS 46 N -1.73 1.38 0.52 2.13 2.46 -1.26 -4.86 115.29 113.93 3nuc s HIS 46 Ca -0.01 -0.42 0.22 0.00 0.47 0.00 0.00 55.06 55.31 3nuc s HIS 46 Cb 0.00 -4.25 1.33 0.00 -0.13 0.00 0.00 32.58 29.54 3nuc s HIS 46 CO 0.02 -5.55 2.03 -1.35 -2.47 0.00 0.00 174.74 167.42 3nuc h PRO 47 N 10.34 0.03 -0.35 2.88 0.11 -1.96 0.31 132.00 143.36 3nuc h PRO 47 Ca -0.49 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 3nuc h PRO 47 Cb 1.24 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3nuc h PRO 47 CO 0.94 0.02 -0.01 -0.22 -0.21 0.00 0.00 178.00 178.52 3nuc h LYS 48 N 0.04 0.55 0.00 1.05 3.11 -2.05 -3.15 116.57 116.11 3nuc h LYS 48 Ca 0.19 -0.12 -0.03 0.00 -2.81 0.00 0.00 60.65 57.88 3nuc h LYS 48 Cb 0.73 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.88 3nuc h LYS 48 CO -0.01 0.58 -1.94 1.63 -2.81 0.00 0.00 179.45 176.90 3nuc n LYS 49 N -4.27 0.64 -0.06 1.90 5.02 -0.36 -5.10 118.16 115.94 3nuc n LYS 49 Ca 0.02 -0.16 0.01 0.00 -2.02 0.00 0.00 58.31 56.15 3nuc n LYS 49 Cb 0.26 -1.47 -0.00 0.00 -0.02 0.00 0.00 35.03 33.79 3nuc n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3nuc n GLY 50 N 1.42 -1.39 3.53 0.72 0.00 0.96 -4.41 105.19 106.03 3nuc n GLY 50 Ca -0.06 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.37 3nuc n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3nuc s VAL 51 N -0.11 4.39 0.49 1.61 1.01 -1.26 -4.00 120.40 122.53 3nuc s VAL 51 Ca 0.00 0.40 -0.13 0.00 0.00 0.00 0.00 61.98 62.25 3nuc s VAL 51 Cb 0.00 -4.53 -0.06 0.00 0.00 0.00 0.00 36.38 31.79 3nuc s VAL 51 CO 0.00 -1.07 0.91 -1.61 0.00 0.00 0.00 175.10 173.33 3nuc s GLU 52 N 3.96 3.81 0.24 2.72 2.02 0.52 -4.98 118.70 126.98 3nuc s GLU 52 Ca 0.32 0.71 -0.31 0.00 0.02 0.00 0.00 54.97 55.70 3nuc s GLU 52 Cb -0.12 -2.23 -0.13 0.00 0.10 0.00 0.00 34.13 31.76 3nuc s GLU 52 CO 0.21 -0.24 1.56 1.17 0.02 0.00 0.00 175.26 177.98 3nuc n LYS 53 N -1.72 2.42 -0.82 1.61 0.00 -1.26 -1.18 118.16 117.21 3nuc n LYS 53 Ca 0.05 0.86 0.00 0.00 0.00 0.00 0.00 58.31 59.22 3nuc n LYS 53 Cb 0.54 -2.62 0.00 0.00 0.00 0.00 0.00 35.03 32.95 3nuc n LYS 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3nuc n TYR 54 N 2.57 0.00 0.28 5.64 4.01 -1.26 -4.78 117.16 123.62 3nuc n TYR 54 Ca 0.12 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.70 3nuc n TYR 54 Cb 0.33 -0.18 -0.08 0.00 -0.31 0.00 0.00 39.34 39.10 3nuc n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3nuc h GLY 55 N 0.00 -0.73 1.74 2.72 0.00 -1.38 0.13 103.07 105.54 3nuc h GLY 55 Ca 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 3nuc h GLY 55 CO 0.00 -0.27 0.09 -2.55 0.00 0.00 0.00 176.54 173.81 3nuc h PRO 56 N -0.70 0.34 -0.19 4.80 0.11 -1.88 -1.84 132.00 132.65 3nuc h PRO 56 Ca -0.06 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.93 3nuc h PRO 56 Cb 0.56 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.59 3nuc h PRO 56 CO 0.08 0.29 -0.20 0.93 -0.21 0.00 0.00 178.00 178.89 3nuc h GLU 57 N 0.35 0.47 -0.59 1.05 3.07 -1.84 -2.20 114.58 114.89 3nuc h GLU 57 Ca 0.09 -0.25 -0.02 0.00 -0.50 0.00 0.00 59.36 58.67 3nuc h GLU 57 Cb 0.08 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.98 3nuc h GLU 57 CO -0.01 0.83 0.28 0.00 -1.40 0.00 0.00 179.01 178.72 3nuc h ALA 58 N 0.63 0.77 -0.45 3.43 0.00 -0.49 -1.38 119.26 121.77 3nuc h ALA 58 Ca 0.03 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3nuc h ALA 58 Cb 0.75 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3nuc h ALA 58 CO 0.05 0.33 0.27 0.77 0.00 0.00 0.00 179.25 180.67 3nuc h SER 59 N 0.81 0.45 -0.62 0.00 0.02 -1.32 -1.75 113.55 111.14 3nuc h SER 59 Ca 0.20 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.10 3nuc h SER 59 Cb 0.12 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 3nuc h SER 59 CO -0.03 0.32 0.18 0.00 -1.14 0.00 0.00 176.83 176.17 3nuc h ALA 60 N 1.19 0.81 0.19 3.77 0.00 -1.10 -0.53 119.26 123.60 3nuc h ALA 60 Ca 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3nuc h ALA 60 Cb -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3nuc h ALA 60 CO -0.07 0.50 -0.09 0.35 0.00 0.00 0.00 179.25 179.93 3nuc h PHE 61 N 0.89 -0.23 -0.19 0.00 3.04 -0.99 -0.67 116.94 118.79 3nuc h PHE 61 Ca 0.20 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.14 3nuc h PHE 61 Cb 0.31 0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.89 3nuc h PHE 61 CO 0.02 -0.15 0.12 1.15 -2.02 0.00 0.00 178.31 177.43 3nuc h THR 62 N -0.25 1.08 -0.10 4.41 2.02 -1.25 -1.20 112.91 117.61 3nuc h THR 62 Ca -0.03 -0.19 0.04 0.00 0.77 0.00 0.00 66.41 67.01 3nuc h THR 62 Cb 0.19 0.86 -0.05 0.00 -1.74 0.00 0.00 68.15 67.41 3nuc h THR 62 CO 0.04 0.07 -0.18 0.50 0.37 0.00 0.00 175.52 176.32 3nuc h LYS 63 N 0.23 -0.24 -0.19 6.66 3.64 -0.97 0.57 116.57 126.27 3nuc h LYS 63 Ca 0.07 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 3nuc h LYS 63 Cb 0.02 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 3nuc h LYS 63 CO -0.01 -0.16 -0.05 0.87 -2.27 0.00 0.00 179.45 177.83 3nuc h LYS 64 N -0.25 0.00 -0.66 1.90 6.56 -0.96 -0.23 116.57 122.94 3nuc h LYS 64 Ca 0.09 -0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.69 3nuc h LYS 64 Cb 0.37 -0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.00 3nuc h LYS 64 CO -0.24 0.00 0.43 1.98 -2.06 0.00 0.00 179.45 179.56 3nuc h MET 65 N 0.00 0.84 0.03 3.15 4.05 -0.66 -2.25 114.93 120.09 3nuc h MET 65 Ca 0.09 -0.05 -0.24 0.00 -0.28 0.00 0.00 59.70 59.22 3nuc h MET 65 Cb 0.14 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 30.72 3nuc h MET 65 CO -0.20 0.56 -1.23 -0.39 0.23 0.00 0.00 176.91 175.88 3nuc h VAL 66 N 0.87 1.46 -0.04 -5.77 -1.51 -0.67 -3.27 116.25 107.32 3nuc h VAL 66 Ca 0.25 -3.17 -0.14 0.00 -1.23 0.00 0.00 66.70 62.41 3nuc h VAL 66 Cb -0.07 2.77 -0.01 0.00 -2.13 0.00 0.00 31.29 31.84 3nuc h VAL 66 CO -0.07 0.85 -0.60 -0.33 -1.23 0.00 0.00 177.57 176.20 3nuc h GLU 67 N 0.02 0.12 -0.01 5.19 5.08 -0.94 -3.12 114.58 120.92 3nuc h GLU 67 Ca -0.11 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3nuc h GLU 67 Cb 1.87 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.13 3nuc h GLU 67 CO 0.13 0.68 -0.03 0.09 -1.00 0.00 0.00 179.01 178.88 3nuc n ASN 68 N -3.85 1.32 -4.79 1.42 5.03 -0.86 -4.93 115.26 108.60 3nuc n ASN 68 Ca -0.02 -1.37 -0.36 0.00 0.87 0.00 0.00 54.58 53.70 3nuc n ASN 68 Cb 0.61 0.01 -0.06 0.00 -1.02 0.00 0.00 39.78 39.32 3nuc n ASN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3nuc s ALA 69 N -2.07 3.14 0.06 5.41 0.00 -1.18 -4.95 121.76 122.16 3nuc s ALA 69 Ca 0.37 0.55 -0.01 0.00 0.00 0.00 0.00 51.96 52.86 3nuc s ALA 69 Cb 0.21 -3.20 -0.27 0.00 0.00 0.00 0.00 23.12 19.86 3nuc s ALA 69 CO 0.36 0.06 1.06 0.87 0.00 0.00 0.00 175.76 178.11 3nuc h LYS 70 N 2.73 0.21 -4.03 0.00 1.57 -1.91 -3.46 116.57 111.67 3nuc h LYS 70 Ca -0.48 -0.36 -0.31 0.00 -1.87 0.00 0.00 60.65 57.64 3nuc h LYS 70 Cb 1.20 0.13 -0.30 0.00 0.08 0.00 0.00 32.23 33.34 3nuc h LYS 70 CO 0.63 1.12 -0.74 0.15 -0.57 0.00 0.00 179.45 180.04 3nuc s LYS 71 N -2.65 0.30 -0.04 3.15 1.02 -1.26 -5.03 119.74 115.22 3nuc s LYS 71 Ca -0.05 -0.08 0.06 0.00 0.02 0.00 0.00 55.97 55.92 3nuc s LYS 71 Cb 0.07 -0.33 -0.01 0.00 -0.52 0.00 0.00 37.83 37.05 3nuc s LYS 71 CO 0.86 0.03 -0.22 0.42 -0.92 0.00 0.00 175.35 175.52 3nuc s ILE 72 N 0.16 1.83 0.01 2.17 1.01 -1.26 -0.75 121.20 124.37 3nuc s ILE 72 Ca -0.01 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.71 3nuc s ILE 72 Cb -0.04 -1.54 -0.01 0.00 0.01 0.00 0.00 42.46 40.87 3nuc s ILE 72 CO -0.00 0.51 -0.09 -1.61 0.00 0.00 0.00 174.94 173.75 3nuc s GLU 73 N -0.22 0.65 -0.01 2.79 2.02 -0.57 -2.04 118.70 121.33 3nuc s GLU 73 Ca -0.00 -0.45 0.03 0.00 0.02 0.00 0.00 54.97 54.57 3nuc s GLU 73 Cb -0.12 -0.60 -0.03 0.00 0.10 0.00 0.00 34.13 33.48 3nuc s GLU 73 CO 0.02 0.15 -0.09 0.14 0.02 0.00 0.00 175.26 175.50 3nuc s VAL 74 N -0.53 3.48 -0.25 2.63 -7.23 0.10 -0.69 120.40 117.91 3nuc s VAL 74 Ca 0.00 -0.76 -0.02 0.00 -1.81 0.00 0.00 61.98 59.39 3nuc s VAL 74 Cb -0.05 -2.47 0.08 0.00 0.56 0.00 0.00 36.38 34.50 3nuc s VAL 74 CO 0.00 0.45 0.08 -0.70 -0.31 0.00 0.00 175.10 174.62 3nuc s GLU 75 N -1.21 0.57 0.59 4.82 2.12 0.02 -0.60 118.70 125.02 3nuc s GLU 75 Ca 0.15 -0.67 -0.16 0.00 0.36 0.00 0.00 54.97 54.66 3nuc s GLU 75 Cb -0.11 -1.88 -0.04 0.00 0.26 0.00 0.00 34.13 32.36 3nuc s GLU 75 CO 0.05 -0.84 1.05 -0.06 -0.54 0.00 0.00 175.26 174.93 3nuc s PHE 76 N 1.82 3.01 0.00 5.30 0.08 -1.26 -1.13 117.98 125.81 3nuc s PHE 76 Ca 0.05 1.51 0.00 0.00 0.12 0.00 0.00 56.93 58.61 3nuc s PHE 76 Cb -0.17 -3.00 0.00 0.00 -0.57 0.00 0.00 43.02 39.28 3nuc s PHE 76 CO -0.20 -1.07 0.00 -3.47 -0.10 0.00 0.00 175.22 170.38 3nuc n ASP 77 N -1.99 0.00 -0.03 1.36 -0.08 -1.26 -4.59 116.55 109.96 3nuc n ASP 77 Ca 0.09 -0.59 0.13 0.00 -1.51 0.00 0.00 54.79 52.90 3nuc n ASP 77 Cb 0.53 0.00 0.45 0.00 2.34 0.00 0.00 41.12 44.44 3nuc n ASP 77 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 3nuc n LYS 78 N -0.59 0.14 0.00 -0.67 2.85 -1.26 -4.89 118.16 113.73 3nuc n LYS 78 Ca 0.00 -0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.21 3nuc n LYS 78 Cb 0.00 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.88 3nuc n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3nuc n GLY 79 N 1.46 2.39 3.77 2.58 0.00 -1.26 -4.98 105.19 109.14 3nuc n GLY 79 Ca 0.08 -1.78 -0.40 0.00 0.00 0.00 0.00 46.02 43.92 3nuc n GLY 79 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3nuc s GLN 80 N 4.61 3.95 0.00 1.61 0.00 -1.26 -4.93 119.66 123.64 3nuc s GLN 80 Ca 0.00 2.38 0.24 0.00 -0.00 0.00 0.00 55.36 57.98 3nuc s GLN 80 Cb 0.00 -2.82 0.22 0.00 0.00 0.00 0.00 33.01 30.41 3nuc s GLN 80 CO 0.00 -0.59 1.22 0.54 0.00 0.00 0.00 175.29 176.46 3nuc n ARG 81 N 0.18 0.72 -4.00 9.60 1.74 -1.26 -4.81 116.66 118.83 3nuc n ARG 81 Ca 0.03 -0.54 -0.09 0.00 -0.77 0.00 0.00 57.85 56.48 3nuc n ARG 81 Cb 0.41 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.26 3nuc n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3nuc s THR 82 N -2.65 0.15 0.45 0.55 -4.23 -1.26 -0.49 115.64 108.16 3nuc s THR 82 Ca 0.17 -1.22 0.03 0.00 -1.18 0.00 0.00 61.69 59.49 3nuc s THR 82 Cb 0.18 -0.81 0.08 0.00 1.34 0.00 0.00 72.50 73.29 3nuc s THR 82 CO 0.63 -0.67 0.62 -0.90 -0.54 0.00 0.00 174.62 173.76 3nuc n ASP 83 N 0.93 1.21 0.31 3.99 5.68 -0.19 -4.88 116.55 123.59 3nuc n ASP 83 Ca -0.20 -1.93 0.21 0.00 -0.50 0.00 0.00 54.79 52.37 3nuc n ASP 83 Cb 0.58 -0.37 1.10 0.00 -1.14 0.00 0.00 41.12 41.28 3nuc n ASP 83 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3nuc h LYS 84 N 0.00 0.00 -0.39 0.11 2.10 -2.03 -0.51 116.57 115.85 3nuc h LYS 84 Ca -0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.44 3nuc h LYS 84 Cb 0.86 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.19 3nuc h LYS 84 CO 0.26 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.37 3nuc n TYR 85 N -2.95 0.51 -1.04 0.07 4.01 -1.26 -4.92 117.16 111.58 3nuc n TYR 85 Ca -0.03 -0.26 -0.01 0.00 -0.16 0.00 0.00 57.90 57.45 3nuc n TYR 85 Cb 0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.10 3nuc n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3nuc n GLY 86 N 1.35 0.51 3.78 2.72 0.00 -0.20 -5.03 105.19 108.32 3nuc n GLY 86 Ca 0.18 -0.50 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 3nuc n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3nuc s ARG 87 N -1.28 4.43 0.34 1.61 0.52 -1.26 -4.76 118.95 118.56 3nuc s ARG 87 Ca 0.00 0.99 -0.28 0.00 -0.52 0.00 0.00 55.73 55.92 3nuc s ARG 87 Cb 0.00 -3.29 -0.09 0.00 0.52 0.00 0.00 34.95 32.09 3nuc s ARG 87 CO 0.00 0.51 1.22 0.20 0.02 0.00 0.00 175.30 177.24 3nuc s GLY 88 N -0.81 2.97 -0.29 -3.53 0.00 0.12 -1.02 107.32 104.76 3nuc s GLY 88 Ca 0.34 1.09 -0.04 0.00 0.00 0.00 0.00 44.72 46.11 3nuc s GLY 88 CO 0.23 1.68 0.02 1.08 0.00 0.00 0.00 173.10 176.11 3nuc s LEU 89 N -1.95 3.77 0.31 0.66 1.43 0.36 -0.21 118.68 123.05 3nuc s LEU 89 Ca 0.51 -0.99 -0.12 0.00 -1.03 0.00 0.00 54.13 52.49 3nuc s LEU 89 Cb -0.35 -1.77 0.02 0.00 0.03 0.00 0.00 46.19 44.11 3nuc s LEU 89 CO 0.46 -0.22 0.60 0.00 0.23 0.00 0.00 176.35 177.41 3nuc s ALA 90 N 1.37 -0.27 -0.22 4.21 0.00 -1.15 -4.40 121.76 121.29 3nuc s ALA 90 Ca -0.01 -0.92 -0.12 0.00 0.00 0.00 0.00 51.96 50.92 3nuc s ALA 90 Cb -0.18 0.96 -0.05 0.00 0.00 0.00 0.00 23.12 23.85 3nuc s ALA 90 CO -0.00 -0.90 0.21 0.71 0.00 0.00 0.00 175.76 175.77 3nuc s TYR 91 N -3.32 3.35 -0.11 0.00 2.02 -0.28 -0.97 117.35 118.03 3nuc s TYR 91 Ca 0.21 0.34 -0.01 0.00 -0.37 0.00 0.00 57.07 57.24 3nuc s TYR 91 Cb -0.03 -2.30 -0.02 0.00 -0.40 0.00 0.00 41.96 39.21 3nuc s TYR 91 CO 0.12 0.10 -0.08 0.42 -1.57 0.00 0.00 175.55 174.54 3nuc s ILE 92 N 0.94 3.54 -0.10 2.71 -1.09 -1.26 -0.80 121.20 125.14 3nuc s ILE 92 Ca 0.10 -0.51 0.01 0.00 -2.23 0.00 0.00 60.65 58.02 3nuc s ILE 92 Cb -0.13 -2.49 -0.02 0.00 -1.58 0.00 0.00 42.46 38.23 3nuc s ILE 92 CO 0.04 0.54 -0.12 -0.31 -1.23 0.00 0.00 174.94 173.86 3nuc s TYR 93 N -0.06 2.82 -0.31 3.97 1.51 0.13 -0.66 117.35 124.74 3nuc s TYR 93 Ca -0.00 -0.37 -0.01 0.00 -1.01 0.00 0.00 57.07 55.68 3nuc s TYR 93 Cb -0.13 -1.77 0.06 0.00 -0.11 0.00 0.00 41.96 40.00 3nuc s TYR 93 CO 0.03 -0.00 0.02 0.00 -1.11 0.00 0.00 175.55 174.49 3nuc s ALA 94 N -0.13 2.84 -1.43 3.71 0.00 0.60 -1.51 121.76 125.84 3nuc s ALA 94 Ca -0.00 -1.92 -0.07 0.00 0.00 0.00 0.00 51.96 49.97 3nuc s ALA 94 Cb -0.13 -1.96 0.04 0.00 0.00 0.00 0.00 23.12 21.06 3nuc s ALA 94 CO 0.03 -1.36 0.83 -0.25 0.00 0.00 0.00 175.76 175.01 3nuc n ASP 95 N 4.57 -2.94 0.00 0.00 8.00 0.07 -0.90 116.55 125.36 3nuc n ASP 95 Ca -0.11 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.59 3nuc n ASP 95 Cb 0.43 -3.92 0.00 0.00 -0.02 0.00 0.00 41.12 37.61 3nuc n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3nuc n GLY 96 N -1.66 2.02 3.67 0.44 0.00 -1.26 -5.01 105.19 103.39 3nuc n GLY 96 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 3nuc n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3nuc s LYS 97 N -0.08 4.10 -0.23 1.61 1.02 -0.08 -5.02 119.74 121.08 3nuc s LYS 97 Ca 0.00 -0.21 -0.29 0.00 0.02 0.00 0.00 55.97 55.49 3nuc s LYS 97 Cb 0.00 -3.52 -0.02 0.00 -0.52 0.00 0.00 37.83 33.77 3nuc s LYS 97 CO 0.00 0.09 1.52 1.41 -0.92 0.00 0.00 175.35 177.45 3nuc s MET 98 N 0.96 3.87 0.25 1.68 1.75 -1.26 -0.29 119.30 126.25 3nuc s MET 98 Ca 0.09 1.59 -0.06 0.00 -1.25 0.00 0.00 55.69 56.05 3nuc s MET 98 Cb -0.13 -3.98 0.26 0.00 2.84 0.00 0.00 34.83 33.81 3nuc s MET 98 CO 0.04 -1.19 1.92 0.28 -0.65 0.00 0.00 175.02 175.41 3nuc h VAL 99 N 6.03 1.24 -0.38 10.11 2.07 -1.26 -1.32 116.25 132.75 3nuc h VAL 99 Ca -0.32 -0.45 0.07 0.00 0.82 0.00 0.00 66.70 66.82 3nuc h VAL 99 Cb 1.14 -0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 3nuc h VAL 99 CO 1.00 0.24 -0.02 0.78 0.02 0.00 0.00 177.57 179.59 3nuc h ASN 100 N 1.31 -0.20 -0.08 0.57 4.21 -1.91 -1.84 115.58 117.65 3nuc h ASN 100 Ca 0.36 0.09 -0.02 0.00 1.21 0.00 0.00 56.30 57.95 3nuc h ASN 100 Cb -0.13 0.17 -0.00 0.00 -1.12 0.00 0.00 38.32 37.24 3nuc h ASN 100 CO -0.08 -0.06 -0.03 -0.08 -1.29 0.00 0.00 177.43 175.89 3nuc h GLU 101 N 0.08 0.16 -0.75 0.81 4.22 -1.86 -2.91 114.58 114.32 3nuc h GLU 101 Ca 0.18 -0.07 0.17 0.00 0.08 0.00 0.00 59.36 59.73 3nuc h GLU 101 Cb 0.26 -0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.39 3nuc h GLU 101 CO -0.33 0.51 0.12 0.00 -2.18 0.00 0.00 179.01 177.13 3nuc h ALA 102 N 0.64 0.91 -0.40 2.92 0.00 -0.96 0.17 119.26 122.54 3nuc h ALA 102 Ca 0.02 0.20 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3nuc h ALA 102 Cb 0.46 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3nuc h ALA 102 CO 0.01 -0.38 -0.01 -0.07 0.00 0.00 0.00 179.25 178.80 3nuc h LEU 103 N 0.20 0.70 -0.48 0.00 3.38 -1.36 -2.67 115.31 115.09 3nuc h LEU 103 Ca 0.42 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 3nuc h LEU 103 Cb 0.74 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 3nuc h LEU 103 CO -0.57 0.85 0.10 0.58 0.09 0.00 0.00 178.44 179.49 3nuc h VAL 104 N 0.54 1.24 -0.20 1.22 2.07 -1.08 -0.34 116.25 119.71 3nuc h VAL 104 Ca 0.11 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 3nuc h VAL 104 Cb 0.49 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3nuc h VAL 104 CO 0.02 0.31 0.09 -0.09 0.02 0.00 0.00 177.57 177.93 3nuc h ARG 105 N 0.66 0.27 -0.01 1.57 9.65 -0.63 -1.40 114.38 124.50 3nuc h ARG 105 Ca 0.15 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.01 3nuc h ARG 105 Cb 0.35 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.87 3nuc h ARG 105 CO 0.00 0.22 -0.06 1.04 2.80 0.00 0.00 179.97 183.97 3nuc n GLN 106 N -4.46 1.20 -2.08 0.20 1.13 -1.01 -4.41 117.38 107.95 3nuc n GLN 106 Ca 0.00 -0.55 -0.07 0.00 -1.94 0.00 0.00 57.00 54.43 3nuc n GLN 106 Cb 0.11 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 28.96 3nuc n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3nuc n GLY 107 N 1.19 0.13 0.76 1.08 0.00 -0.53 -4.32 105.19 103.51 3nuc n GLY 107 Ca 0.18 -0.59 0.08 0.00 0.00 0.00 0.00 46.02 45.68 3nuc n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3nuc n LEU 108 N -1.03 2.79 -3.53 0.99 4.77 -0.16 -1.18 117.00 119.65 3nuc n LEU 108 Ca -0.09 -1.48 -0.14 0.00 -0.03 0.00 0.00 56.01 54.27 3nuc n LEU 108 Cb 0.54 -0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.43 3nuc n LEU 108 CO 0.10 0.61 0.34 0.00 -1.33 0.00 0.00 177.39 177.11 3nuc s ALA 109 N -1.16 -1.48 0.12 -1.18 0.00 -1.20 -4.40 121.76 112.46 3nuc s ALA 109 Ca 0.25 0.74 0.08 0.00 0.00 0.00 0.00 51.96 53.03 3nuc s ALA 109 Cb 0.15 0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 3nuc s ALA 109 CO 0.21 -0.52 -0.12 0.15 0.00 0.00 0.00 175.76 175.48 3nuc s LYS 110 N -2.40 2.04 0.04 0.00 1.02 -0.93 -4.51 119.74 115.00 3nuc s LYS 110 Ca -0.05 -1.09 -0.30 0.00 0.02 0.00 0.00 55.97 54.54 3nuc s LYS 110 Cb -0.01 -2.24 -0.06 0.00 -0.52 0.00 0.00 37.83 35.00 3nuc s LYS 110 CO -0.01 0.49 1.28 0.08 -0.92 0.00 0.00 175.35 176.27 3nuc s VAL 111 N -1.27 3.86 0.31 3.17 1.01 -1.26 -1.05 120.40 125.17 3nuc s VAL 111 Ca 0.21 1.30 -0.13 0.00 0.00 0.00 0.00 61.98 63.36 3nuc s VAL 111 Cb -0.11 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.46 3nuc s VAL 111 CO 0.13 0.06 0.61 0.00 0.00 0.00 0.00 175.10 175.90 3nuc s ALA 112 N 1.54 -0.36 -1.41 5.51 0.00 -0.70 -4.88 121.76 121.46 3nuc s ALA 112 Ca 0.60 -0.87 -0.04 0.00 0.00 0.00 0.00 51.96 51.66 3nuc s ALA 112 Cb -0.30 0.94 0.03 0.00 0.00 0.00 0.00 23.12 23.78 3nuc s ALA 112 CO 0.28 -0.91 0.66 0.66 0.00 0.00 0.00 175.76 176.44 3nuc n TYR 113 N -0.48 -1.88 -2.65 0.00 4.01 -1.26 -3.43 117.16 111.47 3nuc n TYR 113 Ca -0.03 0.82 -0.42 0.00 -0.16 0.00 0.00 57.90 58.11 3nuc n TYR 113 Cb 0.61 -3.99 -0.03 0.00 -0.31 0.00 0.00 39.34 35.62 3nuc n TYR 113 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3nuc s VAL 114 N -3.67 3.96 -0.25 -0.72 1.01 -1.26 -4.50 120.40 114.96 3nuc s VAL 114 Ca 0.18 -0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.05 3nuc s VAL 114 Cb -0.09 -4.87 0.01 0.00 0.00 0.00 0.00 36.38 31.43 3nuc s VAL 114 CO 0.85 -1.75 -0.02 -0.31 0.00 0.00 0.00 175.10 173.87 3nuc s TYR 115 N 5.02 3.05 0.52 5.22 2.02 -1.26 -5.07 117.35 126.84 3nuc s TYR 115 Ca 0.33 -1.22 -0.21 0.00 -0.37 0.00 0.00 57.07 55.61 3nuc s TYR 115 Cb -0.09 -2.12 -0.06 0.00 -0.40 0.00 0.00 41.96 39.29 3nuc s TYR 115 CO 0.09 -0.64 1.14 0.15 -1.57 0.00 0.00 175.55 174.72 3nuc s LYS 116 N 1.42 3.48 -0.12 -0.62 1.02 -1.26 -0.51 119.74 123.14 3nuc s LYS 116 Ca 0.03 1.67 0.08 0.00 0.02 0.00 0.00 55.97 57.77 3nuc s LYS 116 Cb -0.16 -2.14 0.45 0.00 -0.52 0.00 0.00 37.83 35.46 3nuc s LYS 116 CO -0.02 -0.76 1.19 -0.35 -0.92 0.00 0.00 175.35 174.49 3nuc n PRO 117 N -1.04 3.10 -1.79 -1.68 -0.04 -1.26 -4.98 135.00 127.31 3nuc n PRO 117 Ca 0.10 -1.72 -0.40 0.00 -0.04 0.00 0.00 63.50 61.44 3nuc n PRO 117 Cb 0.50 -1.90 -0.01 0.00 -0.04 0.00 0.00 33.50 32.05 3nuc n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3nuc n ASN 118 N 0.36 7.53 -1.05 3.54 3.02 0.34 -4.30 115.26 124.70 3nuc n ASN 118 Ca 0.15 -2.92 0.02 0.00 -0.03 0.00 0.00 54.58 51.79 3nuc n ASN 118 Cb 0.75 -1.47 0.01 0.00 -0.61 0.00 0.00 39.78 38.46 3nuc n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3nuc n ASN 119 N 3.01 0.44 -0.34 6.41 6.94 -1.26 -4.42 115.26 126.04 3nuc n ASN 119 Ca 0.64 -1.95 0.12 0.00 -0.02 0.00 0.00 54.58 53.37 3nuc n ASN 119 Cb 0.27 -0.20 0.31 0.00 -2.36 0.00 0.00 39.78 37.79 3nuc n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 3nuc h THR 120 N 6.75 0.68 -0.58 5.53 2.02 -1.97 -1.48 112.91 123.86 3nuc h THR 120 Ca -0.16 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.78 3nuc h THR 120 Cb 1.64 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 3nuc h THR 120 CO 0.03 0.13 0.00 1.41 0.37 0.00 0.00 175.52 177.46 3nuc n HIS 121 N -4.82 1.78 -0.11 3.16 8.25 -1.26 -4.65 115.22 117.57 3nuc n HIS 121 Ca 0.22 -0.70 -0.06 0.00 -0.26 0.00 0.00 57.72 56.92 3nuc n HIS 121 Cb 0.57 -0.40 0.02 0.00 1.12 0.00 0.00 29.99 31.29 3nuc n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3nuc h GLU 122 N 3.86 0.28 -0.68 -0.41 4.81 -1.64 -1.86 114.58 118.94 3nuc h GLU 122 Ca 0.00 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 3nuc h GLU 122 Cb 1.75 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 31.04 3nuc h GLU 122 CO 0.38 0.19 0.11 1.96 -0.73 0.00 0.00 179.01 180.91 3nuc h GLN 123 N 0.29 1.12 -0.07 1.92 1.08 -1.82 0.14 115.11 117.77 3nuc h GLN 123 Ca 0.17 -0.30 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 3nuc h GLN 123 Cb 0.14 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3nuc h GLN 123 CO -0.17 1.03 0.05 1.25 -0.95 0.00 0.00 178.83 180.04 3nuc h HIS 124 N 1.05 0.09 -0.49 2.96 -0.00 -1.85 -0.76 115.15 116.15 3nuc h HIS 124 Ca 0.21 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.53 3nuc h HIS 124 Cb 0.45 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.81 3nuc h HIS 124 CO 0.03 0.06 0.10 -0.07 -0.00 0.00 0.00 177.93 178.05 3nuc h LEU 125 N 0.09 0.71 -0.87 0.26 3.38 -1.19 -2.43 115.31 115.25 3nuc h LEU 125 Ca 0.03 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 3nuc h LEU 125 Cb -0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3nuc h LEU 125 CO -0.01 0.72 -0.28 0.03 0.09 0.00 0.00 178.44 178.99 3nuc h ARG 126 N 0.73 0.51 -0.36 1.13 3.08 -0.52 -0.92 114.38 118.02 3nuc h ARG 126 Ca 0.16 -0.20 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 3nuc h ARG 126 Cb 0.30 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 3nuc h ARG 126 CO 0.00 0.74 -0.16 1.57 -1.07 0.00 0.00 179.97 181.05 3nuc h LYS 127 N 0.44 0.66 -0.08 0.04 2.10 -0.70 -1.37 116.57 117.67 3nuc h LYS 127 Ca 0.06 -0.23 -0.16 0.00 -2.00 0.00 0.00 60.65 58.32 3nuc h LYS 127 Cb 0.72 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.99 3nuc h LYS 127 CO 0.06 0.79 -0.64 0.77 -2.00 0.00 0.00 179.45 178.42 3nuc h SER 128 N 0.59 0.35 -0.53 7.07 0.02 -1.05 -2.64 113.55 117.36 3nuc h SER 128 Ca 0.10 -0.21 -0.12 0.00 -0.84 0.00 0.00 61.79 60.72 3nuc h SER 128 Cb 0.61 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 3nuc h SER 128 CO 0.04 0.89 -0.14 -0.08 -1.14 0.00 0.00 176.83 176.40 3nuc h GLU 129 N 0.22 1.03 -0.73 3.45 4.81 -0.76 -1.94 114.58 120.67 3nuc h GLU 129 Ca -0.01 -0.40 -0.05 0.00 -0.13 0.00 0.00 59.36 58.76 3nuc h GLU 129 Cb 1.17 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 3nuc h GLU 129 CO 0.10 1.09 0.25 0.00 -0.73 0.00 0.00 179.01 179.72 3nuc h ALA 130 N 0.91 1.06 -0.44 2.92 0.00 -1.16 -0.05 119.26 122.50 3nuc h ALA 130 Ca 0.13 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3nuc h ALA 130 Cb 0.72 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3nuc h ALA 130 CO 0.06 0.64 -0.01 0.37 0.00 0.00 0.00 179.25 180.31 3nuc h GLN 131 N 1.07 0.77 -0.72 0.00 5.75 -1.35 0.03 115.11 120.67 3nuc h GLN 131 Ca 0.24 -0.25 -0.04 0.00 -0.15 0.00 0.00 58.65 58.45 3nuc h GLN 131 Cb 0.27 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.72 3nuc h GLN 131 CO -0.01 0.85 0.29 0.00 -2.65 0.00 0.00 178.83 177.31 3nuc h ALA 132 N 0.90 1.16 0.10 3.38 0.00 -1.09 -1.39 119.26 122.32 3nuc h ALA 132 Ca 0.12 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3nuc h ALA 132 Cb 0.50 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3nuc h ALA 132 CO 0.02 0.61 -0.05 0.87 0.00 0.00 0.00 179.25 180.70 3nuc h LYS 133 N 1.04 -0.13 0.00 0.00 1.57 -0.67 -0.33 116.57 118.04 3nuc h LYS 133 Ca 0.24 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 3nuc h LYS 133 Cb 0.18 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 3nuc h LYS 133 CO -0.02 0.14 -0.03 1.57 -0.57 0.00 0.00 179.45 180.54 3nuc h LYS 134 N -0.40 0.00 -0.05 3.15 2.10 -0.87 0.37 116.57 120.88 3nuc h LYS 134 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3nuc h LYS 134 Cb 0.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 3nuc h LYS 134 CO 0.02 0.03 0.00 0.39 -2.00 0.00 0.00 179.45 177.89 3nuc n GLU 135 N -3.32 1.89 -3.87 0.07 1.02 -0.54 -4.96 120.64 110.93 3nuc n GLU 135 Ca -0.02 -1.29 -0.26 0.00 -0.02 0.00 0.00 57.16 55.56 3nuc n GLU 135 Cb 0.16 -1.47 0.02 0.00 -0.02 0.00 0.00 31.44 30.13 3nuc n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3nuc n LYS 136 N 0.56 -4.67 -2.92 3.49 4.76 0.13 -4.93 118.16 114.58 3nuc n LYS 136 Ca 0.17 0.55 -0.40 0.00 -2.87 0.00 0.00 58.31 55.76 3nuc n LYS 136 Cb 0.43 -5.15 -0.04 0.00 -1.84 0.00 0.00 35.03 28.42 3nuc n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3nuc s LEU 137 N -6.99 4.40 0.00 -0.35 1.43 -0.25 -3.16 118.68 113.76 3nuc s LEU 137 Ca 0.29 1.45 0.00 0.00 -1.03 0.00 0.00 54.13 54.84 3nuc s LEU 137 Cb -0.15 -3.29 0.00 0.00 0.03 0.00 0.00 46.19 42.78 3nuc s LEU 137 CO 0.84 -0.09 0.00 0.59 0.23 0.00 0.00 176.35 177.92 3nuc n ASN 138 N 3.32 0.00 -0.11 2.29 3.02 -1.26 -0.30 115.26 122.22 3nuc n ASN 138 Ca 0.00 0.00 0.26 0.00 -0.03 0.00 0.00 54.58 54.81 3nuc n ASN 138 Cb 0.51 0.00 0.72 0.00 -0.61 0.00 0.00 39.78 40.39 3nuc n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3nuc h ILE 139 N 0.00 0.49 -0.37 2.41 2.04 -1.45 0.57 117.51 121.19 3nuc h ILE 139 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3nuc h ILE 139 Cb 0.00 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 3nuc h ILE 139 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 178.15 178.94 3nuc n TRP 140 N -4.08 0.47 1.92 1.37 7.02 0.59 -5.13 117.44 119.60 3nuc n TRP 140 Ca 0.16 -0.24 0.16 0.00 -1.02 0.00 0.00 57.50 56.56 3nuc n TRP 140 Cb 0.89 0.00 0.89 0.00 -2.42 0.00 0.00 31.31 30.66 3nuc n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54