#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5b n MET 7 N 0.00 0.00 0.00 5.56 1.56 -1.26 -5.14 117.12 117.84 3d5b n MET 7 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 3d5b n MET 7 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 3d5b n MET 7 CO 0.00 0.00 0.00 0.36 -0.73 0.00 0.00 175.97 175.60 3d5b n LYS 8 N 0.00 0.00 -3.64 2.12 2.85 -1.26 -5.17 118.16 113.06 3d5b n LYS 8 Ca 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.15 3d5b n LYS 8 Cb 0.00 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.33 3d5b n LYS 8 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 177.40 178.87 3d5b s TYR 9 N 0.14 -0.20 0.00 5.58 -0.85 -1.26 -5.13 117.35 115.63 3d5b s TYR 9 Ca 0.00 -0.10 0.00 0.00 -0.52 0.00 0.00 57.07 56.45 3d5b s TYR 9 Cb 0.00 0.25 0.00 0.00 0.38 0.00 0.00 41.96 42.59 3d5b s TYR 9 CO 0.00 -0.69 0.09 0.54 -1.52 0.00 0.00 175.55 173.97 3d5b n ARG 10 N -0.17 0.00 -3.54 -3.49 5.12 -1.26 -4.81 116.66 108.51 3d5b n ARG 10 Ca -0.16 0.09 -0.22 0.00 -1.93 0.00 0.00 57.85 55.62 3d5b n ARG 10 Cb 0.63 -0.29 -0.01 0.00 -1.16 0.00 0.00 32.46 31.64 3d5b n ARG 10 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3d5b s LYS 11 N -0.43 2.42 0.18 5.56 1.02 -1.26 -4.84 119.74 122.39 3d5b s LYS 11 Ca 0.00 -1.69 -0.16 0.00 0.02 0.00 0.00 55.97 54.14 3d5b s LYS 11 Cb 0.00 -2.36 0.02 0.00 -0.52 0.00 0.00 37.83 34.98 3d5b s LYS 11 CO 0.00 -0.44 0.46 -0.65 -0.92 0.00 0.00 175.35 173.80 3d5b s GLN 12 N -4.28 1.29 1.23 1.68 -0.21 -1.26 -4.98 119.66 113.14 3d5b s GLN 12 Ca 0.47 -0.88 -0.21 0.00 0.02 0.00 0.00 55.36 54.75 3d5b s GLN 12 Cb -0.04 0.49 0.31 0.00 1.00 0.00 0.00 33.01 34.77 3d5b s GLN 12 CO 0.28 -0.53 1.02 0.94 -2.12 0.00 0.00 175.29 174.88 3d5b n GLN 13 N -0.30 -3.39 -0.05 2.91 -0.06 -1.26 -4.91 117.38 110.33 3d5b n GLN 13 Ca -0.11 -1.65 -0.03 0.00 -2.00 0.00 0.00 57.00 53.21 3d5b n GLN 13 Cb 0.63 -1.63 -0.01 0.00 -4.06 0.00 0.00 30.24 25.16 3d5b n GLN 13 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3d5b h ARG 14 N 0.00 0.00 -3.34 3.69 -0.00 -2.02 -3.49 114.38 109.22 3d5b h ARG 14 Ca -0.40 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.08 3d5b h ARG 14 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.20 3d5b h ARG 14 CO 0.26 0.00 -0.71 0.41 0.00 0.00 0.00 179.97 179.92 3d5b n GLY 15 N 1.67 -4.84 3.61 0.04 0.00 -1.26 -4.98 105.19 99.43 3d5b n GLY 15 Ca -0.05 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 3d5b n GLY 15 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3d5b s ARG 16 N -1.70 -0.30 -0.78 1.61 3.52 -1.26 -5.00 118.95 115.04 3d5b s ARG 16 Ca 0.00 0.44 0.02 0.00 -0.13 0.00 0.00 55.73 56.06 3d5b s ARG 16 Cb 0.00 -1.66 0.19 0.00 -1.56 0.00 0.00 34.95 31.92 3d5b s ARG 16 CO 0.00 -3.21 0.62 -0.51 -0.81 0.00 0.00 175.30 171.39 3d5b s LEU 17 N -6.76 5.16 0.00 -0.88 1.43 -1.26 -5.08 118.68 111.30 3d5b s LEU 17 Ca 0.67 -3.74 0.00 0.00 -1.03 0.00 0.00 54.13 50.03 3d5b s LEU 17 Cb -0.18 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.27 3d5b s LEU 17 CO 0.59 -0.14 0.00 0.29 0.23 0.00 0.00 176.35 177.32 3d5b n LYS 18 N 2.22 1.62 -1.27 1.70 5.02 -1.26 -4.91 118.16 121.28 3d5b n LYS 18 Ca 0.20 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.12 3d5b n LYS 18 Cb 0.36 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.42 3d5b n LYS 18 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d5b n GLY 19 N 0.71 -2.09 1.58 0.72 0.00 -1.26 -4.77 105.19 100.08 3d5b n GLY 19 Ca 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 46.02 45.67 3d5b n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d5b n ALA 20 N -2.11 3.89 -1.00 4.61 0.00 -1.26 -4.77 120.51 119.86 3d5b n ALA 20 Ca 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3d5b n ALA 20 Cb 0.49 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3d5b n ALA 20 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3d5b n THR 21 N 1.61 0.00 0.26 0.00 -2.24 -1.26 -4.06 114.28 108.60 3d5b n THR 21 Ca 0.02 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.90 3d5b n THR 21 Cb 0.48 -0.15 0.50 0.00 -2.10 0.00 0.00 70.33 69.05 3d5b n THR 21 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3d5b h LYS 22 N 0.00 0.00 -5.30 -0.78 1.79 -1.96 -3.15 116.57 107.17 3d5b h LYS 22 Ca 0.00 0.00 -0.44 0.00 -2.18 0.00 0.00 60.65 58.03 3d5b h LYS 22 Cb 0.00 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 3d5b h LYS 22 CO 0.00 0.00 1.47 0.41 -1.08 0.00 0.00 179.45 180.25 3d5b n GLY 23 N -1.28 1.55 0.00 3.86 0.00 -1.26 -4.62 105.19 103.44 3d5b n GLY 23 Ca -0.01 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.11 3d5b n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d5b n GLY 24 N 5.47 3.77 0.00 -0.02 0.00 -1.19 -3.29 105.19 109.93 3d5b n GLY 24 Ca 0.46 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3d5b n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3d5b n ASP 25 N 0.00 0.00 -3.59 1.61 8.00 -1.14 -4.82 116.55 116.61 3d5b n ASP 25 Ca 0.00 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.44 3d5b n ASP 25 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 3d5b n ASP 25 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3d5b s TYR 26 N 2.74 -0.23 -0.78 1.24 -0.85 -1.26 -5.00 117.35 113.22 3d5b s TYR 26 Ca 0.00 0.07 -0.26 0.00 -0.52 0.00 0.00 57.07 56.36 3d5b s TYR 26 Cb 0.00 0.56 0.02 0.00 0.38 0.00 0.00 41.96 42.92 3d5b s TYR 26 CO 0.00 -0.54 1.47 0.08 -1.52 0.00 0.00 175.55 175.04 3d5b s VAL 27 N -2.98 3.66 -0.06 -3.49 1.01 -1.26 -4.81 120.40 112.47 3d5b s VAL 27 Ca 0.08 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.14 3d5b s VAL 27 Cb -0.01 -4.69 -0.27 0.00 0.00 0.00 0.00 36.38 31.42 3d5b s VAL 27 CO -0.05 -1.62 0.59 0.00 0.00 0.00 0.00 175.10 174.02 3d5b h ALA 28 N 11.06 0.42 -1.11 5.51 0.00 -1.98 -3.48 119.26 129.68 3d5b h ALA 28 Ca -0.16 -1.30 -0.62 0.00 0.00 0.00 0.00 54.91 52.83 3d5b h ALA 28 Cb 1.06 0.52 -0.13 0.00 0.00 0.00 0.00 17.79 19.24 3d5b h ALA 28 CO 1.29 1.28 -0.54 -0.06 0.00 0.00 0.00 179.25 181.22 3d5b s PHE 29 N -2.58 1.97 0.00 0.00 0.40 -1.26 -5.09 117.98 111.42 3d5b s PHE 29 Ca -0.15 -0.99 0.00 0.00 -0.60 0.00 0.00 56.93 55.19 3d5b s PHE 29 Cb 0.07 -1.48 0.00 0.00 0.51 0.00 0.00 43.02 42.11 3d5b s PHE 29 CO 0.81 0.11 0.00 0.41 0.70 0.00 0.00 175.22 177.25 3d5b n GLY 30 N -1.05 0.70 1.03 4.36 0.00 -1.26 -4.76 105.19 104.19 3d5b n GLY 30 Ca -0.11 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.08 3d5b n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3d5b n ASP 31 N -2.58 0.22 -4.89 1.61 8.00 0.50 -4.94 116.55 114.47 3d5b n ASP 31 Ca 0.00 0.03 -0.20 0.00 0.71 0.00 0.00 54.79 55.33 3d5b n ASP 31 Cb 0.00 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.01 3d5b n ASP 31 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3d5b s PHE 32 N -2.00 2.90 0.12 1.24 0.40 -1.19 -3.93 117.98 115.52 3d5b s PHE 32 Ca 0.00 -0.33 -0.10 0.00 -0.60 0.00 0.00 56.93 55.90 3d5b s PHE 32 Cb 0.00 -1.95 0.00 0.00 0.51 0.00 0.00 43.02 41.59 3d5b s PHE 32 CO 0.00 0.05 0.27 0.20 0.70 0.00 0.00 175.22 176.43 3d5b s GLY 33 N -4.08 0.17 -0.15 4.36 0.00 -0.63 -2.96 107.32 104.03 3d5b s GLY 33 Ca 0.44 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.55 3d5b s GLY 33 CO 0.28 -0.72 -0.14 -2.27 0.00 0.00 0.00 173.10 170.25 3d5b s LEU 34 N -2.89 1.68 0.08 0.66 2.96 -0.34 -2.27 118.68 118.56 3d5b s LEU 34 Ca 0.09 -0.48 0.07 0.00 -0.22 0.00 0.00 54.13 53.59 3d5b s LEU 34 Cb 0.04 -1.18 -0.04 0.00 0.50 0.00 0.00 46.19 45.51 3d5b s LEU 34 CO -0.07 -0.06 -0.14 0.54 -1.32 0.00 0.00 176.35 175.31 3d5b s VAL 35 N 1.48 3.12 0.25 1.68 0.11 -0.87 -1.47 120.40 124.72 3d5b s VAL 35 Ca 0.05 -1.26 -0.11 0.00 -2.93 0.00 0.00 61.98 57.73 3d5b s VAL 35 Cb -0.13 -2.41 -0.08 0.00 -1.53 0.00 0.00 36.38 32.23 3d5b s VAL 35 CO -0.11 0.19 0.60 0.00 -3.33 0.00 0.00 175.10 172.45 3d5b s ALA 36 N -1.11 3.50 -0.09 1.54 0.00 -1.07 -1.87 121.76 122.67 3d5b s ALA 36 Ca 0.18 -0.19 0.08 0.00 0.00 0.00 0.00 51.96 52.04 3d5b s ALA 36 Cb -0.11 -2.52 -0.12 0.00 0.00 0.00 0.00 23.12 20.37 3d5b s ALA 36 CO 0.10 0.46 0.04 1.28 0.00 0.00 0.00 175.76 177.65 3d5b n LEU 37 N -0.18 0.00 -4.54 0.00 4.77 -0.66 -0.84 117.00 115.55 3d5b n LEU 37 Ca 0.01 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.74 3d5b n LEU 37 Cb 0.53 0.22 -0.09 0.00 -2.33 0.00 0.00 43.42 41.74 3d5b n LEU 37 CO 0.44 0.22 -0.43 -1.61 -1.33 0.00 0.00 177.39 174.68 3d5b s GLU 38 N -2.25 1.92 -0.08 3.23 2.02 -1.25 -4.55 118.70 117.73 3d5b s GLU 38 Ca -0.05 -1.48 -0.14 0.00 0.02 0.00 0.00 54.97 53.33 3d5b s GLU 38 Cb 0.03 -2.00 -0.05 0.00 0.10 0.00 0.00 34.13 32.21 3d5b s GLU 38 CO 0.38 0.38 0.34 -1.25 0.02 0.00 0.00 175.26 175.13 3d5b s PRO 39 N -3.19 4.00 0.04 0.39 0.04 -1.26 -3.97 135.00 131.05 3d5b s PRO 39 Ca 0.27 0.23 -0.28 0.00 0.04 0.00 0.00 61.00 61.26 3d5b s PRO 39 Cb -0.07 -3.30 0.10 0.00 0.04 0.00 0.00 34.50 31.27 3d5b s PRO 39 CO 0.15 0.50 1.19 0.00 0.04 0.00 0.00 177.00 178.89 3d5b s ALA 40 N -0.40 -2.07 -0.12 8.56 0.00 0.33 -4.99 121.76 123.07 3d5b s ALA 40 Ca 0.20 0.37 -0.24 0.00 0.00 0.00 0.00 51.96 52.29 3d5b s ALA 40 Cb -0.15 0.53 -0.02 0.00 0.00 0.00 0.00 23.12 23.48 3d5b s ALA 40 CO 0.08 -1.07 0.77 -1.58 0.00 0.00 0.00 175.76 173.97 3d5b s TRP 41 N -2.53 3.49 -0.18 0.00 0.51 -1.26 -2.32 118.94 116.64 3d5b s TRP 41 Ca 0.17 1.24 -0.14 0.00 -2.12 0.00 0.00 56.10 55.25 3d5b s TRP 41 Cb 0.02 -2.92 -0.05 0.00 -0.81 0.00 0.00 33.47 29.72 3d5b s TRP 41 CO -0.01 -0.10 0.30 0.42 -0.51 0.00 0.00 176.95 177.05 3d5b s ILE 42 N 1.56 5.29 0.40 2.03 1.09 -1.11 -4.86 121.20 125.60 3d5b s ILE 42 Ca 0.38 0.53 -0.13 0.00 -1.10 0.00 0.00 60.65 60.33 3d5b s ILE 42 Cb -0.17 -3.64 -0.07 0.00 -1.06 0.00 0.00 42.46 37.52 3d5b s ILE 42 CO 0.15 0.35 0.79 0.42 -0.10 0.00 0.00 174.94 176.56 3d5b s THR 43 N 0.74 4.71 0.20 2.92 -4.23 -1.26 -2.14 115.64 116.58 3d5b s THR 43 Ca 0.16 0.81 -0.11 0.00 -1.18 0.00 0.00 61.69 61.37 3d5b s THR 43 Cb -0.13 -3.69 0.12 0.00 1.34 0.00 0.00 72.50 70.13 3d5b s THR 43 CO 0.05 -0.45 1.76 0.00 -0.54 0.00 0.00 174.62 175.44 3d5b h ALA 44 N 1.50 0.74 -0.31 3.99 0.00 -1.80 0.23 119.26 123.61 3d5b h ALA 44 Ca -0.47 0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.58 3d5b h ALA 44 Cb 1.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3d5b h ALA 44 CO 0.64 -0.14 0.23 -0.56 0.00 0.00 0.00 179.25 179.41 3d5b h GLN 45 N 0.45 0.00 -0.11 0.00 -0.00 -1.90 -1.77 115.11 111.79 3d5b h GLN 45 Ca 0.28 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.80 3d5b h GLN 45 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.76 3d5b h GLN 45 CO -0.25 0.00 -0.42 1.96 -0.00 0.00 0.00 178.83 180.13 3d5b h GLN 46 N 0.00 0.47 0.43 0.06 4.20 -0.91 -0.66 115.11 118.70 3d5b h GLN 46 Ca 0.15 -0.37 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 3d5b h GLN 46 Cb 0.60 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 3d5b h GLN 46 CO -0.00 0.99 -0.48 0.82 -0.67 0.00 0.00 178.83 179.49 3d5b h ILE 47 N 0.06 0.00 -0.45 2.54 5.03 -0.44 -1.38 117.51 122.88 3d5b h ILE 47 Ca -0.02 0.00 0.07 0.00 -0.12 0.00 0.00 64.86 64.79 3d5b h ILE 47 Cb 1.05 0.00 -0.06 0.00 -3.03 0.00 0.00 36.82 34.79 3d5b h ILE 47 CO 0.09 0.00 0.11 -0.08 -0.68 0.00 0.00 178.15 177.59 3d5b h GLU 48 N -0.92 0.25 -0.60 2.37 4.57 -1.49 0.28 114.58 119.04 3d5b h GLU 48 Ca -0.05 -0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.24 3d5b h GLU 48 Cb 0.81 -0.06 -0.11 0.00 -0.16 0.00 0.00 28.75 29.24 3d5b h GLU 48 CO -0.09 0.16 -0.04 0.00 -1.18 0.00 0.00 179.01 177.87 3d5b h ALA 49 N 1.33 0.54 -0.20 2.92 0.00 -0.85 0.75 119.26 123.75 3d5b h ALA 49 Ca 0.22 0.20 -0.17 0.00 0.00 0.00 0.00 54.91 55.16 3d5b h ALA 49 Cb 0.26 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3d5b h ALA 49 CO -0.27 -0.41 -0.57 0.00 0.00 0.00 0.00 179.25 178.01 3d5b h ALA 50 N 1.56 0.64 0.13 0.00 0.00 -0.68 -1.81 119.26 119.11 3d5b h ALA 50 Ca 0.31 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3d5b h ALA 50 Cb 0.49 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3d5b h ALA 50 CO -0.54 0.69 -0.09 -0.09 0.00 0.00 0.00 179.25 179.22 3d5b h ARG 51 N 0.46 -0.20 -0.65 0.00 2.43 0.23 0.80 114.38 117.46 3d5b h ARG 51 Ca 0.01 0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.32 3d5b h ARG 51 Cb 1.13 0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 30.62 3d5b h ARG 51 CO 0.11 -0.14 0.08 -0.24 -1.51 0.00 0.00 179.97 178.28 3d5b h VAL 52 N -0.21 0.53 -0.39 0.20 3.04 0.27 -0.46 116.25 119.23 3d5b h VAL 52 Ca -0.02 -0.07 0.07 0.00 -1.01 0.00 0.00 66.70 65.67 3d5b h VAL 52 Cb 0.17 0.32 -0.06 0.00 -2.01 0.00 0.00 31.29 29.71 3d5b h VAL 52 CO 0.01 0.04 0.04 0.00 -1.01 0.00 0.00 177.57 176.65 3d5b h ALA 53 N 1.56 0.39 0.06 3.17 0.00 -1.24 0.44 119.26 123.64 3d5b h ALA 53 Ca 0.35 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.35 3d5b h ALA 53 Cb 0.56 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3d5b h ALA 53 CO -0.49 -0.36 -0.03 1.98 0.00 0.00 0.00 179.25 180.34 3d5b h MET 54 N 0.15 -0.09 -0.56 0.00 -1.53 0.63 -1.79 114.93 111.74 3d5b h MET 54 Ca 0.19 0.01 0.09 0.00 -3.44 0.00 0.00 59.70 56.55 3d5b h MET 54 Cb 0.26 0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 31.29 3d5b h MET 54 CO -0.29 -0.06 0.38 -0.39 0.14 0.00 0.00 176.91 176.69 3d5b h VAL 55 N -0.09 0.91 -0.18 -5.77 -1.51 -1.04 -0.64 116.25 107.93 3d5b h VAL 55 Ca -0.01 -0.14 -0.14 0.00 -1.23 0.00 0.00 66.70 65.18 3d5b h VAL 55 Cb 0.07 0.48 -0.01 0.00 -2.13 0.00 0.00 31.29 29.70 3d5b h VAL 55 CO 0.01 0.07 -0.48 -0.09 -1.23 0.00 0.00 177.57 175.86 3d5b h ARG 56 N 0.40 0.48 0.00 5.19 2.43 -0.10 -3.31 114.38 119.47 3d5b h ARG 56 Ca 0.26 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3d5b h ARG 56 Cb 0.48 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3d5b h ARG 56 CO -0.07 0.85 0.00 1.58 -1.51 0.00 0.00 179.97 180.82 3d5b n HIS 57 N -3.99 0.00 -2.94 2.20 -0.00 -0.25 -3.67 115.22 106.57 3d5b n HIS 57 Ca -0.02 0.00 -0.44 0.00 0.46 0.00 0.00 57.72 57.72 3d5b n HIS 57 Cb 0.55 -0.44 -0.01 0.00 -0.12 0.00 0.00 29.99 29.97 3d5b n HIS 57 CO 0.00 0.00 0.00 -0.59 0.46 0.00 0.00 176.34 176.21 3d5b s PHE 58 N -2.76 3.39 0.31 1.57 -0.12 -1.21 -5.01 117.98 114.14 3d5b s PHE 58 Ca 0.00 -1.91 -0.26 0.00 -0.05 0.00 0.00 56.93 54.71 3d5b s PHE 58 Cb 0.00 -4.30 -0.15 0.00 -0.63 0.00 0.00 43.02 37.94 3d5b s PHE 58 CO 0.00 -1.42 0.64 2.89 -0.05 0.00 0.00 175.22 177.27 3d5b n ARG 59 N 5.91 0.56 -3.69 1.99 1.85 -1.24 -1.47 116.66 120.56 3d5b n ARG 59 Ca 0.33 0.20 -0.22 0.00 -1.00 0.00 0.00 57.85 57.16 3d5b n ARG 59 Cb 0.45 -1.39 0.03 0.00 -1.05 0.00 0.00 32.46 30.50 3d5b n ARG 59 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3d5b n ARG 60 N 0.83 -4.49 -1.67 2.89 3.00 -1.26 -4.97 116.66 110.99 3d5b n ARG 60 Ca 0.13 0.61 -0.30 0.00 -0.01 0.00 0.00 57.85 58.28 3d5b n ARG 60 Cb 0.32 -5.11 0.07 0.00 0.00 0.00 0.00 32.46 27.75 3d5b n ARG 60 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 3d5b s GLY 61 N -4.27 1.63 0.00 -0.13 0.00 -0.54 -5.07 107.32 98.93 3d5b s GLY 61 Ca 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.55 3d5b s GLY 61 CO 0.82 0.17 0.00 0.61 0.00 0.00 0.00 173.10 174.70 3d5b n GLY 62 N -2.40 -1.76 3.13 0.20 0.00 -1.26 -4.97 105.19 98.13 3d5b n GLY 62 Ca 0.07 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 3d5b n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d5b s LYS 63 N 0.00 2.97 -0.32 1.61 2.47 -1.23 -5.03 119.74 120.21 3d5b s LYS 63 Ca 0.00 -0.83 -0.09 0.00 -1.56 0.00 0.00 55.97 53.49 3d5b s LYS 63 Cb 0.00 -2.50 0.00 0.00 -1.46 0.00 0.00 37.83 33.87 3d5b s LYS 63 CO 0.00 -0.14 0.15 0.42 0.16 0.00 0.00 175.35 175.94 3d5b s ILE 64 N 1.13 4.44 -0.19 5.43 1.01 -1.26 -2.67 121.20 129.09 3d5b s ILE 64 Ca 0.01 -0.59 -0.19 0.00 0.00 0.00 0.00 60.65 59.88 3d5b s ILE 64 Cb -0.14 -3.32 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 3d5b s ILE 64 CO -0.09 -0.00 0.53 -0.36 0.00 0.00 0.00 174.94 175.02 3d5b s PHE 65 N 1.57 3.39 -0.75 3.97 0.08 -0.10 -4.97 117.98 121.17 3d5b s PHE 65 Ca 0.03 0.80 -0.03 0.00 0.12 0.00 0.00 56.93 57.86 3d5b s PHE 65 Cb -0.18 -2.68 0.19 0.00 -0.57 0.00 0.00 43.02 39.79 3d5b s PHE 65 CO 0.05 -0.08 0.61 0.96 -0.10 0.00 0.00 175.22 176.66 3d5b s ILE 66 N 1.57 4.11 0.10 0.64 -4.36 -1.26 -1.60 121.20 120.40 3d5b s ILE 66 Ca 0.25 -3.33 -0.22 0.00 -0.26 0.00 0.00 60.65 57.09 3d5b s ILE 66 Cb -0.15 -3.61 -0.12 0.00 1.25 0.00 0.00 42.46 39.83 3d5b s ILE 66 CO 0.10 -0.98 1.75 0.03 0.24 0.00 0.00 174.94 176.08 3d5b h ARG 67 N 6.63 0.07 -7.18 0.37 3.08 -1.57 -3.44 114.38 112.34 3d5b h ARG 67 Ca 0.07 -0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.66 3d5b h ARG 67 Cb 0.90 -0.02 0.21 0.00 0.08 0.00 0.00 29.97 31.14 3d5b h ARG 67 CO 0.77 0.05 0.05 0.96 -1.07 0.00 0.00 179.97 180.73 3d5b s ILE 68 N -6.19 2.04 -0.30 2.04 -4.36 -1.25 -5.06 121.20 108.13 3d5b s ILE 68 Ca -0.13 0.01 -0.12 0.00 -0.26 0.00 0.00 60.65 60.15 3d5b s ILE 68 Cb 0.07 -2.09 0.16 0.00 1.25 0.00 0.00 42.46 41.85 3d5b s ILE 68 CO 0.67 -0.02 0.90 0.12 0.24 0.00 0.00 174.94 176.85 3d5b s PHE 69 N -2.52 -0.87 0.43 1.37 5.36 -1.26 -5.12 117.98 115.37 3d5b s PHE 69 Ca 0.68 1.33 -0.24 0.00 -0.96 0.00 0.00 56.93 57.73 3d5b s PHE 69 Cb -0.24 0.46 -0.08 0.00 -0.34 0.00 0.00 43.02 42.81 3d5b s PHE 69 CO 0.63 -0.45 1.20 -1.25 -1.46 0.00 0.00 175.22 173.90 3d5b s PRO 70 N 2.65 3.88 0.00 10.12 0.04 -1.26 -4.72 135.00 145.71 3d5b s PRO 70 Ca -0.00 1.90 0.00 0.00 0.04 0.00 0.00 61.00 62.94 3d5b s PRO 70 Cb -0.09 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.88 3d5b s PRO 70 CO -0.17 -0.49 0.00 -0.40 0.04 0.00 0.00 177.00 175.98 3d5b n ASP 71 N -0.18 0.00 -4.39 6.66 5.75 -0.39 -4.84 116.55 119.17 3d5b n ASP 71 Ca 0.06 -0.89 -0.45 0.00 -0.01 0.00 0.00 54.79 53.50 3d5b n ASP 71 Cb 0.46 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.49 3d5b n ASP 71 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3d5b s LYS 72 N 0.00 3.01 -0.59 0.11 2.20 -0.73 -4.90 119.74 118.85 3d5b s LYS 72 Ca 0.00 -1.32 -0.30 0.00 -0.36 0.00 0.00 55.97 53.99 3d5b s LYS 72 Cb 0.00 -4.16 -0.12 0.00 -1.51 0.00 0.00 37.83 32.04 3d5b s LYS 72 CO 0.00 -1.13 2.43 -2.30 -0.36 0.00 0.00 175.35 173.98 3d5b n PRO 73 N 5.44 0.78 -2.12 4.03 -0.02 -1.26 -1.76 135.00 140.08 3d5b n PRO 73 Ca -0.11 0.09 -0.43 0.00 -2.02 0.00 0.00 63.50 61.03 3d5b n PRO 73 Cb 0.43 -2.61 -0.02 0.00 -0.02 0.00 0.00 33.50 31.27 3d5b n PRO 73 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3d5b s TYR 74 N 9.85 2.07 0.51 6.00 5.04 0.12 -4.52 117.35 136.43 3d5b s TYR 74 Ca 1.12 0.60 -0.07 0.00 -2.44 0.00 0.00 57.07 56.28 3d5b s TYR 74 Cb -0.68 -4.09 -0.04 0.00 0.35 0.00 0.00 41.96 37.50 3d5b s TYR 74 CO 0.39 -2.74 0.85 0.95 -1.34 0.00 0.00 175.55 173.66 3d5b s THR 75 N 5.79 4.84 -0.30 4.34 -4.23 -1.26 0.67 115.64 125.49 3d5b s THR 75 Ca 0.72 0.43 -0.28 0.00 -1.18 0.00 0.00 61.69 61.38 3d5b s THR 75 Cb -0.22 -3.85 0.20 0.00 1.34 0.00 0.00 72.50 69.97 3d5b s THR 75 CO 0.31 -0.89 1.41 -0.75 -0.54 0.00 0.00 174.62 174.17 3d5b s LYS 76 N -4.74 0.02 0.06 3.99 2.47 -1.26 -4.76 119.74 115.52 3d5b s LYS 76 Ca 0.50 0.01 0.05 0.00 -1.56 0.00 0.00 55.97 54.96 3d5b s LYS 76 Cb -0.10 0.01 -0.04 0.00 -1.46 0.00 0.00 37.83 36.24 3d5b s LYS 76 CO 0.45 -0.00 -0.06 0.15 0.16 0.00 0.00 175.35 176.05 3d5b s LYS 77 N -0.76 2.42 -1.27 4.03 1.02 -1.26 -1.59 119.74 122.33 3d5b s LYS 77 Ca 0.09 -0.85 -0.06 0.00 0.02 0.00 0.00 55.97 55.16 3d5b s LYS 77 Cb -0.02 -2.45 0.05 0.00 -0.52 0.00 0.00 37.83 34.89 3d5b s LYS 77 CO -0.11 0.55 2.61 -2.30 -0.92 0.00 0.00 175.35 175.18 3d5b n PRO 78 N 0.97 4.10 -2.25 -1.68 -0.02 -1.26 -4.72 135.00 130.14 3d5b n PRO 78 Ca -0.13 -2.97 -0.09 0.00 -2.02 0.00 0.00 63.50 58.29 3d5b n PRO 78 Cb 0.52 -2.61 -0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3d5b n PRO 78 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3d5b n LEU 79 N 2.12 -1.52 0.00 2.45 4.32 -1.26 -5.00 117.00 118.11 3d5b n LEU 79 Ca 0.65 -0.03 0.00 0.00 -0.02 0.00 0.00 56.01 56.61 3d5b n LEU 79 Cb 0.29 -1.56 0.00 0.00 -1.62 0.00 0.00 43.42 40.54 3d5b n LEU 79 CO 0.68 -0.06 0.00 -0.62 -1.22 0.00 0.00 177.39 176.17 3d5b n GLU 80 N -1.92 0.00 0.00 3.23 4.71 -1.26 -5.18 120.64 120.22 3d5b n GLU 80 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.05 3d5b n GLU 80 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.01 3d5b n GLU 80 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3d5b n VAL 81 N 0.00 0.00 -3.02 2.62 0.31 -1.26 -5.10 118.33 111.88 3d5b n VAL 81 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.13 3d5b n VAL 81 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 3d5b n VAL 81 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3d5b n ARG 82 N 0.00 1.78 -3.24 5.55 5.12 -1.26 -5.00 116.66 119.61 3d5b n ARG 82 Ca 0.00 -3.86 -0.45 0.00 -1.93 0.00 0.00 57.85 51.61 3d5b n ARG 82 Cb 0.00 -1.84 -0.00 0.00 -1.16 0.00 0.00 32.46 29.45 3d5b n ARG 82 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3d5b s MET 83 N -2.86 4.09 2.20 5.56 0.23 -1.26 -4.98 119.30 122.27 3d5b s MET 83 Ca 0.42 -2.94 0.00 0.00 -1.03 0.00 0.00 55.69 52.13 3d5b s MET 83 Cb 0.34 -4.66 0.00 0.00 -1.53 0.00 0.00 34.83 28.98 3d5b s MET 83 CO -0.09 -1.38 0.00 0.41 -2.03 0.00 0.00 175.02 171.93 3d5b n GLY 84 N 3.25 -1.09 3.89 3.16 0.00 -1.26 -4.92 105.19 108.22 3d5b n GLY 84 Ca 0.25 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 3d5b n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d5b s LYS 85 N 0.00 3.70 0.72 1.61 2.47 -1.26 -5.05 119.74 121.93 3d5b s LYS 85 Ca 0.00 0.11 -0.16 0.00 -1.56 0.00 0.00 55.97 54.36 3d5b s LYS 85 Cb 0.00 -2.66 0.03 0.00 -1.46 0.00 0.00 37.83 33.74 3d5b s LYS 85 CO 0.00 0.28 1.25 0.41 0.16 0.00 0.00 175.35 177.45 3d5b n GLY 86 N -0.52 0.30 0.22 5.54 0.00 -1.26 -4.94 105.19 104.53 3d5b n GLY 86 Ca -0.01 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 3d5b n GLY 86 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3d5b h LYS 87 N -0.12 0.67 0.00 1.61 1.63 -1.93 -3.44 116.57 114.98 3d5b h LYS 87 Ca -0.49 -0.43 0.00 0.00 -0.85 0.00 0.00 60.65 58.88 3d5b h LYS 87 Cb 1.32 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 33.01 3d5b h LYS 87 CO 0.50 1.05 0.00 0.41 -3.45 0.00 0.00 179.45 177.96 3d5b n GLY 88 N 0.32 0.27 3.65 5.01 0.00 -0.62 -4.80 105.19 109.02 3d5b n GLY 88 Ca -0.04 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.09 3d5b n GLY 88 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3d5b n ASN 89 N -2.94 0.00 0.14 1.61 5.03 0.21 -4.68 115.26 114.63 3d5b n ASN 89 Ca 0.00 0.00 -0.16 0.00 0.87 0.00 0.00 54.58 55.29 3d5b n ASN 89 Cb 0.00 -0.40 -0.09 0.00 -1.02 0.00 0.00 39.78 38.27 3d5b n ASN 89 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 3d5b h VAL 90 N 0.00 0.00 0.00 2.41 2.07 -1.89 -1.79 116.25 117.05 3d5b h VAL 90 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3d5b h VAL 90 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 3d5b h VAL 90 CO 0.00 0.00 -0.11 -0.33 0.02 0.00 0.00 177.57 177.15 3d5b h GLU 91 N -0.77 0.00 0.00 1.57 4.39 -1.89 -3.49 114.58 114.39 3d5b h GLU 91 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3d5b h GLU 91 Cb 0.74 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 3d5b h GLU 91 CO -0.23 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.03 3d5b n GLY 92 N 1.28 0.95 3.27 -3.84 0.00 -0.68 -4.67 105.19 101.50 3d5b n GLY 92 Ca 0.05 -1.01 -0.16 0.00 0.00 0.00 0.00 46.02 44.89 3d5b n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3d5b s TYR 93 N 0.00 1.46 0.34 1.61 1.51 -1.26 -0.70 117.35 120.31 3d5b s TYR 93 Ca 0.00 -1.43 -0.03 0.00 -1.01 0.00 0.00 57.07 54.59 3d5b s TYR 93 Cb 0.00 -0.71 0.00 0.00 -0.11 0.00 0.00 41.96 41.15 3d5b s TYR 93 CO 0.00 -0.64 0.48 0.14 -1.11 0.00 0.00 175.55 174.42 3d5b s VAL 94 N -3.80 0.00 0.01 0.71 -7.23 -0.73 -2.91 120.40 106.46 3d5b s VAL 94 Ca 0.38 -1.57 0.05 0.00 -1.81 0.00 0.00 61.98 59.03 3d5b s VAL 94 Cb 0.05 -2.63 -0.02 0.00 0.56 0.00 0.00 36.38 34.35 3d5b s VAL 94 CO 0.17 0.00 -0.15 0.00 -0.31 0.00 0.00 175.10 174.82 3d5b s ALA 95 N -3.08 1.23 -0.85 1.32 0.00 -0.91 -1.26 121.76 118.21 3d5b s ALA 95 Ca 0.30 -0.74 -0.25 0.00 0.00 0.00 0.00 51.96 51.26 3d5b s ALA 95 Cb -0.01 -0.26 -0.07 0.00 0.00 0.00 0.00 23.12 22.79 3d5b s ALA 95 CO 0.19 0.27 2.05 0.08 0.00 0.00 0.00 175.76 178.36 3d5b s VAL 96 N -0.59 3.34 -0.45 0.00 1.01 -1.26 -2.77 120.40 119.67 3d5b s VAL 96 Ca 0.04 -0.24 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 3d5b s VAL 96 Cb -0.07 -3.76 0.10 0.00 0.00 0.00 0.00 36.38 32.65 3d5b s VAL 96 CO 0.00 -0.72 0.32 -0.69 0.00 0.00 0.00 175.10 174.01 3d5b s VAL 97 N 11.08 4.27 0.13 2.92 1.01 -0.98 -4.88 120.40 133.95 3d5b s VAL 97 Ca 0.75 -1.61 0.08 0.00 0.00 0.00 0.00 61.98 61.20 3d5b s VAL 97 Cb -0.09 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 3d5b s VAL 97 CO 0.03 -0.67 -0.11 -1.59 0.00 0.00 0.00 175.10 172.76 3d5b s LYS 98 N 1.40 2.06 0.11 2.72 -2.85 -1.26 -0.51 119.74 121.40 3d5b s LYS 98 Ca 0.05 -1.12 -0.34 0.00 -1.00 0.00 0.00 55.97 53.55 3d5b s LYS 98 Cb -0.25 -2.24 -0.18 0.00 -2.06 0.00 0.00 37.83 33.10 3d5b s LYS 98 CO 0.01 0.48 0.86 -2.30 0.10 0.00 0.00 175.35 174.49 3d5b n PRO 99 N 0.50 0.16 0.00 1.78 -0.02 -1.25 -2.35 135.00 133.81 3d5b n PRO 99 Ca -0.13 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 3d5b n PRO 99 Cb 0.53 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 3d5b n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d5b n GLY 100 N 1.77 2.99 3.58 -1.23 0.00 -0.02 -4.41 105.19 107.86 3d5b n GLY 100 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 3d5b n GLY 100 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3d5b n ARG 101 N -1.19 -0.87 -3.85 1.61 3.00 -0.99 -2.91 116.66 111.46 3d5b n ARG 101 Ca 0.00 -0.20 -0.29 0.00 -0.00 0.00 0.00 57.85 57.36 3d5b n ARG 101 Cb 0.00 -2.23 -0.13 0.00 0.00 0.00 0.00 32.46 30.10 3d5b n ARG 101 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3d5b s VAL 102 N -2.54 2.39 0.08 5.15 1.01 -1.26 -2.58 120.40 122.64 3d5b s VAL 102 Ca 0.65 -3.58 -0.23 0.00 0.00 0.00 0.00 61.98 58.83 3d5b s VAL 102 Cb -0.23 -2.61 -0.14 0.00 0.00 0.00 0.00 36.38 33.40 3d5b s VAL 102 CO 0.61 -0.93 1.65 0.24 0.00 0.00 0.00 175.10 176.67 3d5b h MET 103 N 5.99 0.08 -4.89 2.72 2.86 -1.64 -3.38 114.93 116.68 3d5b h MET 103 Ca 0.05 -0.01 -0.33 0.00 -2.06 0.00 0.00 59.70 57.35 3d5b h MET 103 Cb 0.84 -0.02 -0.14 0.00 0.06 0.00 0.00 31.60 32.34 3d5b h MET 103 CO 0.65 0.16 -0.65 -0.06 1.06 0.00 0.00 176.91 178.07 3d5b s PHE 104 N -5.78 1.39 -0.29 -0.22 0.40 -1.25 -1.94 117.98 110.29 3d5b s PHE 104 Ca -0.14 -1.05 -0.16 0.00 -0.60 0.00 0.00 56.93 54.98 3d5b s PHE 104 Cb 0.06 -0.81 0.16 0.00 0.51 0.00 0.00 43.02 42.94 3d5b s PHE 104 CO 0.67 -0.22 1.02 -1.83 0.70 0.00 0.00 175.22 175.57 3d5b s GLU 105 N -3.94 0.31 0.41 0.44 -1.05 -0.63 -1.20 118.70 113.04 3d5b s GLU 105 Ca 0.30 0.58 0.08 0.00 -0.15 0.00 0.00 54.97 55.78 3d5b s GLU 105 Cb 0.07 0.14 -0.00 0.00 -0.44 0.00 0.00 34.13 33.89 3d5b s GLU 105 CO 0.08 -0.07 0.49 0.14 0.95 0.00 0.00 175.26 176.85 3d5b s VAL 106 N 1.54 2.95 0.28 1.83 -7.23 -1.15 -0.93 120.40 117.69 3d5b s VAL 106 Ca -0.07 -1.13 -0.21 0.00 -1.81 0.00 0.00 61.98 58.76 3d5b s VAL 106 Cb -0.04 -3.03 0.03 0.00 0.56 0.00 0.00 36.38 33.90 3d5b s VAL 106 CO -0.15 -0.01 0.75 0.00 -0.31 0.00 0.00 175.10 175.38 3d5b s ALA 107 N -2.38 -1.22 -0.86 1.32 0.00 -1.09 -0.37 121.76 117.16 3d5b s ALA 107 Ca 0.52 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.16 3d5b s ALA 107 Cb -0.07 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.86 3d5b s ALA 107 CO 0.31 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.44 3d5b n GLY 108 N -0.47 0.77 3.40 0.00 0.00 -1.26 -3.49 105.19 104.14 3d5b n GLY 108 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 3d5b n GLY 108 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3d5b n VAL 109 N -1.90 0.00 -2.53 1.61 0.24 -1.26 -4.73 118.33 109.76 3d5b n VAL 109 Ca -0.08 -2.31 -0.31 0.00 -2.04 0.00 0.00 64.34 59.60 3d5b n VAL 109 Cb 0.49 0.63 -0.02 0.00 -1.47 0.00 0.00 33.84 33.46 3d5b n VAL 109 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3d5b s THR 110 N -2.89 4.69 0.17 3.34 -4.23 -1.26 -4.97 115.64 110.50 3d5b s THR 110 Ca 0.09 0.84 -0.11 0.00 -1.18 0.00 0.00 61.69 61.32 3d5b s THR 110 Cb 0.00 -3.76 0.07 0.00 1.34 0.00 0.00 72.50 70.16 3d5b s THR 110 CO 0.06 -0.70 1.70 -0.33 -0.54 0.00 0.00 174.62 174.81 3d5b h GLU 111 N 0.82 0.95 -0.50 3.99 5.08 -2.01 -1.88 114.58 121.02 3d5b h GLU 111 Ca -0.47 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 57.70 3d5b h GLU 111 Cb 1.19 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 3d5b h GLU 111 CO 0.62 0.85 0.32 1.05 -1.00 0.00 0.00 179.01 180.85 3d5b h GLU 112 N 0.86 0.63 -0.61 2.33 9.09 -1.99 0.18 114.58 125.08 3d5b h GLU 112 Ca 0.19 -0.04 0.06 0.00 0.05 0.00 0.00 59.36 59.62 3d5b h GLU 112 Cb 0.30 -0.14 -0.05 0.00 -1.65 0.00 0.00 28.75 27.21 3d5b h GLU 112 CO -0.00 0.42 0.32 1.96 0.05 0.00 0.00 179.01 181.76 3d5b h GLN 113 N 0.65 0.58 0.85 1.06 4.20 -1.90 -2.30 115.11 118.25 3d5b h GLN 113 Ca 0.19 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.83 3d5b h GLN 113 Cb -0.04 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 27.62 3d5b h GLN 113 CO -0.06 0.39 -0.41 0.00 -0.67 0.00 0.00 178.83 178.08 3d5b h ALA 114 N 1.33 -1.14 -0.74 3.87 0.00 -0.60 -1.63 119.26 120.34 3d5b h ALA 114 Ca 0.27 -0.25 0.16 0.00 0.00 0.00 0.00 54.91 55.09 3d5b h ALA 114 Cb 0.19 0.44 -0.11 0.00 0.00 0.00 0.00 17.79 18.31 3d5b h ALA 114 CO -0.18 -1.06 0.22 1.98 0.00 0.00 0.00 179.25 180.21 3d5b h MET 115 N -1.30 0.31 -0.16 0.00 1.85 -0.59 0.92 114.93 115.96 3d5b h MET 115 Ca -0.12 -0.02 -0.09 0.00 -0.61 0.00 0.00 59.70 58.86 3d5b h MET 115 Cb 0.87 -0.07 -0.00 0.00 0.43 0.00 0.00 31.60 32.83 3d5b h MET 115 CO 0.19 0.20 -0.25 1.49 -0.40 0.00 0.00 176.91 178.14 3d5b h GLU 116 N 0.32 0.45 0.56 0.39 4.57 -1.46 -2.63 114.58 116.77 3d5b h GLU 116 Ca 0.42 -0.27 -0.03 0.00 -1.18 0.00 0.00 59.36 58.30 3d5b h GLU 116 Cb 0.70 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 3d5b h GLU 116 CO -0.48 0.87 -0.29 0.00 -1.18 0.00 0.00 179.01 177.92 3d5b h ALA 117 N 0.58 -1.19 -1.09 2.92 0.00 -0.28 -0.80 119.26 119.39 3d5b h ALA 117 Ca 0.01 -0.17 0.30 0.00 0.00 0.00 0.00 54.91 55.05 3d5b h ALA 117 Cb 0.83 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 3d5b h ALA 117 CO 0.06 -1.14 0.74 -0.07 0.00 0.00 0.00 179.25 178.84 3d5b h LEU 118 N -0.78 0.28 0.29 0.00 3.38 -0.98 0.27 115.31 117.77 3d5b h LEU 118 Ca -0.08 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3d5b h LEU 118 Cb 0.61 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3d5b h LEU 118 CO 0.11 0.04 -0.14 -0.09 0.09 0.00 0.00 178.44 178.45 3d5b h ARG 119 N 0.24 -0.38 0.06 1.13 2.43 -1.06 -1.10 114.38 115.70 3d5b h ARG 119 Ca 0.59 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.78 3d5b h ARG 119 Cb 1.81 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.45 3d5b h ARG 119 CO -0.20 -0.15 -0.03 0.82 -1.51 0.00 0.00 179.97 178.90 3d5b h ILE 120 N -0.55 0.95 -0.08 1.20 1.08 0.87 -1.66 117.51 119.33 3d5b h ILE 120 Ca -0.04 -0.02 0.02 0.00 -0.39 0.00 0.00 64.86 64.43 3d5b h ILE 120 Cb 0.40 0.97 -0.00 0.00 -3.07 0.00 0.00 36.82 35.12 3d5b h ILE 120 CO 0.07 0.01 0.12 0.00 -0.69 0.00 0.00 178.15 177.65 3d5b h ALA 121 N 0.86 1.51 -0.56 1.87 0.00 -0.80 0.41 119.26 122.55 3d5b h ALA 121 Ca -0.01 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3d5b h ALA 121 Cb 0.07 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3d5b h ALA 121 CO 0.01 -0.16 -0.01 0.78 0.00 0.00 0.00 179.25 179.87 3d5b h GLY 122 N 0.00 1.06 2.00 0.00 0.00 -0.21 -2.27 103.07 103.65 3d5b h GLY 122 Ca 0.04 -0.76 -0.05 0.00 0.00 0.00 0.00 47.33 46.55 3d5b h GLY 122 CO -0.00 0.70 -0.22 0.45 0.00 0.00 0.00 176.54 177.47 3d5b h HIS 123 N 0.90 0.00 0.00 5.60 -0.00 -0.79 0.01 115.15 120.87 3d5b h HIS 123 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.53 3d5b h HIS 123 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.95 3d5b h HIS 123 CO 0.03 0.22 0.00 1.63 -0.00 0.00 0.00 177.93 179.82 3d5b n LYS 124 N -3.64 0.18 -3.97 2.45 4.76 -0.87 -4.70 118.16 112.38 3d5b n LYS 124 Ca -0.01 0.43 -0.32 0.00 -2.87 0.00 0.00 58.31 55.54 3d5b n LYS 124 Cb 0.35 -1.86 -0.05 0.00 -1.84 0.00 0.00 35.03 31.63 3d5b n LYS 124 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3d5b s LEU 125 N -4.40 4.18 0.34 -0.35 1.43 -0.01 -4.78 118.68 115.09 3d5b s LEU 125 Ca 0.04 0.23 0.18 0.00 -1.03 0.00 0.00 54.13 53.55 3d5b s LEU 125 Cb 0.09 -2.62 0.29 0.00 0.03 0.00 0.00 46.19 43.98 3d5b s LEU 125 CO 0.37 0.22 1.55 -0.65 0.23 0.00 0.00 176.35 178.07 3d5b h PRO 126 N 3.58 0.00 -6.20 1.29 0.11 -1.84 -3.46 132.00 125.48 3d5b h PRO 126 Ca -0.47 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.06 3d5b h PRO 126 Cb 1.17 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 3d5b h PRO 126 CO 0.69 0.38 -0.07 0.42 -0.21 0.00 0.00 178.00 179.21 3d5b s ILE 127 N -3.15 4.80 0.29 4.15 1.01 -1.26 -5.04 121.20 121.99 3d5b s ILE 127 Ca 0.04 1.11 -0.30 0.00 0.00 0.00 0.00 60.65 61.50 3d5b s ILE 127 Cb 0.08 -3.85 -0.11 0.00 0.01 0.00 0.00 42.46 38.59 3d5b s ILE 127 CO 0.71 0.53 1.48 -0.75 0.00 0.00 0.00 174.94 176.91 3d5b s LYS 128 N -1.19 4.21 0.23 2.79 2.20 -1.26 -4.89 119.74 121.83 3d5b s LYS 128 Ca 0.29 2.41 0.02 0.00 -0.36 0.00 0.00 55.97 58.33 3d5b s LYS 128 Cb -0.19 -3.06 -0.05 0.00 -1.51 0.00 0.00 37.83 33.02 3d5b s LYS 128 CO 0.18 -0.47 0.03 0.95 -0.36 0.00 0.00 175.35 175.68 3d5b s THR 129 N -0.27 0.77 0.21 3.43 -4.23 -1.26 -1.66 115.64 112.63 3d5b s THR 129 Ca 0.59 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.14 3d5b s THR 129 Cb -0.44 -2.40 -0.05 0.00 1.34 0.00 0.00 72.50 70.95 3d5b s THR 129 CO 0.48 -0.25 -0.05 -0.75 -0.54 0.00 0.00 174.62 173.52 3d5b s LYS 130 N -3.94 1.28 -0.24 3.99 2.20 -0.78 -4.95 119.74 117.30 3d5b s LYS 130 Ca 0.31 -1.62 0.02 0.00 -0.36 0.00 0.00 55.97 54.31 3d5b s LYS 130 Cb 0.07 -0.72 0.06 0.00 -1.51 0.00 0.00 37.83 35.73 3d5b s LYS 130 CO 0.09 -0.01 -0.09 0.42 -0.36 0.00 0.00 175.35 175.40 3d5b s ILE 131 N -3.31 1.85 -0.10 5.43 1.01 -1.26 -2.05 121.20 122.77 3d5b s ILE 131 Ca 0.25 -1.40 -0.09 0.00 0.00 0.00 0.00 60.65 59.42 3d5b s ILE 131 Cb 0.04 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 3d5b s ILE 131 CO 0.07 -0.03 0.19 -0.69 0.00 0.00 0.00 174.94 174.47 3d5b s VAL 132 N 1.25 5.42 0.00 2.92 1.01 -0.96 -4.97 120.40 125.07 3d5b s VAL 132 Ca -0.07 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.24 3d5b s VAL 132 Cb -0.19 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.73 3d5b s VAL 132 CO -0.06 0.61 0.00 0.54 0.00 0.00 0.00 175.10 176.19 3d5b n ARG 133 N 1.99 0.00 0.12 2.72 1.74 -1.26 -1.61 116.66 120.35 3d5b n ARG 133 Ca -0.19 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 3d5b n ARG 133 Cb 0.54 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.98 3d5b n ARG 133 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3d5b n ARG 134 N 0.00 0.00 0.00 5.56 3.00 -1.25 -4.06 116.66 119.90 3d5b n ARG 134 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3d5b n ARG 134 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3d5b n ARG 134 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3d5b n ASP 135 N -3.16 0.00 0.00 6.15 9.92 -1.26 -4.20 116.55 124.00 3d5b n ASP 135 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3d5b n ASP 135 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 3d5b n ASP 135 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3d5b n ALA 136 N 10.70 0.68 -1.88 2.24 0.00 -1.26 -5.08 120.51 125.91 3d5b n ALA 136 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 3d5b n ALA 136 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 3d5b n ALA 136 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3d5b s TYR 137 N 0.00 1.51 0.00 0.00 1.51 -1.26 -4.69 117.35 114.42 3d5b s TYR 137 Ca 0.00 1.07 0.00 0.00 -1.01 0.00 0.00 57.07 57.13 3d5b s TYR 137 Cb 0.00 -3.89 0.00 0.00 -0.11 0.00 0.00 41.96 37.96 3d5b s TYR 137 CO 0.00 -2.11 0.00 -0.25 -1.11 0.00 0.00 175.55 172.08 3d5b n ASP 138 N 14.52 0.00 0.00 2.29 8.00 -1.26 -4.80 116.55 135.30 3d5b n ASP 138 Ca 0.32 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.82 3d5b n ASP 138 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 3d5b n ASP 138 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3d5b n GLU 139 N 0.00 0.00 0.00 -1.24 0.00 -1.26 -5.17 120.64 112.97 3d5b n GLU 139 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3d5b n GLU 139 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 3d5b n GLU 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3d5b n ALA 140 N 0.00 0.00 -1.35 4.31 0.00 -1.26 -5.32 120.51 116.89 3d5b n ALA 140 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3d5b n ALA 140 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3d5b n ALA 140 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54