#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5b n PHE 2 N 0.00 1.32 -3.73 2.03 3.01 -1.25 -4.38 117.46 114.46 3d5b n PHE 2 Ca 0.00 0.07 -0.38 0.00 1.01 0.00 0.00 57.45 58.14 3d5b n PHE 2 Cb 0.00 -2.63 -0.12 0.00 -0.01 0.00 0.00 39.48 36.72 3d5b n PHE 2 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3d5b s ALA 3 N 13.27 3.08 0.74 4.37 0.00 -1.24 -2.31 121.76 139.68 3d5b s ALA 3 Ca 0.96 -1.71 -0.11 0.00 0.00 0.00 0.00 51.96 51.10 3d5b s ALA 3 Cb -0.16 -2.30 0.03 0.00 0.00 0.00 0.00 23.12 20.69 3d5b s ALA 3 CO 0.19 -1.31 1.08 0.42 0.00 0.00 0.00 175.76 176.14 3d5b s ILE 4 N 1.43 3.63 -0.29 0.00 -1.09 0.92 -2.42 121.20 123.39 3d5b s ILE 4 Ca -0.01 0.53 -0.15 0.00 -2.23 0.00 0.00 60.65 58.79 3d5b s ILE 4 Cb -0.19 -3.26 0.11 0.00 -1.58 0.00 0.00 42.46 37.53 3d5b s ILE 4 CO 0.03 -0.69 0.77 0.54 -1.23 0.00 0.00 174.94 174.36 3d5b s VAL 5 N -3.08 -0.13 -0.22 2.92 0.11 -1.10 -0.91 120.40 117.99 3d5b s VAL 5 Ca 0.59 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.54 3d5b s VAL 5 Cb -0.14 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.66 3d5b s VAL 5 CO 0.55 0.00 0.15 -1.59 -3.33 0.00 0.00 175.10 170.87 3d5b s LYS 6 N 1.74 4.12 -0.26 1.54 -2.85 -1.26 -2.47 119.74 120.30 3d5b s LYS 6 Ca -0.09 -0.25 -0.22 0.00 -1.00 0.00 0.00 55.97 54.41 3d5b s LYS 6 Cb -0.05 -3.49 0.07 0.00 -2.06 0.00 0.00 37.83 32.30 3d5b s LYS 6 CO -0.18 0.17 0.69 -0.08 0.10 0.00 0.00 175.35 176.04 3d5b s THR 7 N 0.75 -0.00 -0.94 3.79 -1.32 -0.44 -4.83 115.64 112.64 3d5b s THR 7 Ca 0.08 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.56 3d5b s THR 7 Cb -0.12 -0.97 0.00 0.00 -1.51 0.00 0.00 72.50 69.89 3d5b s THR 7 CO 0.02 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 3d5b n GLY 8 N 3.05 0.46 2.77 6.08 0.00 -1.26 -2.76 105.19 113.53 3d5b n GLY 8 Ca -0.15 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.35 3d5b n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d5b n GLY 9 N -1.33 2.44 3.17 -0.02 0.00 -1.26 -4.96 105.19 103.23 3d5b n GLY 9 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 3d5b n GLY 9 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d5b s LYS 10 N -0.08 1.26 0.24 1.61 -2.85 -1.11 -5.12 119.74 113.69 3d5b s LYS 10 Ca 0.00 -0.69 0.12 0.00 -1.00 0.00 0.00 55.97 54.39 3d5b s LYS 10 Cb 0.00 -1.26 -0.05 0.00 -2.06 0.00 0.00 37.83 34.46 3d5b s LYS 10 CO 0.00 0.33 -0.22 1.14 0.10 0.00 0.00 175.35 176.71 3d5b s GLN 11 N -0.70 1.59 -0.03 1.78 -2.07 -1.26 -1.33 119.66 117.64 3d5b s GLN 11 Ca 0.06 -1.65 -0.30 0.00 -1.82 0.00 0.00 55.36 51.65 3d5b s GLN 11 Cb -0.07 -1.78 0.11 0.00 -1.09 0.00 0.00 33.01 30.18 3d5b s GLN 11 CO 0.00 0.36 0.93 1.52 -1.32 0.00 0.00 175.29 176.78 3d5b s TYR 12 N -2.13 -0.31 1.25 9.60 1.13 -1.03 -4.96 117.35 120.89 3d5b s TYR 12 Ca 0.25 0.19 -0.16 0.00 -1.41 0.00 0.00 57.07 55.94 3d5b s TYR 12 Cb -0.06 0.54 0.31 0.00 -1.10 0.00 0.00 41.96 41.64 3d5b s TYR 12 CO 0.12 -0.50 1.00 -0.98 -2.51 0.00 0.00 175.55 172.68 3d5b s ARG 13 N -3.03 -1.55 -0.23 -3.49 1.04 -1.26 -2.72 118.95 107.71 3d5b s ARG 13 Ca 0.06 0.56 -0.03 0.00 -1.04 0.00 0.00 55.73 55.27 3d5b s ARG 13 Cb -0.01 -1.50 0.12 0.00 -2.04 0.00 0.00 34.95 31.51 3d5b s ARG 13 CO -0.08 -4.07 0.31 0.08 -0.04 0.00 0.00 175.30 171.49 3d5b s VAL 14 N -2.45 -0.48 0.58 4.99 1.01 -1.02 -4.86 120.40 118.18 3d5b s VAL 14 Ca 0.68 -0.11 -0.18 0.00 0.00 0.00 0.00 61.98 62.37 3d5b s VAL 14 Cb -0.21 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 3d5b s VAL 14 CO 0.62 -0.18 1.14 -1.61 0.00 0.00 0.00 175.10 175.07 3d5b s GLU 15 N 2.44 3.17 -0.85 2.72 0.41 -1.26 -3.64 118.70 121.69 3d5b s GLU 15 Ca 0.10 1.59 -0.23 0.00 -0.41 0.00 0.00 54.97 56.02 3d5b s GLU 15 Cb -0.15 -1.98 -0.18 0.00 -1.78 0.00 0.00 34.13 30.03 3d5b s GLU 15 CO -0.15 -1.00 2.19 -0.35 -0.49 0.00 0.00 175.26 175.46 3d5b n PRO 16 N -1.61 0.31 -2.10 0.39 -0.04 -1.26 -3.75 135.00 126.93 3d5b n PRO 16 Ca 0.12 -0.98 -0.00 0.00 -0.04 0.00 0.00 63.50 62.59 3d5b n PRO 16 Cb 0.51 -3.30 0.00 0.00 -0.04 0.00 0.00 33.50 30.67 3d5b n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3d5b n GLY 17 N 6.29 -3.54 3.27 0.55 0.00 -1.25 -5.00 105.19 105.50 3d5b n GLY 17 Ca 0.44 0.11 -0.10 0.00 0.00 0.00 0.00 46.02 46.47 3d5b n GLY 17 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3d5b s LEU 18 N -0.82 0.86 -0.06 0.99 -0.00 -1.21 -4.91 118.68 113.53 3d5b s LEU 18 Ca 0.00 -0.46 -0.30 0.00 -0.00 0.00 0.00 54.13 53.38 3d5b s LEU 18 Cb -0.00 1.47 -0.05 0.00 -0.00 0.00 0.00 46.19 47.62 3d5b s LEU 18 CO 0.39 -0.79 1.50 -0.54 -0.00 0.00 0.00 176.35 176.91 3d5b s LYS 19 N -3.79 4.22 0.19 1.48 1.02 -1.26 -1.64 119.74 119.96 3d5b s LYS 19 Ca 0.04 2.01 0.07 0.00 0.02 0.00 0.00 55.97 58.11 3d5b s LYS 19 Cb 0.03 -3.82 -0.05 0.00 -0.52 0.00 0.00 37.83 33.47 3d5b s LYS 19 CO -0.11 -0.75 -0.13 -1.17 -0.92 0.00 0.00 175.35 172.27 3d5b s LEU 20 N 3.48 2.54 -0.15 3.17 2.96 -1.01 -4.97 118.68 124.70 3d5b s LEU 20 Ca 0.67 -1.03 -0.02 0.00 -0.22 0.00 0.00 54.13 53.53 3d5b s LEU 20 Cb -0.30 -0.58 0.04 0.00 0.50 0.00 0.00 46.19 45.85 3d5b s LEU 20 CO 0.25 -0.22 -0.00 -0.13 -1.32 0.00 0.00 176.35 174.92 3d5b s ARG 21 N -3.68 0.91 0.43 1.98 0.52 -1.26 -2.54 118.95 115.30 3d5b s ARG 21 Ca 0.22 -0.29 0.03 0.00 -0.52 0.00 0.00 55.73 55.17 3d5b s ARG 21 Cb 0.00 -1.72 -0.02 0.00 0.52 0.00 0.00 34.95 33.73 3d5b s ARG 21 CO 0.06 -0.46 0.10 0.08 0.02 0.00 0.00 175.30 175.09 3d5b s VAL 22 N 1.82 0.76 0.47 3.52 1.01 -0.70 -4.98 120.40 122.31 3d5b s VAL 22 Ca 0.02 -2.00 -0.24 0.00 0.00 0.00 0.00 61.98 59.75 3d5b s VAL 22 Cb -0.15 -2.33 -0.07 0.00 0.00 0.00 0.00 36.38 33.82 3d5b s VAL 22 CO -0.07 0.00 1.41 -0.70 0.00 0.00 0.00 175.10 175.74 3d5b s GLU 23 N -3.75 3.55 0.28 2.72 2.56 -1.26 -1.02 118.70 121.78 3d5b s GLU 23 Ca 0.20 2.37 -0.28 0.00 0.00 0.00 0.00 54.97 57.26 3d5b s GLU 23 Cb 0.03 -2.56 -0.14 0.00 2.00 0.00 0.00 34.13 33.46 3d5b s GLU 23 CO 0.12 -0.91 0.97 1.17 -0.56 0.00 0.00 175.26 176.05 3d5b n LYS 24 N -0.40 1.21 -4.18 4.30 4.81 -1.25 -4.14 118.16 118.52 3d5b n LYS 24 Ca 0.06 0.42 -0.11 0.00 -0.87 0.00 0.00 58.31 57.82 3d5b n LYS 24 Cb 0.43 -1.76 -0.10 0.00 0.02 0.00 0.00 35.03 33.61 3d5b n LYS 24 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3d5b s LEU 25 N 0.71 2.51 -1.27 3.14 0.20 -1.26 -4.92 118.68 117.79 3d5b s LEU 25 Ca 0.60 -1.00 -0.10 0.00 0.69 0.00 0.00 54.13 54.32 3d5b s LEU 25 Cb -0.73 -0.10 0.17 0.00 -0.43 0.00 0.00 46.19 45.09 3d5b s LEU 25 CO 0.59 -0.45 1.77 0.47 -0.29 0.00 0.00 176.35 178.45 3d5b n ASP 26 N -0.02 5.11 -4.14 3.68 8.00 -1.26 -4.94 116.55 122.98 3d5b n ASP 26 Ca -0.12 -3.08 -0.10 0.00 0.71 0.00 0.00 54.79 52.20 3d5b n ASP 26 Cb 0.61 -1.50 -0.10 0.00 -0.02 0.00 0.00 41.12 40.10 3d5b n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3d5b s ALA 27 N 0.69 0.85 1.05 2.24 0.00 -1.26 -5.15 121.76 120.18 3d5b s ALA 27 Ca 0.40 -1.25 -0.15 0.00 0.00 0.00 0.00 51.96 50.96 3d5b s ALA 27 Cb 0.07 0.16 0.10 0.00 0.00 0.00 0.00 23.12 23.45 3d5b s ALA 27 CO 0.00 -0.23 0.33 0.39 0.00 0.00 0.00 175.76 176.25 3d5b n GLU 28 N 0.18 -1.09 0.00 0.00 1.02 -1.26 -4.96 120.64 114.53 3d5b n GLU 28 Ca -0.14 -0.29 0.00 0.00 -0.02 0.00 0.00 57.16 56.71 3d5b n GLU 28 Cb 0.60 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 3d5b n GLU 28 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3d5b n PRO 29 N -2.32 0.00 -2.98 3.49 -0.04 -1.26 -4.03 135.00 127.85 3d5b n PRO 29 Ca 0.04 0.28 -0.36 0.00 -0.04 0.00 0.00 63.50 63.42 3d5b n PRO 29 Cb 0.57 -1.10 -0.02 0.00 -0.04 0.00 0.00 33.50 32.92 3d5b n PRO 29 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3d5b n GLY 30 N -0.74 5.46 0.00 0.55 0.00 -1.26 -3.23 105.19 105.97 3d5b n GLY 30 Ca 0.00 -2.69 0.00 0.00 0.00 0.00 0.00 46.02 43.33 3d5b n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d5b n ALA 31 N 0.51 0.00 -3.68 4.61 0.00 -1.25 -4.96 120.51 115.73 3d5b n ALA 31 Ca 0.34 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.60 3d5b n ALA 31 Cb 0.34 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.63 3d5b n ALA 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3d5b s THR 32 N 0.56 0.27 0.14 0.00 2.01 -1.26 -1.74 115.64 115.61 3d5b s THR 32 Ca 0.00 0.03 0.08 0.00 0.31 0.00 0.00 61.69 62.11 3d5b s THR 32 Cb 0.00 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 72.12 3d5b s THR 32 CO 0.00 0.16 -0.20 0.68 -0.69 0.00 0.00 174.62 174.58 3d5b s VAL 33 N 0.97 1.79 -0.11 3.82 -7.23 -0.92 -4.98 120.40 113.73 3d5b s VAL 33 Ca -0.11 -1.76 -0.04 0.00 -1.81 0.00 0.00 61.98 58.27 3d5b s VAL 33 Cb -0.14 -1.73 -0.04 0.00 0.56 0.00 0.00 36.38 35.04 3d5b s VAL 33 CO -0.01 -0.20 0.03 -0.70 -0.31 0.00 0.00 175.10 173.91 3d5b s GLU 34 N -2.41 3.27 -0.76 4.82 2.12 -1.26 -2.43 118.70 122.05 3d5b s GLU 34 Ca 0.12 -0.36 0.01 0.00 0.36 0.00 0.00 54.97 55.10 3d5b s GLU 34 Cb -0.08 -2.93 0.19 0.00 0.26 0.00 0.00 34.13 31.57 3d5b s GLU 34 CO 0.06 0.61 0.59 -0.51 -0.54 0.00 0.00 175.26 175.46 3d5b s LEU 35 N -0.61 5.14 0.62 2.70 2.01 0.09 -4.92 118.68 123.71 3d5b s LEU 35 Ca 0.10 -3.61 0.25 0.00 0.01 0.00 0.00 54.13 50.88 3d5b s LEU 35 Cb -0.12 -1.78 1.20 0.00 0.01 0.00 0.00 46.19 45.50 3d5b s LEU 35 CO 0.02 -0.17 1.65 1.55 1.01 0.00 0.00 176.35 180.41 3d5b h PRO 36 N 5.94 0.00 -5.94 1.29 0.13 -1.82 -2.99 132.00 128.61 3d5b h PRO 36 Ca 0.11 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.66 3d5b h PRO 36 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3d5b h PRO 36 CO 0.77 0.00 1.51 1.33 -0.23 0.00 0.00 178.00 181.38 3d5b n VAL 37 N -3.27 0.29 -3.83 1.56 0.24 -1.26 -4.48 118.33 107.57 3d5b n VAL 37 Ca 0.09 -0.50 -0.12 0.00 -2.04 0.00 0.00 64.34 61.77 3d5b n VAL 37 Cb 0.86 -2.57 -0.13 0.00 -1.47 0.00 0.00 33.84 30.53 3d5b n VAL 37 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3d5b s LEU 38 N 8.78 1.52 -0.08 1.34 0.20 -1.26 -4.33 118.68 124.85 3d5b s LEU 38 Ca 1.01 0.21 -0.02 0.00 0.69 0.00 0.00 54.13 56.02 3d5b s LEU 38 Cb -0.33 0.34 0.03 0.00 -0.43 0.00 0.00 46.19 45.80 3d5b s LEU 38 CO 0.35 -0.05 0.01 -0.76 -0.29 0.00 0.00 176.35 175.61 3d5b s LEU 39 N 0.18 0.56 0.26 -0.68 2.01 -0.08 -2.51 118.68 118.42 3d5b s LEU 39 Ca -0.01 -0.12 0.00 0.00 0.01 0.00 0.00 54.13 54.01 3d5b s LEU 39 Cb -0.02 -0.41 0.00 0.00 0.01 0.00 0.00 46.19 45.77 3d5b s LEU 39 CO -0.01 -0.21 0.00 0.18 1.01 0.00 0.00 176.35 177.32 3d5b n LEU 40 N 5.17 -0.55 0.00 1.79 4.77 -1.18 -0.06 117.00 126.94 3d5b n LEU 40 Ca -0.07 1.21 0.00 0.00 -0.03 0.00 0.00 56.01 57.12 3d5b n LEU 40 Cb 0.50 -3.33 0.00 0.00 -2.33 0.00 0.00 43.42 38.26 3d5b n LEU 40 CO 0.10 -2.90 0.00 0.61 -1.33 0.00 0.00 177.39 173.87 3d5b n GLY 41 N -3.50 3.67 0.09 -0.72 0.00 -0.98 -4.17 105.19 99.58 3d5b n GLY 41 Ca 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 46.02 45.09 3d5b n GLY 41 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3d5b h GLY 42 N 0.00 0.00 -4.01 -0.02 0.00 -1.76 -3.33 103.07 93.95 3d5b h GLY 42 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 3d5b h GLY 42 CO 0.00 0.00 -0.17 1.18 0.00 0.00 0.00 176.54 177.55 3d5b n GLU 43 N -3.08 3.26 -2.58 4.80 4.71 -1.26 -4.85 120.64 121.64 3d5b n GLU 43 Ca -0.09 -3.91 -0.06 0.00 -0.01 0.00 0.00 57.16 53.10 3d5b n GLU 43 Cb 0.92 -2.28 0.01 0.00 -1.01 0.00 0.00 31.44 29.08 3d5b n GLU 43 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3d5b n LYS 44 N -0.73 -1.85 -2.71 3.49 5.02 -1.26 -4.93 118.16 115.20 3d5b n LYS 44 Ca 0.50 1.76 -0.43 0.00 -2.02 0.00 0.00 58.31 58.12 3d5b n LYS 44 Cb 0.79 -4.82 0.01 0.00 -0.02 0.00 0.00 35.03 30.98 3d5b n LYS 44 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3d5b n THR 45 N -0.41 4.86 -1.62 -0.18 -1.04 -1.26 -4.87 114.28 109.76 3d5b n THR 45 Ca 0.09 -5.21 -0.62 0.00 -2.04 0.00 0.00 64.05 56.27 3d5b n THR 45 Cb 0.37 -2.22 -0.09 0.00 -1.82 0.00 0.00 70.33 66.57 3d5b n THR 45 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 3d5b n VAL 46 N 2.32 0.12 -2.48 12.58 0.24 -1.26 -3.11 118.33 126.73 3d5b n VAL 46 Ca 0.32 -0.04 -0.40 0.00 -2.04 0.00 0.00 64.34 62.18 3d5b n VAL 46 Cb 0.35 -0.83 -0.02 0.00 -1.47 0.00 0.00 33.84 31.87 3d5b n VAL 46 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3d5b s VAL 47 N 4.09 3.98 0.00 3.34 1.01 -1.26 -4.88 120.40 126.68 3d5b s VAL 47 Ca 1.06 -1.56 0.00 0.00 0.00 0.00 0.00 61.98 61.48 3d5b s VAL 47 Cb -1.31 -5.05 0.00 0.00 0.00 0.00 0.00 36.38 30.03 3d5b s VAL 47 CO 0.71 -1.82 0.63 0.61 0.00 0.00 0.00 175.10 175.23 3d5b n GLY 48 N 5.71 -3.47 3.89 4.51 0.00 -1.26 -4.48 105.19 110.10 3d5b n GLY 48 Ca 0.46 0.72 -0.29 0.00 0.00 0.00 0.00 46.02 46.90 3d5b n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3d5b s THR 49 N -1.58 2.39 0.34 2.61 -4.23 -1.26 -4.92 115.64 108.99 3d5b s THR 49 Ca 0.00 0.13 0.11 0.00 -1.18 0.00 0.00 61.69 60.74 3d5b s THR 49 Cb 0.00 -3.12 0.39 0.00 1.34 0.00 0.00 72.50 71.11 3d5b s THR 49 CO 0.00 -0.17 1.57 -0.65 -0.54 0.00 0.00 174.62 174.84 3d5b h PRO 50 N -0.96 0.00 -5.74 3.99 0.11 -2.01 -3.34 132.00 124.05 3d5b h PRO 50 Ca -0.46 -0.00 -0.68 0.00 0.11 0.00 0.00 66.00 64.97 3d5b h PRO 50 Cb 1.31 -0.00 -0.31 0.00 0.11 0.00 0.00 31.00 32.11 3d5b h PRO 50 CO 0.65 0.00 -0.87 0.08 -0.21 0.00 0.00 178.00 177.65 3d5b s VAL 51 N -5.79 2.16 0.29 3.15 1.01 -1.26 -4.98 120.40 114.98 3d5b s VAL 51 Ca -0.11 -1.01 -0.28 0.00 0.00 0.00 0.00 61.98 60.58 3d5b s VAL 51 Cb 0.31 -1.81 -0.14 0.00 0.00 0.00 0.00 36.38 34.75 3d5b s VAL 51 CO 0.78 0.56 0.97 0.55 0.00 0.00 0.00 175.10 177.97 3d5b n VAL 52 N 3.17 2.01 0.00 2.92 3.14 -1.04 -4.84 118.33 123.67 3d5b n VAL 52 Ca -0.18 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.70 3d5b n VAL 52 Cb 0.52 -0.93 0.00 0.00 -1.06 0.00 0.00 33.84 32.37 3d5b n VAL 52 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3d5b n GLU 53 N 0.72 0.00 -2.25 1.45 1.02 -1.26 -4.46 120.64 115.86 3d5b n GLU 53 Ca 0.10 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.91 3d5b n GLU 53 Cb 0.32 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.70 3d5b n GLU 53 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3d5b s GLY 54 N 0.00 0.63 0.05 0.62 0.00 -1.26 -4.87 107.32 102.49 3d5b s GLY 54 Ca 0.00 -1.95 -0.27 0.00 0.00 0.00 0.00 44.72 42.50 3d5b s GLY 54 CO 0.00 3.19 0.71 0.00 0.00 0.00 0.00 173.10 177.00 3d5b s ALA 55 N 8.19 -1.71 -0.27 3.20 0.00 -1.26 -4.90 121.76 125.00 3d5b s ALA 55 Ca 0.61 0.89 -0.23 0.00 0.00 0.00 0.00 51.96 53.23 3d5b s ALA 55 Cb -0.03 0.44 0.07 0.00 0.00 0.00 0.00 23.12 23.61 3d5b s ALA 55 CO -0.01 -0.61 0.71 -1.54 0.00 0.00 0.00 175.76 174.31 3d5b s SER 56 N -2.17 -0.78 -0.23 0.00 1.04 -1.09 -4.64 113.70 105.84 3d5b s SER 56 Ca -0.02 1.45 -0.02 0.00 0.48 0.00 0.00 55.95 57.84 3d5b s SER 56 Cb -0.01 1.45 0.01 0.00 0.10 0.00 0.00 66.02 67.57 3d5b s SER 56 CO -0.05 -0.25 -0.07 0.54 0.98 0.00 0.00 173.24 174.39 3d5b s VAL 57 N 0.57 2.97 -0.09 5.02 0.11 -1.13 -3.40 120.40 124.45 3d5b s VAL 57 Ca -0.02 -0.79 0.00 0.00 -2.93 0.00 0.00 61.98 58.25 3d5b s VAL 57 Cb -0.05 -2.41 -0.02 0.00 -1.53 0.00 0.00 36.38 32.37 3d5b s VAL 57 CO -0.02 0.34 -0.09 -0.69 -3.33 0.00 0.00 175.10 171.30 3d5b s VAL 58 N 1.39 3.44 0.14 2.04 1.01 0.28 -0.73 120.40 127.96 3d5b s VAL 58 Ca 0.03 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.46 3d5b s VAL 58 Cb -0.15 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 3d5b s VAL 58 CO -0.05 0.56 0.03 0.00 0.00 0.00 0.00 175.10 175.64 3d5b s ALA 59 N -0.32 1.03 -0.28 5.51 0.00 -1.02 -0.67 121.76 126.01 3d5b s ALA 59 Ca 0.04 -1.51 -0.09 0.00 0.00 0.00 0.00 51.96 50.40 3d5b s ALA 59 Cb -0.13 0.73 -0.02 0.00 0.00 0.00 0.00 23.12 23.70 3d5b s ALA 59 CO 0.02 -0.42 0.13 -2.00 0.00 0.00 0.00 175.76 173.49 3d5b s GLU 60 N -4.00 3.57 -0.49 0.00 2.12 0.62 -2.17 118.70 118.35 3d5b s GLU 60 Ca 0.23 -0.56 -0.26 0.00 0.36 0.00 0.00 54.97 54.75 3d5b s GLU 60 Cb 0.07 -3.51 -0.06 0.00 0.26 0.00 0.00 34.13 30.89 3d5b s GLU 60 CO 0.02 -0.29 2.34 0.14 -0.54 0.00 0.00 175.26 176.93 3d5b s VAL 61 N 1.65 3.05 -2.00 3.70 -7.23 -0.71 -0.46 120.40 118.39 3d5b s VAL 61 Ca 0.06 0.03 0.12 0.00 -1.81 0.00 0.00 61.98 60.38 3d5b s VAL 61 Cb -0.16 -3.12 0.35 0.00 0.56 0.00 0.00 36.38 34.01 3d5b s VAL 61 CO 0.06 -0.11 1.19 -0.11 -0.31 0.00 0.00 175.10 175.83 3d5b n LEU 62 N 15.31 0.00 0.00 1.32 7.94 -0.72 -3.86 117.00 136.99 3d5b n LEU 62 Ca 0.34 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.24 3d5b n LEU 62 Cb 0.54 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.49 3d5b n LEU 62 CO 0.71 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.60 3d5b n GLY 63 N 0.16 0.53 0.00 -3.96 0.00 -1.20 -4.81 105.19 95.91 3d5b n GLY 63 Ca 0.09 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.94 3d5b n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3d5b n HIS 64 N 2.78 0.00 0.00 1.61 8.25 -1.26 -1.57 115.22 125.03 3d5b n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3d5b n HIS 64 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3d5b n HIS 64 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3d5b n GLY 65 N 5.00 3.85 3.41 -1.41 0.00 -1.20 -4.78 105.19 110.06 3d5b n GLY 65 Ca 0.00 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 3d5b n GLY 65 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3d5b n ARG 66 N -0.27 -3.72 -1.78 1.61 1.85 -1.26 -2.75 116.66 110.35 3d5b n ARG 66 Ca 0.00 -1.67 0.00 0.00 -1.00 0.00 0.00 57.85 55.18 3d5b n ARG 66 Cb 0.00 -1.73 0.00 0.00 -1.05 0.00 0.00 32.46 29.68 3d5b n ARG 66 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3d5b n GLY 67 N -5.13 3.98 3.21 2.89 0.00 -1.04 -4.84 105.19 104.24 3d5b n GLY 67 Ca 0.15 -1.59 -0.55 0.00 0.00 0.00 0.00 46.02 44.03 3d5b n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3d5b n LYS 68 N 0.00 0.00 -2.84 1.61 4.76 -1.26 -4.65 118.16 115.78 3d5b n LYS 68 Ca 0.00 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.01 3d5b n LYS 68 Cb 0.00 -1.36 -0.03 0.00 -1.84 0.00 0.00 35.03 31.80 3d5b n LYS 68 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3d5b s LYS 69 N 0.32 3.47 0.78 1.97 2.20 -1.26 -4.45 119.74 122.77 3d5b s LYS 69 Ca 0.84 -1.39 -0.12 0.00 -0.36 0.00 0.00 55.97 54.94 3d5b s LYS 69 Cb -1.18 -4.81 0.07 0.00 -1.51 0.00 0.00 37.83 30.40 3d5b s LYS 69 CO 0.54 -1.87 1.13 0.42 -0.36 0.00 0.00 175.35 175.22 3d5b s ILE 70 N 3.48 2.75 -0.25 5.43 1.01 -0.83 -4.88 121.20 127.90 3d5b s ILE 70 Ca 0.32 0.29 0.01 0.00 0.00 0.00 0.00 60.65 61.27 3d5b s ILE 70 Cb -0.07 -2.67 0.07 0.00 0.01 0.00 0.00 42.46 39.80 3d5b s ILE 70 CO -0.04 -0.27 -0.02 -0.22 0.00 0.00 0.00 174.94 174.38 3d5b s LEU 71 N -5.75 2.61 0.30 2.97 0.20 -1.26 -2.68 118.68 115.07 3d5b s LEU 71 Ca 0.67 -1.29 -0.12 0.00 0.69 0.00 0.00 54.13 54.08 3d5b s LEU 71 Cb -0.22 -1.13 -0.08 0.00 -0.43 0.00 0.00 46.19 44.33 3d5b s LEU 71 CO 0.52 -0.27 0.68 0.68 -0.29 0.00 0.00 176.35 177.66 3d5b s VAL 72 N 1.41 4.79 -0.30 1.68 -7.23 -0.74 -5.01 120.40 115.00 3d5b s VAL 72 Ca -0.02 0.72 -0.11 0.00 -1.81 0.00 0.00 61.98 60.75 3d5b s VAL 72 Cb -0.19 -3.63 0.16 0.00 0.56 0.00 0.00 36.38 33.28 3d5b s VAL 72 CO -0.09 -0.20 0.82 -0.94 -0.31 0.00 0.00 175.10 174.39 3d5b s SER 73 N -2.45 -0.87 0.13 4.85 1.04 -1.26 -1.82 113.70 113.32 3d5b s SER 73 Ca 0.51 1.05 0.01 0.00 0.48 0.00 0.00 55.95 58.00 3d5b s SER 73 Cb -0.11 1.93 -0.04 0.00 0.10 0.00 0.00 66.02 67.91 3d5b s SER 73 CO 0.21 -0.17 0.29 -0.54 0.98 0.00 0.00 173.24 174.01 3d5b s LYS 74 N 2.70 3.46 -0.29 4.02 1.02 -0.24 -4.96 119.74 125.44 3d5b s LYS 74 Ca -0.01 -0.49 -0.07 0.00 0.02 0.00 0.00 55.97 55.41 3d5b s LYS 74 Cb -0.10 -2.96 0.14 0.00 -0.52 0.00 0.00 37.83 34.40 3d5b s LYS 74 CO -0.18 0.52 0.62 0.12 -0.92 0.00 0.00 175.35 175.51 3d5b s PHE 75 N -1.70 -1.38 -0.04 3.18 2.19 -1.26 -1.76 117.98 117.21 3d5b s PHE 75 Ca 0.36 2.11 0.00 0.00 0.33 0.00 0.00 56.93 59.73 3d5b s PHE 75 Cb -0.12 0.71 -0.03 0.00 -1.31 0.00 0.00 43.02 42.27 3d5b s PHE 75 CO 0.28 -0.72 -0.01 0.15 1.83 0.00 0.00 175.22 176.76 3d5b s LYS 76 N 2.87 2.86 0.90 10.12 1.02 -1.16 -5.07 119.74 131.28 3d5b s LYS 76 Ca 0.02 -0.52 -0.13 0.00 0.02 0.00 0.00 55.97 55.36 3d5b s LYS 76 Cb -0.13 -2.71 0.17 0.00 -0.52 0.00 0.00 37.83 34.65 3d5b s LYS 76 CO -0.19 0.66 1.24 0.00 -0.92 0.00 0.00 175.35 176.14 3d5b s ALA 77 N -0.97 2.57 -0.21 5.17 0.00 -1.26 -4.06 121.76 123.00 3d5b s ALA 77 Ca 0.16 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.85 3d5b s ALA 77 Cb -0.11 -2.63 0.00 0.00 0.00 0.00 0.00 23.12 20.38 3d5b s ALA 77 CO 0.06 -2.17 0.00 0.36 0.00 0.00 0.00 175.76 174.01 3d5b n LYS 78 N -3.53 -1.20 -3.67 0.00 2.85 -1.26 -4.80 118.16 106.54 3d5b n LYS 78 Ca 0.15 0.13 -0.09 0.00 -1.05 0.00 0.00 58.31 57.44 3d5b n LYS 78 Cb 0.60 -3.97 -0.10 0.00 -0.65 0.00 0.00 35.03 30.91 3d5b n LYS 78 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3d5b s VAL 79 N -1.03 -0.29 -0.41 0.58 1.01 -1.26 -5.06 120.40 113.94 3d5b s VAL 79 Ca 0.00 0.10 -0.26 0.00 0.00 0.00 0.00 61.98 61.83 3d5b s VAL 79 Cb 0.00 -0.70 -0.26 0.00 0.00 0.00 0.00 36.38 35.43 3d5b s VAL 79 CO 0.00 0.04 1.76 0.00 0.00 0.00 0.00 175.10 176.91 3d5b n GLN 80 N 4.72 0.81 -3.81 2.72 -0.00 -1.26 -4.72 117.38 115.84 3d5b n GLN 80 Ca -0.17 -1.44 -0.28 0.00 -0.00 0.00 0.00 57.00 55.11 3d5b n GLN 80 Cb 0.53 -2.71 -0.16 0.00 -0.00 0.00 0.00 30.24 27.90 3d5b n GLN 80 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 3d5b s TYR 81 N 5.89 1.48 -0.05 2.61 6.14 -1.26 -5.11 117.35 127.05 3d5b s TYR 81 Ca 0.62 -1.13 -0.02 0.00 0.64 0.00 0.00 57.07 57.18 3d5b s TYR 81 Cb 0.14 -1.21 0.04 0.00 0.42 0.00 0.00 41.96 41.35 3d5b s TYR 81 CO 0.22 -0.66 0.10 1.03 0.64 0.00 0.00 175.55 176.88 3d5b s ARG 82 N 1.70 0.02 -0.06 4.97 0.52 -1.26 -2.96 118.95 121.88 3d5b s ARG 82 Ca -0.02 0.34 0.04 0.00 -0.52 0.00 0.00 55.73 55.56 3d5b s ARG 82 Cb -0.17 -0.25 0.00 0.00 0.52 0.00 0.00 34.95 35.04 3d5b s ARG 82 CO -0.07 -0.21 -0.17 1.03 0.02 0.00 0.00 175.30 175.90 3d5b s ARG 83 N 1.41 1.97 -0.44 3.54 1.81 -0.72 -5.01 118.95 121.51 3d5b s ARG 83 Ca -0.06 -0.60 0.02 0.00 -1.72 0.00 0.00 55.73 53.38 3d5b s ARG 83 Cb -0.12 -1.63 0.13 0.00 -0.45 0.00 0.00 34.95 32.87 3d5b s ARG 83 CO -0.05 0.17 0.21 0.21 -0.68 0.00 0.00 175.30 175.17 3d5b s LYS 84 N 0.27 1.41 -0.21 3.54 2.20 -1.26 -1.08 119.74 124.61 3d5b s LYS 84 Ca -0.09 -2.05 -0.06 0.00 -0.36 0.00 0.00 55.97 53.41 3d5b s LYS 84 Cb -0.14 -2.61 -0.03 0.00 -1.51 0.00 0.00 37.83 33.55 3d5b s LYS 84 CO 0.04 -1.11 0.02 0.21 -0.36 0.00 0.00 175.35 174.15 3d5b s LYS 85 N 0.37 3.68 -0.03 4.03 2.20 -0.76 -5.01 119.74 124.22 3d5b s LYS 85 Ca 0.16 -0.49 -0.14 0.00 -0.36 0.00 0.00 55.97 55.14 3d5b s LYS 85 Cb -0.24 -3.14 -0.05 0.00 -1.51 0.00 0.00 37.83 32.89 3d5b s LYS 85 CO -0.03 0.01 0.39 0.20 -0.36 0.00 0.00 175.35 175.56 3d5b s GLY 86 N 1.02 2.44 -0.12 5.54 0.00 -1.26 -1.79 107.32 113.14 3d5b s GLY 86 Ca 0.02 -0.26 -0.12 0.00 0.00 0.00 0.00 44.72 44.36 3d5b s GLY 86 CO 0.02 0.17 0.35 -1.58 0.00 0.00 0.00 173.10 172.06 3d5b s HIS 87 N -0.87 -0.37 -0.04 1.90 5.04 -1.09 -4.97 115.29 114.89 3d5b s HIS 87 Ca 0.23 0.89 -0.03 0.00 -1.54 0.00 0.00 55.06 54.61 3d5b s HIS 87 Cb -0.16 0.13 0.01 0.00 0.04 0.00 0.00 32.58 32.60 3d5b s HIS 87 CO 0.12 -0.20 0.10 -0.98 -2.34 0.00 0.00 174.74 171.45 3d5b s ARG 88 N 0.09 0.11 -0.07 2.88 1.04 -1.26 -1.97 118.95 119.77 3d5b s ARG 88 Ca -0.01 0.17 -0.11 0.00 -1.04 0.00 0.00 55.73 54.74 3d5b s ARG 88 Cb -0.03 0.02 -0.05 0.00 -2.04 0.00 0.00 34.95 32.86 3d5b s ARG 88 CO 0.01 -0.03 0.26 -1.14 -0.04 0.00 0.00 175.30 174.35 3d5b s GLN 89 N 0.20 3.69 0.51 3.89 2.00 -1.26 -4.89 119.66 123.80 3d5b s GLN 89 Ca -0.01 0.11 -0.03 0.00 -2.00 0.00 0.00 55.36 53.43 3d5b s GLN 89 Cb -0.02 -3.22 0.00 0.00 0.80 0.00 0.00 33.01 30.57 3d5b s GLN 89 CO -0.01 0.71 0.78 -1.25 -0.50 0.00 0.00 175.29 175.02 3d5b s PRO 90 N -0.96 3.03 0.37 1.67 0.04 -1.26 -2.51 135.00 135.37 3d5b s PRO 90 Ca 0.19 -0.25 -0.13 0.00 0.04 0.00 0.00 61.00 60.85 3d5b s PRO 90 Cb -0.14 -2.43 0.04 0.00 0.04 0.00 0.00 34.50 32.02 3d5b s PRO 90 CO 0.08 -0.45 0.72 1.52 0.04 0.00 0.00 177.00 178.91 3d5b s TYR 91 N -2.75 0.29 0.05 0.56 -0.85 -1.11 -3.85 117.35 109.69 3d5b s TYR 91 Ca 0.51 -0.86 0.06 0.00 -0.52 0.00 0.00 57.07 56.26 3d5b s TYR 91 Cb -0.10 0.64 -0.02 0.00 0.38 0.00 0.00 41.96 42.86 3d5b s TYR 91 CO 0.41 -1.46 -0.17 0.95 -1.52 0.00 0.00 175.55 173.76 3d5b s THR 92 N -2.57 1.40 -1.23 -3.49 -4.23 -0.19 -3.26 115.64 102.07 3d5b s THR 92 Ca 0.18 -1.14 -0.04 0.00 -1.18 0.00 0.00 61.69 59.51 3d5b s THR 92 Cb -0.04 -1.24 0.19 0.00 1.34 0.00 0.00 72.50 72.74 3d5b s THR 92 CO 0.13 0.08 2.17 -0.62 -0.54 0.00 0.00 174.62 175.84 3d5b n GLU 93 N 1.79 4.79 -1.54 3.99 1.02 -0.61 -1.72 120.64 128.36 3d5b n GLU 93 Ca -0.18 -3.84 -0.36 0.00 -0.02 0.00 0.00 57.16 52.75 3d5b n GLU 93 Cb 0.54 -2.60 -0.05 0.00 -0.02 0.00 0.00 31.44 29.31 3d5b n GLU 93 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3d5b n LEU 94 N 1.33 1.92 -4.55 -4.62 4.77 -1.05 -1.76 117.00 113.04 3d5b n LEU 94 Ca 0.56 -0.41 -0.42 0.00 -0.03 0.00 0.00 56.01 55.70 3d5b n LEU 94 Cb 0.26 -1.46 -0.03 0.00 -2.33 0.00 0.00 43.42 39.85 3d5b n LEU 94 CO 0.65 -1.45 0.93 -0.22 -1.33 0.00 0.00 177.39 175.97 3d5b s LEU 95 N 11.69 3.76 0.29 2.23 0.20 0.40 -2.41 118.68 134.84 3d5b s LEU 95 Ca 1.05 -0.16 -0.30 0.00 0.69 0.00 0.00 54.13 55.41 3d5b s LEU 95 Cb -0.37 -2.96 -0.13 0.00 -0.43 0.00 0.00 46.19 42.30 3d5b s LEU 95 CO 0.30 -1.39 1.33 -0.38 -0.29 0.00 0.00 176.35 175.93 3d5b n ILE 96 N 6.42 1.50 0.00 6.68 2.08 -0.65 -0.28 119.36 135.10 3d5b n ILE 96 Ca 0.05 -0.37 0.00 0.00 0.56 0.00 0.00 62.75 62.98 3d5b n ILE 96 Cb 0.48 -1.50 0.00 0.00 -0.75 0.00 0.00 39.64 37.87 3d5b n ILE 96 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 3d5b n LYS 97 N 1.28 0.00 -3.46 0.38 4.76 -0.94 -3.29 118.16 116.89 3d5b n LYS 97 Ca 0.08 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.15 3d5b n LYS 97 Cb 0.34 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.46 3d5b n LYS 97 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3d5b s GLU 98 N 0.00 4.13 -0.37 1.97 2.56 0.16 -3.89 118.70 123.25 3d5b s GLU 98 Ca 0.00 0.33 0.07 0.00 0.00 0.00 0.00 54.97 55.36 3d5b s GLU 98 Cb 0.00 -3.34 0.44 0.00 2.00 0.00 0.00 34.13 33.23 3d5b s GLU 98 CO 0.00 0.40 1.14 0.44 -0.56 0.00 0.00 175.26 176.68 3d5b n ILE 99 N 2.88 2.37 -2.62 -3.70 -0.00 -1.26 -0.56 119.36 116.46 3d5b n ILE 99 Ca -0.11 -4.56 -0.43 0.00 -0.00 0.00 0.00 62.75 57.65 3d5b n ILE 99 Cb 0.52 -1.11 -0.02 0.00 -0.00 0.00 0.00 39.64 39.03 3d5b n ILE 99 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3d5b s ARG 100 N -3.56 3.87 0.00 6.28 1.70 -1.22 -4.97 118.95 121.06 3d5b s ARG 100 Ca 0.48 0.78 0.28 0.00 -0.47 0.00 0.00 55.73 56.79 3d5b s ARG 100 Cb 0.40 -3.83 0.99 0.00 -0.57 0.00 0.00 34.95 31.94 3d5b s ARG 100 CO -0.09 -1.17 1.71 0.41 -1.08 0.00 0.00 175.30 175.08