#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wki s LEU 2 N 0.00 -0.58 -0.39 4.03 2.96 -1.26 -5.13 118.68 118.32 1wki s LEU 2 Ca 0.00 0.47 0.02 0.00 -0.22 0.00 0.00 54.13 54.40 1wki s LEU 2 Cb 0.00 2.42 0.15 0.00 0.50 0.00 0.00 46.19 49.26 1wki s LEU 2 CO 0.00 -0.65 0.27 -0.04 -1.32 0.00 0.00 176.35 174.62 1wki s MET 3 N -1.87 0.80 1.14 1.98 -1.94 -1.26 -5.14 119.30 113.01 1wki s MET 3 Ca -0.06 -1.76 -0.19 0.00 -1.71 0.00 0.00 55.69 51.98 1wki s MET 3 Cb -0.00 -1.47 0.27 0.00 2.01 0.00 0.00 34.83 35.63 1wki s MET 3 CO 0.02 -1.29 1.18 -1.25 -0.01 0.00 0.00 175.02 173.68 1wki s PRO 4 N 0.53 -0.78 -0.32 2.03 0.04 -1.26 -5.05 135.00 130.19 1wki s PRO 4 Ca 0.25 -0.23 0.02 0.00 0.04 0.00 0.00 61.00 61.08 1wki s PRO 4 Cb -0.11 -1.66 0.08 0.00 0.04 0.00 0.00 34.50 32.85 1wki s PRO 4 CO -0.08 -3.39 0.02 0.50 0.04 0.00 0.00 177.00 174.09 1wki s ARG 5 N -5.60 1.89 0.32 4.56 3.52 -1.26 -5.08 118.95 117.31 1wki s ARG 5 Ca 0.73 -1.65 -0.05 0.00 -0.13 0.00 0.00 55.73 54.63 1wki s ARG 5 Cb -0.07 -3.18 0.00 0.00 -1.56 0.00 0.00 34.95 30.14 1wki s ARG 5 CO 0.55 -0.82 0.47 1.03 -0.81 0.00 0.00 175.30 175.72 1wki s ARG 6 N 1.04 1.84 0.21 5.12 3.00 -1.26 -5.14 118.95 123.75 1wki s ARG 6 Ca 0.03 -1.66 -0.30 0.00 0.00 0.00 0.00 55.73 53.80 1wki s ARG 6 Cb -0.20 0.45 -0.08 0.00 0.00 0.00 0.00 34.95 35.11 1wki s ARG 6 CO -0.06 -0.76 1.21 1.41 0.00 0.00 0.00 175.30 177.10 1wki s MET 7 N -3.22 4.48 0.03 3.54 1.75 -1.26 -5.04 119.30 119.58 1wki s MET 7 Ca 0.29 1.92 -0.01 0.00 -1.25 0.00 0.00 55.69 56.64 1wki s MET 7 Cb -0.00 -3.22 -0.02 0.00 2.84 0.00 0.00 34.83 34.43 1wki s MET 7 CO 0.18 -0.09 -0.01 0.21 -0.65 0.00 0.00 175.02 174.67 1wki s LYS 8 N -0.46 0.44 1.15 4.11 2.47 -1.26 -5.17 119.74 121.02 1wki s LYS 8 Ca 0.52 -0.79 -0.19 0.00 -1.56 0.00 0.00 55.97 53.95 1wki s LYS 8 Cb -0.34 0.16 0.27 0.00 -1.46 0.00 0.00 37.83 36.46 1wki s LYS 8 CO 0.38 -0.08 1.18 1.52 0.16 0.00 0.00 175.35 178.51 1wki s TYR 9 N -2.29 0.66 0.14 4.03 -0.85 -1.26 -4.98 117.35 112.80 1wki s TYR 9 Ca -0.08 0.40 -0.30 0.00 -0.52 0.00 0.00 57.07 56.56 1wki s TYR 9 Cb -0.04 -3.68 -0.07 0.00 0.38 0.00 0.00 41.96 38.55 1wki s TYR 9 CO -0.04 -3.61 1.19 1.03 -1.52 0.00 0.00 175.55 172.60 1wki s ARG 10 N -5.59 4.48 -0.10 -3.49 3.00 -1.26 -4.97 118.95 111.03 1wki s ARG 10 Ca 0.73 1.82 -0.04 0.00 0.00 0.00 0.00 55.73 58.24 1wki s ARG 10 Cb -0.07 -3.28 -0.03 0.00 0.00 0.00 0.00 34.95 31.57 1wki s ARG 10 CO 0.55 -0.12 0.12 -0.22 0.00 0.00 0.00 175.30 175.63 1wki h LYS 11 N 5.74 -0.05 -5.32 3.54 3.11 -2.08 -3.44 116.57 118.09 1wki h LYS 11 Ca -0.43 0.00 -0.63 0.00 -2.81 0.00 0.00 60.65 56.78 1wki h LYS 11 Cb 1.21 0.01 -0.14 0.00 -1.00 0.00 0.00 32.23 32.31 1wki h LYS 11 CO 0.77 0.04 -0.01 -0.65 -2.81 0.00 0.00 179.45 176.78 1wki s GLN 12 N -1.78 3.79 -0.29 1.90 -0.21 -1.26 -5.03 119.66 116.78 1wki s GLN 12 Ca -0.02 0.04 -0.29 0.00 0.02 0.00 0.00 55.36 55.11 1wki s GLN 12 Cb -0.00 -3.75 -0.00 0.00 1.00 0.00 0.00 33.01 30.25 1wki s GLN 12 CO 0.07 -0.55 1.37 -1.14 -2.12 0.00 0.00 175.29 172.92 1wki s GLN 13 N 2.41 3.87 -0.43 2.91 2.00 -1.26 -4.99 119.66 124.18 1wki s GLN 13 Ca 0.20 1.31 -0.12 0.00 -2.00 0.00 0.00 55.36 54.76 1wki s GLN 13 Cb -0.15 -3.92 0.06 0.00 0.80 0.00 0.00 33.01 29.80 1wki s GLN 13 CO 0.12 -1.18 0.30 0.50 -0.50 0.00 0.00 175.29 174.52 1wki s ARG 14 N 4.32 2.81 -0.38 1.67 3.52 -1.26 -4.99 118.95 124.63 1wki s ARG 14 Ca 0.60 -1.30 0.06 0.00 -0.13 0.00 0.00 55.73 54.95 1wki s ARG 14 Cb -0.18 -3.90 0.17 0.00 -1.56 0.00 0.00 34.95 29.48 1wki s ARG 14 CO 0.25 -0.91 0.54 0.20 -0.81 0.00 0.00 175.30 174.57 1wki s GLY 15 N 2.11 -0.86 0.55 8.12 0.00 -1.26 -5.16 107.32 110.83 1wki s GLY 15 Ca 0.03 -0.08 0.04 0.00 0.00 0.00 0.00 44.72 44.71 1wki s GLY 15 CO 0.05 3.36 0.76 0.54 0.00 0.00 0.00 173.10 177.81 1wki n ARG 16 N 4.49 0.36 -3.54 2.90 1.74 -1.26 -5.11 116.66 116.24 1wki n ARG 16 Ca 0.10 -2.51 -0.29 0.00 -0.77 0.00 0.00 57.85 54.38 1wki n ARG 16 Cb 0.53 -0.37 -0.15 0.00 -1.02 0.00 0.00 32.46 31.45 1wki n ARG 16 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1wki s LEU 17 N 0.00 0.52 -0.27 0.55 1.98 -1.26 -4.98 118.68 115.22 1wki s LEU 17 Ca 0.54 -1.24 0.09 0.00 -2.89 0.00 0.00 54.13 50.62 1wki s LEU 17 Cb -0.04 -0.33 0.65 0.00 0.66 0.00 0.00 46.19 47.13 1wki s LEU 17 CO 0.35 -0.43 1.64 2.29 -1.89 0.00 0.00 176.35 178.31 1wki n LYS 18 N 5.25 3.50 -2.46 1.98 2.85 -1.26 -4.97 118.16 123.06 1wki n LYS 18 Ca -0.06 -2.63 -0.40 0.00 -1.05 0.00 0.00 58.31 54.17 1wki n LYS 18 Cb 0.42 -2.10 -0.04 0.00 -0.65 0.00 0.00 35.03 32.66 1wki n LYS 18 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1wki s GLY 19 N -0.76 3.07 0.61 2.58 0.00 -1.26 -5.03 107.32 106.52 1wki s GLY 19 Ca 0.47 0.91 -0.11 0.00 0.00 0.00 0.00 44.72 45.99 1wki s GLY 19 CO 0.12 1.52 1.02 0.00 0.00 0.00 0.00 173.10 175.75 1wki s ALA 20 N -1.16 3.11 0.15 3.20 0.00 -1.26 -4.91 121.76 120.88 1wki s ALA 20 Ca 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.32 1wki s ALA 20 Cb -0.32 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1wki s ALA 20 CO 0.42 -0.64 0.00 0.25 0.00 0.00 0.00 175.76 175.78 1wki n THR 21 N -2.65 0.00 -2.30 0.00 -2.24 -1.26 -4.99 114.28 100.85 1wki n THR 21 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1wki n THR 21 Cb 0.54 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 1wki n THR 21 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1wki n LYS 22 N -2.23 -5.19 0.00 -0.78 4.76 -1.26 -5.07 118.16 108.39 1wki n LYS 22 Ca 0.00 3.76 0.00 0.00 -2.87 0.00 0.00 58.31 59.21 1wki n LYS 22 Cb 0.29 -4.62 0.00 0.00 -1.84 0.00 0.00 35.03 28.86 1wki n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wki n GLY 23 N 1.82 -1.84 0.00 0.72 0.00 -1.26 -5.08 105.19 99.55 1wki n GLY 23 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 46.02 47.01 1wki n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wki n GLY 24 N 0.00 0.87 3.24 -0.02 0.00 -1.26 -5.17 105.19 102.85 1wki n GLY 24 Ca 0.00 0.55 -0.29 0.00 0.00 0.00 0.00 46.02 46.28 1wki n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wki n ASP 25 N 0.00 -2.61 -3.15 1.61 5.75 -1.26 -5.04 116.55 111.85 1wki n ASP 25 Ca 0.00 -0.26 0.04 0.00 -0.01 0.00 0.00 54.79 54.56 1wki n ASP 25 Cb 0.00 -0.95 -0.01 0.00 -1.03 0.00 0.00 41.12 39.13 1wki n ASP 25 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1wki s TYR 26 N -2.21 -1.41 0.02 2.11 6.14 -1.26 -5.04 117.35 115.70 1wki s TYR 26 Ca 0.54 1.50 -0.01 0.00 0.64 0.00 0.00 57.07 59.74 1wki s TYR 26 Cb -0.12 0.50 0.03 0.00 0.42 0.00 0.00 41.96 42.78 1wki s TYR 26 CO 0.59 -0.77 0.14 0.28 0.64 0.00 0.00 175.55 176.43 1wki n VAL 27 N 5.44 -0.05 0.00 3.14 0.31 -1.26 -4.69 118.33 121.22 1wki n VAL 27 Ca -0.02 0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 1wki n VAL 27 Cb 0.52 -0.28 0.00 0.00 -0.91 0.00 0.00 33.84 33.16 1wki n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wki n ALA 28 N -3.96 0.00 -2.70 3.52 0.00 -1.26 -4.76 120.51 111.35 1wki n ALA 28 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.22 1wki n ALA 28 Cb 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.42 1wki n ALA 28 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1wki s PHE 29 N 0.00 2.84 0.11 0.00 0.08 -1.26 -5.02 117.98 114.74 1wki s PHE 29 Ca 0.00 -0.18 0.00 0.00 0.12 0.00 0.00 56.93 56.87 1wki s PHE 29 Cb 0.00 -1.28 0.00 0.00 -0.57 0.00 0.00 43.02 41.17 1wki s PHE 29 CO 0.00 0.58 0.00 0.41 -0.10 0.00 0.00 175.22 176.11 1wki n GLY 30 N -0.89 -3.67 0.37 4.36 0.00 -1.26 -4.68 105.19 99.42 1wki n GLY 30 Ca -0.07 -0.89 0.19 0.00 0.00 0.00 0.00 46.02 45.24 1wki n GLY 30 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wki h ASP 31 N 0.68 0.00 -2.63 1.61 3.32 -0.03 -3.41 116.42 115.96 1wki h ASP 31 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 1wki h ASP 31 Cb 0.00 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.42 1wki h ASP 31 CO 0.00 0.00 -0.59 -0.31 -1.72 0.00 0.00 179.24 176.62 1wki s TYR 32 N -4.85 2.09 -0.24 4.55 2.02 -0.23 -1.56 117.35 119.12 1wki s TYR 32 Ca -0.05 -0.91 -0.19 0.00 -0.37 0.00 0.00 57.07 55.55 1wki s TYR 32 Cb 0.18 -1.42 0.07 0.00 -0.40 0.00 0.00 41.96 40.38 1wki s TYR 32 CO 0.65 0.11 0.63 0.20 -1.57 0.00 0.00 175.55 175.56 1wki s GLY 33 N -3.58 -0.51 -0.43 0.71 0.00 0.29 -2.38 107.32 101.42 1wki s GLY 33 Ca 0.33 1.96 -0.20 0.00 0.00 0.00 0.00 44.72 46.81 1wki s GLY 33 CO 0.15 1.84 0.62 -2.27 0.00 0.00 0.00 173.10 173.44 1wki s LEU 34 N 0.88 4.51 0.03 0.66 1.98 0.13 -1.22 118.68 125.64 1wki s LEU 34 Ca -0.04 -0.32 -0.05 0.00 -2.89 0.00 0.00 54.13 50.82 1wki s LEU 34 Cb -0.05 -2.70 -0.05 0.00 0.66 0.00 0.00 46.19 44.06 1wki s LEU 34 CO -0.07 -0.74 0.27 0.54 -1.89 0.00 0.00 176.35 174.46 1wki s VAL 35 N 2.73 5.31 -0.32 1.68 0.11 -0.61 -0.57 120.40 128.73 1wki s VAL 35 Ca 0.22 0.05 -0.14 0.00 -2.93 0.00 0.00 61.98 59.18 1wki s VAL 35 Cb -0.14 -3.58 -0.02 0.00 -1.53 0.00 0.00 36.38 31.10 1wki s VAL 35 CO 0.18 0.29 0.29 0.00 -3.33 0.00 0.00 175.10 172.54 1wki s ALA 36 N -1.37 3.51 -0.75 1.54 0.00 0.01 -1.67 121.76 123.03 1wki s ALA 36 Ca 0.30 -1.19 0.09 0.00 0.00 0.00 0.00 51.96 51.16 1wki s ALA 36 Cb -0.13 -2.70 0.48 0.00 0.00 0.00 0.00 23.12 20.77 1wki s ALA 36 CO 0.19 -0.90 1.26 1.28 0.00 0.00 0.00 175.76 177.59 1wki n LEU 37 N 5.23 3.63 -3.62 0.00 4.77 0.31 0.14 117.00 127.46 1wki n LEU 37 Ca -0.11 -1.84 -0.12 0.00 -0.03 0.00 0.00 56.01 53.91 1wki n LEU 37 Cb 0.50 -0.57 -0.07 0.00 -2.33 0.00 0.00 43.42 40.96 1wki n LEU 37 CO 0.37 0.49 0.59 -0.70 -1.33 0.00 0.00 177.39 176.81 1wki s GLU 38 N -1.96 0.70 0.35 3.23 2.12 -1.25 -4.69 118.70 117.19 1wki s GLU 38 Ca 0.32 0.67 -0.29 0.00 0.36 0.00 0.00 54.97 56.04 1wki s GLU 38 Cb 0.24 0.34 -0.11 0.00 0.26 0.00 0.00 34.13 34.85 1wki s GLU 38 CO 0.11 -0.12 1.50 -2.14 -0.54 0.00 0.00 175.26 174.07 1wki s PRO 39 N 0.01 4.14 0.18 4.30 0.02 -1.26 -4.52 135.00 137.88 1wki s PRO 39 Ca 0.00 2.53 -0.24 0.00 0.02 0.00 0.00 61.00 63.32 1wki s PRO 39 Cb -0.04 -3.00 0.06 0.00 0.02 0.00 0.00 34.50 31.55 1wki s PRO 39 CO -0.01 -0.52 0.95 0.00 -0.33 0.00 0.00 177.00 177.08 1wki s ALA 40 N -0.79 -1.56 -0.31 -1.55 0.00 -1.17 -4.88 121.76 111.49 1wki s ALA 40 Ca 0.55 -0.04 -0.02 0.00 0.00 0.00 0.00 51.96 52.46 1wki s ALA 40 Cb -0.46 0.68 0.06 0.00 0.00 0.00 0.00 23.12 23.40 1wki s ALA 40 CO 0.58 -1.05 0.03 -1.58 0.00 0.00 0.00 175.76 173.74 1wki s TRP 41 N -3.07 3.32 -0.32 0.00 0.51 -1.26 -1.55 118.94 116.57 1wki s TRP 41 Ca 0.14 -1.99 -0.25 0.00 -2.12 0.00 0.00 56.10 51.88 1wki s TRP 41 Cb -0.02 -2.28 0.01 0.00 -0.81 0.00 0.00 33.47 30.37 1wki s TRP 41 CO 0.04 -0.83 0.88 0.42 -0.51 0.00 0.00 176.95 176.95 1wki s ILE 42 N 1.22 4.69 0.92 2.03 -1.09 -1.08 -4.77 121.20 123.12 1wki s ILE 42 Ca -0.03 1.33 -0.14 0.00 -2.23 0.00 0.00 60.65 59.58 1wki s ILE 42 Cb -0.20 -4.24 0.16 0.00 -1.58 0.00 0.00 42.46 36.60 1wki s ILE 42 CO -0.02 -0.34 1.24 0.42 -1.23 0.00 0.00 174.94 175.01 1wki s THR 43 N 3.20 1.97 0.18 2.92 -4.23 -1.26 -0.80 115.64 117.61 1wki s THR 43 Ca 0.36 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.75 1wki s THR 43 Cb -0.13 -2.94 0.08 0.00 1.34 0.00 0.00 72.50 70.84 1wki s THR 43 CO 0.14 0.00 1.80 0.00 -0.54 0.00 0.00 174.62 176.02 1wki h ALA 44 N -1.49 0.74 -0.82 3.99 0.00 -1.97 -2.73 119.26 116.98 1wki h ALA 44 Ca -0.46 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1wki h ALA 44 Cb 1.28 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1wki h ALA 44 CO 0.50 0.24 0.52 1.96 0.00 0.00 0.00 179.25 182.47 1wki h GLN 45 N 0.78 1.09 -0.52 0.00 1.08 -1.95 -2.19 115.11 113.39 1wki h GLN 45 Ca 0.21 -0.08 0.03 0.00 -1.45 0.00 0.00 58.65 57.36 1wki h GLN 45 Cb 0.01 -0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 27.17 1wki h GLN 45 CO -0.04 0.74 0.35 1.96 -0.95 0.00 0.00 178.83 180.89 1wki h GLN 46 N 1.11 0.57 -0.02 1.46 4.20 -1.85 2.55 115.11 123.13 1wki h GLN 46 Ca 0.30 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 1wki h GLN 46 Cb -0.10 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.56 1wki h GLN 46 CO -0.06 0.38 -0.04 0.82 -0.67 0.00 0.00 178.83 179.25 1wki h ILE 47 N 0.59 1.46 0.06 2.54 2.04 -1.28 -2.60 117.51 120.32 1wki h ILE 47 Ca 0.21 -1.43 -0.14 0.00 1.00 0.00 0.00 64.86 64.50 1wki h ILE 47 Cb 0.11 2.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 1wki h ILE 47 CO -0.06 0.38 -0.70 -0.08 0.00 0.00 0.00 178.15 177.69 1wki h GLU 48 N -0.51 0.12 -0.50 2.37 4.81 -1.10 -2.97 114.58 116.81 1wki h GLU 48 Ca -0.00 -0.20 0.07 0.00 -0.13 0.00 0.00 59.36 59.10 1wki h GLU 48 Cb 0.64 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.04 1wki h GLU 48 CO 0.01 1.10 0.15 0.00 -0.73 0.00 0.00 179.01 179.54 1wki h ALA 49 N -0.08 0.59 -0.51 2.92 0.00 0.43 0.06 119.26 122.67 1wki h ALA 49 Ca -0.16 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1wki h ALA 49 Cb 1.36 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1wki h ALA 49 CO 0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 179.25 178.97 1wki h ALA 50 N 1.35 0.70 -0.73 0.00 0.00 -1.49 -2.84 119.26 116.25 1wki h ALA 50 Ca 0.24 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1wki h ALA 50 Cb 0.28 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1wki h ALA 50 CO -0.27 0.55 0.47 0.00 0.00 0.00 0.00 179.25 180.00 1wki h ARG 51 N 0.80 0.93 -0.13 0.00 3.08 -1.20 -1.83 114.38 116.03 1wki h ARG 51 Ca 0.14 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.15 1wki h ARG 51 Cb 0.58 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1wki h ARG 51 CO 0.03 0.61 0.02 0.28 -1.07 0.00 0.00 179.97 179.84 1wki h VAL 52 N 0.96 0.93 -0.88 2.04 2.07 -0.88 0.21 116.25 120.70 1wki h VAL 52 Ca 0.28 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.81 1wki h VAL 52 Cb -0.07 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 1wki h VAL 52 CO -0.08 0.01 0.58 0.00 0.02 0.00 0.00 177.57 178.10 1wki h ALA 53 N 1.10 1.47 -0.05 1.67 0.00 -1.24 -1.50 119.26 120.70 1wki h ALA 53 Ca 0.06 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1wki h ALA 53 Cb 0.06 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1wki h ALA 53 CO -0.08 0.44 -0.10 0.52 0.00 0.00 0.00 179.25 180.03 1wki h MET 54 N 1.07 0.16 -0.62 0.00 2.07 -0.78 -2.54 114.93 114.29 1wki h MET 54 Ca 0.35 -0.10 0.09 0.00 -2.07 0.00 0.00 59.70 57.97 1wki h MET 54 Cb 0.06 0.01 -0.04 0.00 -1.87 0.00 0.00 31.60 29.76 1wki h MET 54 CO -0.11 0.67 0.41 0.28 1.07 0.00 0.00 176.91 179.24 1wki h VAL 55 N -0.34 0.93 0.00 -2.22 2.07 -0.30 -0.39 116.25 116.01 1wki h VAL 55 Ca 0.00 -0.17 -0.15 0.00 0.82 0.00 0.00 66.70 67.20 1wki h VAL 55 Cb 0.66 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1wki h VAL 55 CO 0.02 0.09 -0.72 0.03 0.02 0.00 0.00 177.57 177.01 1wki h ARG 56 N 0.50 0.00 0.64 1.57 3.08 -1.25 -3.33 114.38 115.59 1wki h ARG 56 Ca 0.28 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.30 1wki h ARG 56 Cb 0.46 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.51 1wki h ARG 56 CO -0.08 0.72 -0.31 1.25 -1.07 0.00 0.00 179.97 180.48 1wki h HIS 57 N 0.00 -0.80 -0.51 3.04 2.76 -0.63 -3.41 115.15 115.60 1wki h HIS 57 Ca -0.01 -0.02 -0.43 0.00 -2.20 0.00 0.00 60.37 57.72 1wki h HIS 57 Cb 1.31 0.26 -0.06 0.00 1.55 0.00 0.00 27.41 30.48 1wki h HIS 57 CO 0.00 -0.47 1.61 1.19 -1.30 0.00 0.00 177.93 178.97 1wki n PHE 58 N -5.37 0.79 0.03 5.26 3.72 -1.01 -4.75 117.46 116.14 1wki n PHE 58 Ca -0.12 0.22 0.02 0.00 -0.05 0.00 0.00 57.45 57.52 1wki n PHE 58 Cb 0.36 -2.22 0.38 0.00 -0.94 0.00 0.00 39.48 37.06 1wki n PHE 58 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wki h ARG 59 N 14.21 0.45 -1.04 -1.08 3.08 -1.89 -2.09 114.38 126.03 1wki h ARG 59 Ca -0.09 -0.07 -0.50 0.00 0.07 0.00 0.00 59.98 59.39 1wki h ARG 59 Cb 1.25 -0.08 -0.27 0.00 0.08 0.00 0.00 29.97 30.95 1wki h ARG 59 CO 1.32 0.42 0.64 0.54 -1.07 0.00 0.00 179.97 181.82 1wki n ARG 60 N -4.36 2.21 -1.48 0.04 1.74 -1.26 -5.03 116.66 108.52 1wki n ARG 60 Ca 0.01 -2.72 0.12 0.00 -0.77 0.00 0.00 57.85 54.50 1wki n ARG 60 Cb 0.17 -2.06 -0.07 0.00 -1.02 0.00 0.00 32.46 29.48 1wki n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wki n GLY 61 N -0.85 -3.61 3.68 -0.13 0.00 -0.79 -4.97 105.19 98.52 1wki n GLY 61 Ca 0.53 -0.99 0.02 0.00 0.00 0.00 0.00 46.02 45.59 1wki n GLY 61 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wki s GLY 62 N -6.71 -0.37 -0.01 -0.02 0.00 -1.26 -4.64 107.32 94.31 1wki s GLY 62 Ca 0.00 0.59 0.01 0.00 0.00 0.00 0.00 44.72 45.33 1wki s GLY 62 CO 0.00 1.08 -0.04 -1.59 0.00 0.00 0.00 173.10 172.55 1wki s LYS 63 N -2.32 0.43 -0.09 2.90 -2.85 -1.26 -4.96 119.74 111.59 1wki s LYS 63 Ca 0.17 -0.12 0.01 0.00 -1.00 0.00 0.00 55.97 55.04 1wki s LYS 63 Cb 0.04 -0.45 -0.02 0.00 -2.06 0.00 0.00 37.83 35.34 1wki s LYS 63 CO -0.03 0.03 -0.13 0.42 0.10 0.00 0.00 175.35 175.74 1wki s ILE 64 N 0.23 3.11 -0.39 3.79 1.01 -1.26 -3.13 121.20 124.56 1wki s ILE 64 Ca -0.02 -0.67 -0.13 0.00 0.00 0.00 0.00 60.65 59.83 1wki s ILE 64 Cb -0.06 -2.27 0.02 0.00 0.01 0.00 0.00 42.46 40.17 1wki s ILE 64 CO -0.00 0.56 0.26 -0.36 0.00 0.00 0.00 174.94 175.39 1wki s PHE 65 N -0.16 3.24 -0.07 3.97 0.40 0.26 -4.92 117.98 120.70 1wki s PHE 65 Ca -0.00 -0.77 -0.13 0.00 -0.60 0.00 0.00 56.93 55.42 1wki s PHE 65 Cb -0.13 -2.52 -0.05 0.00 0.51 0.00 0.00 43.02 40.83 1wki s PHE 65 CO 0.03 -0.62 0.33 0.42 0.70 0.00 0.00 175.22 176.08 1wki s ILE 66 N 1.62 5.21 -0.08 0.64 -1.09 -1.26 -2.39 121.20 123.85 1wki s ILE 66 Ca 0.04 0.65 0.06 0.00 -2.23 0.00 0.00 60.65 59.16 1wki s ILE 66 Cb -0.19 -3.64 -0.09 0.00 -1.58 0.00 0.00 42.46 36.96 1wki s ILE 66 CO 0.08 0.52 0.01 -1.14 -1.23 0.00 0.00 174.94 173.19 1wki n ARG 67 N 2.45 2.44 -2.00 2.79 3.00 -1.12 -5.02 116.66 119.20 1wki n ARG 67 Ca -0.14 0.00 -0.40 0.00 -0.00 0.00 0.00 57.85 57.32 1wki n ARG 67 Cb 0.53 -1.20 -0.00 0.00 0.00 0.00 0.00 32.46 31.78 1wki n ARG 67 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1wki s ILE 68 N -2.19 2.50 -0.08 5.15 -4.36 -1.26 -5.04 121.20 115.92 1wki s ILE 68 Ca -0.05 0.45 -0.07 0.00 -0.26 0.00 0.00 60.65 60.72 1wki s ILE 68 Cb 0.02 -3.27 0.02 0.00 1.25 0.00 0.00 42.46 40.49 1wki s ILE 68 CO 0.31 0.07 0.22 -0.36 0.24 0.00 0.00 174.94 175.42 1wki s PHE 69 N -1.24 -0.25 -0.45 1.37 0.08 -1.26 -5.06 117.98 111.18 1wki s PHE 69 Ca 0.57 0.60 -0.28 0.00 0.12 0.00 0.00 56.93 57.93 1wki s PHE 69 Cb -0.40 0.07 0.01 0.00 -0.57 0.00 0.00 43.02 42.13 1wki s PHE 69 CO 0.51 -0.13 1.48 -1.25 -0.10 0.00 0.00 175.22 175.74 1wki s PRO 70 N 0.30 3.42 0.00 0.24 0.04 -1.26 -3.96 135.00 133.78 1wki s PRO 70 Ca -0.02 0.85 0.00 0.00 0.04 0.00 0.00 61.00 61.88 1wki s PRO 70 Cb -0.03 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.42 1wki s PRO 70 CO -0.01 -1.76 0.00 -3.47 0.04 0.00 0.00 177.00 171.80 1wki n ASP 71 N 9.41 1.28 -4.77 6.66 -0.08 -0.89 -4.69 116.55 123.47 1wki n ASP 71 Ca 0.16 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 53.07 1wki n ASP 71 Cb 0.48 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.90 1wki n ASP 71 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1wki s LYS 72 N -1.79 4.30 1.06 -0.67 2.20 -0.84 -4.78 119.74 119.21 1wki s LYS 72 Ca 0.00 1.63 -0.15 0.00 -0.36 0.00 0.00 55.97 57.10 1wki s LYS 72 Cb 0.00 -2.76 0.22 0.00 -1.51 0.00 0.00 37.83 33.78 1wki s LYS 72 CO 0.00 -0.05 1.11 -1.25 -0.36 0.00 0.00 175.35 174.81 1wki s PRO 73 N -2.14 -0.07 -0.07 4.03 0.04 -1.26 -0.29 135.00 135.24 1wki s PRO 73 Ca 0.53 0.24 0.02 0.00 0.04 0.00 0.00 61.00 61.84 1wki s PRO 73 Cb -0.26 -1.70 0.01 0.00 0.04 0.00 0.00 34.50 32.59 1wki s PRO 73 CO 0.33 -3.01 -0.14 -0.47 0.04 0.00 0.00 177.00 173.75 1wki s TYR 74 N -3.05 1.61 -0.13 0.56 6.14 -1.01 -4.60 117.35 116.88 1wki s TYR 74 Ca 0.67 -0.62 0.02 0.00 0.64 0.00 0.00 57.07 57.79 1wki s TYR 74 Cb -0.15 -1.16 0.00 0.00 0.42 0.00 0.00 41.96 41.07 1wki s TYR 74 CO 0.56 -0.30 -0.21 0.95 0.64 0.00 0.00 175.55 177.19 1wki s THR 75 N 0.64 2.27 -0.23 4.34 -4.23 -1.26 -1.29 115.64 115.89 1wki s THR 75 Ca -0.15 -0.93 -0.26 0.00 -1.18 0.00 0.00 61.69 59.18 1wki s THR 75 Cb -0.16 -1.91 -0.00 0.00 1.34 0.00 0.00 72.50 71.77 1wki s THR 75 CO 0.04 0.55 0.88 -0.54 -0.54 0.00 0.00 174.62 175.01 1wki s LYS 76 N 0.57 4.22 -0.53 3.99 1.02 -1.26 -5.01 119.74 122.74 1wki s LYS 76 Ca -0.12 1.06 -0.02 0.00 0.02 0.00 0.00 55.97 56.90 1wki s LYS 76 Cb -0.17 -3.63 0.14 0.00 -0.52 0.00 0.00 37.83 33.65 1wki s LYS 76 CO 0.04 -0.51 0.33 0.15 -0.92 0.00 0.00 175.35 174.43 1wki s LYS 77 N 2.80 2.28 0.39 1.68 3.01 -1.26 -5.02 119.74 123.62 1wki s LYS 77 Ca 0.38 -2.24 -0.06 0.00 -1.01 0.00 0.00 55.97 53.04 1wki s LYS 77 Cb -0.15 -3.64 0.09 0.00 -1.01 0.00 0.00 37.83 33.11 1wki s LYS 77 CO 0.08 -1.13 0.20 -2.30 0.51 0.00 0.00 175.35 172.71 1wki n PRO 78 N 3.92 -1.34 -3.95 -1.68 -0.02 -1.26 -5.00 135.00 125.67 1wki n PRO 78 Ca 0.04 -0.33 -0.31 0.00 -2.02 0.00 0.00 63.50 60.88 1wki n PRO 78 Cb 0.39 -0.54 -0.05 0.00 -0.02 0.00 0.00 33.50 33.29 1wki n PRO 78 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1wki s LEU 79 N 0.00 4.23 -1.90 2.45 1.43 -1.26 -4.35 118.68 119.28 1wki s LEU 79 Ca 0.15 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 1wki s LEU 79 Cb -0.03 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 43.35 1wki s LEU 79 CO 0.13 0.16 0.00 -0.62 0.23 0.00 0.00 176.35 176.25 1wki n GLU 80 N 0.28 -1.58 -4.75 1.70 4.71 -1.26 -4.98 120.64 114.76 1wki n GLU 80 Ca -0.06 1.07 -0.33 0.00 -0.01 0.00 0.00 57.16 57.83 1wki n GLU 80 Cb 0.51 -5.63 -0.12 0.00 -1.01 0.00 0.00 31.44 25.19 1wki n GLU 80 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 1wki s VAL 81 N -2.95 3.25 -0.22 2.62 -7.23 -1.26 -5.11 120.40 109.50 1wki s VAL 81 Ca 0.00 -0.73 0.02 0.00 -1.81 0.00 0.00 61.98 59.46 1wki s VAL 81 Cb 0.00 -2.32 0.05 0.00 0.56 0.00 0.00 36.38 34.67 1wki s VAL 81 CO 0.00 0.54 -0.10 0.00 -0.31 0.00 0.00 175.10 175.23 1wki s ARG 82 N -0.92 2.10 0.63 4.82 1.70 -1.26 -4.99 118.95 121.03 1wki s ARG 82 Ca 0.13 -1.04 0.00 0.00 -0.47 0.00 0.00 55.73 54.35 1wki s ARG 82 Cb -0.11 -2.62 0.00 0.00 -0.57 0.00 0.00 34.95 31.65 1wki s ARG 82 CO 0.02 -0.49 0.00 -0.12 -1.08 0.00 0.00 175.30 173.63 1wki n MET 83 N 4.59 -3.45 -1.83 3.89 0.00 -1.26 -4.78 117.12 114.28 1wki n MET 83 Ca -0.14 2.82 -0.41 0.00 0.00 0.00 0.00 57.70 59.97 1wki n MET 83 Cb 0.45 -3.96 0.00 0.00 0.00 0.00 0.00 33.22 29.72 1wki n MET 83 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1wki s GLY 84 N -7.11 2.94 -0.15 -5.12 0.00 -1.26 -4.90 107.32 91.72 1wki s GLY 84 Ca 0.00 1.52 0.12 0.00 0.00 0.00 0.00 44.72 46.35 1wki s GLY 84 CO 0.00 2.18 1.44 0.28 0.00 0.00 0.00 173.10 177.00 1wki n LYS 85 N 0.29 3.66 0.00 2.90 4.76 -1.26 -4.82 118.16 123.69 1wki n LYS 85 Ca 0.02 -2.32 0.00 0.00 -2.87 0.00 0.00 58.31 53.14 1wki n LYS 85 Cb 0.40 -1.97 0.00 0.00 -1.84 0.00 0.00 35.03 31.63 1wki n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wki n GLY 86 N 0.64 1.89 3.43 0.72 0.00 -1.26 -5.11 105.19 105.50 1wki n GLY 86 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 1wki n GLY 86 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wki s LYS 87 N -0.85 0.60 -0.18 1.61 2.47 -1.26 -5.16 119.74 116.97 1wki s LYS 87 Ca 0.00 0.76 -0.07 0.00 -1.56 0.00 0.00 55.97 55.10 1wki s LYS 87 Cb 0.00 0.27 0.08 0.00 -1.46 0.00 0.00 37.83 36.71 1wki s LYS 87 CO 0.00 -0.08 0.40 0.20 0.16 0.00 0.00 175.35 176.02 1wki s GLY 88 N 0.44 -0.32 -0.05 5.54 0.00 -1.26 -4.93 107.32 106.74 1wki s GLY 88 Ca -0.01 1.43 0.04 0.00 0.00 0.00 0.00 44.72 46.18 1wki s GLY 88 CO -0.01 2.18 -0.18 0.21 0.00 0.00 0.00 173.10 175.29 1wki s ASN 89 N 2.30 2.29 -0.18 1.64 2.47 -1.26 -5.11 114.94 117.09 1wki s ASN 89 Ca -0.03 -0.38 -0.28 0.00 0.42 0.00 0.00 52.86 52.59 1wki s ASN 89 Cb -0.11 -0.66 -0.00 0.00 -1.45 0.00 0.00 41.25 39.03 1wki s ASN 89 CO -0.12 0.16 0.98 0.54 -3.72 0.00 0.00 177.10 174.94 1wki s VAL 90 N 0.04 4.76 -0.55 -5.21 0.11 -1.26 -4.42 120.40 113.87 1wki s VAL 90 Ca -0.04 1.95 -0.02 0.00 -2.93 0.00 0.00 61.98 60.93 1wki s VAL 90 Cb -0.12 -4.27 0.23 0.00 -1.53 0.00 0.00 36.38 30.68 1wki s VAL 90 CO 0.03 -0.08 2.31 -0.62 -3.33 0.00 0.00 175.10 173.41 1wki n GLU 91 N 5.67 2.39 0.00 1.54 -0.58 -0.41 -4.93 120.64 124.31 1wki n GLU 91 Ca 0.09 -2.60 0.00 0.00 -0.42 0.00 0.00 57.16 54.24 1wki n GLU 91 Cb 0.47 -2.08 0.00 0.00 -0.57 0.00 0.00 31.44 29.27 1wki n GLU 91 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wki n GLY 92 N 0.12 -2.81 3.63 0.62 0.00 -1.26 -4.73 105.19 100.76 1wki n GLY 92 Ca 0.48 -1.70 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 1wki n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wki s TYR 93 N -0.89 3.19 0.31 1.61 1.51 -1.26 -2.40 117.35 119.41 1wki s TYR 93 Ca 0.00 0.05 0.07 0.00 -1.01 0.00 0.00 57.07 56.18 1wki s TYR 93 Cb 0.00 -1.94 -0.06 0.00 -0.11 0.00 0.00 41.96 39.85 1wki s TYR 93 CO 0.00 0.25 -0.05 0.14 -1.11 0.00 0.00 175.55 174.78 1wki s VAL 94 N -0.15 1.77 -0.41 0.71 -7.23 0.60 -4.11 120.40 111.58 1wki s VAL 94 Ca 0.05 -2.13 -0.05 0.00 -1.81 0.00 0.00 61.98 58.04 1wki s VAL 94 Cb -0.12 -2.56 0.10 0.00 0.56 0.00 0.00 36.38 34.35 1wki s VAL 94 CO 0.02 -0.23 0.22 0.00 -0.31 0.00 0.00 175.10 174.79 1wki s ALA 95 N -2.92 3.19 0.24 1.32 0.00 0.02 -2.00 121.76 121.61 1wki s ALA 95 Ca 0.31 -2.34 -0.31 0.00 0.00 0.00 0.00 51.96 49.62 1wki s ALA 95 Cb 0.04 -2.49 -0.12 0.00 0.00 0.00 0.00 23.12 20.56 1wki s ALA 95 CO 0.14 -1.71 1.65 0.28 0.00 0.00 0.00 175.76 176.11 1wki n VAL 96 N 4.74 0.49 -4.34 0.00 0.31 -1.26 -2.65 118.33 115.62 1wki n VAL 96 Ca -0.07 -0.12 -0.19 0.00 -0.01 0.00 0.00 64.34 63.96 1wki n VAL 96 Cb 0.42 -1.93 -0.10 0.00 -0.91 0.00 0.00 33.84 31.32 1wki n VAL 96 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1wki s VAL 97 N 0.58 1.72 0.15 2.52 1.01 -0.59 -4.99 120.40 120.80 1wki s VAL 97 Ca 0.70 -2.18 0.05 0.00 0.00 0.00 0.00 61.98 60.55 1wki s VAL 97 Cb -0.52 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1wki s VAL 97 CO 0.41 -0.58 -0.11 -1.59 0.00 0.00 0.00 175.10 173.23 1wki s LYS 98 N -3.57 1.08 -0.09 2.72 -2.85 -1.26 -3.05 119.74 112.72 1wki s LYS 98 Ca 0.22 -1.42 -0.36 0.00 -1.00 0.00 0.00 55.97 53.40 1wki s LYS 98 Cb -0.01 -0.71 -0.14 0.00 -2.06 0.00 0.00 37.83 34.91 1wki s LYS 98 CO 0.07 0.10 1.73 -2.30 0.10 0.00 0.00 175.35 175.05 1wki n PRO 99 N -0.08 1.76 -1.03 1.78 -0.02 -1.24 -2.40 135.00 133.78 1wki n PRO 99 Ca -0.11 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1wki n PRO 99 Cb 0.60 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1wki n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wki n GLY 100 N 3.98 1.05 3.18 -1.23 0.00 0.37 -4.93 105.19 107.61 1wki n GLY 100 Ca 0.22 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 1wki n GLY 100 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wki s ARG 101 N -2.16 3.10 -0.71 1.61 6.06 -1.01 -4.21 118.95 121.62 1wki s ARG 101 Ca 0.00 -0.78 -0.27 0.00 -2.50 0.00 0.00 55.73 52.18 1wki s ARG 101 Cb 0.00 -2.73 0.03 0.00 0.06 0.00 0.00 34.95 32.31 1wki s ARG 101 CO 0.00 -0.22 1.30 0.08 -2.50 0.00 0.00 175.30 173.96 1wki s VAL 102 N 1.35 3.74 -0.02 7.11 1.01 -1.26 -0.81 120.40 131.51 1wki s VAL 102 Ca 0.05 0.46 0.04 0.00 0.00 0.00 0.00 61.98 62.52 1wki s VAL 102 Cb -0.14 -4.85 -0.25 0.00 0.00 0.00 0.00 36.38 31.15 1wki s VAL 102 CO -0.09 -1.75 0.74 0.24 0.00 0.00 0.00 175.10 174.23 1wki h MET 103 N 10.22 0.13 -5.76 2.72 0.00 -1.21 -3.44 114.93 117.59 1wki h MET 103 Ca -0.28 -0.22 -0.50 0.00 0.00 0.00 0.00 59.70 58.71 1wki h MET 103 Cb 1.06 0.08 -0.14 0.00 0.00 0.00 0.00 31.60 32.59 1wki h MET 103 CO 1.27 0.87 -0.74 -0.06 0.00 0.00 0.00 176.91 178.24 1wki s PHE 104 N -2.61 1.88 -0.28 -0.22 0.40 -1.17 -2.81 117.98 113.17 1wki s PHE 104 Ca -0.09 -0.50 -0.11 0.00 -0.60 0.00 0.00 56.93 55.63 1wki s PHE 104 Cb 0.08 -0.85 0.11 0.00 0.51 0.00 0.00 43.02 42.86 1wki s PHE 104 CO 0.82 0.46 0.64 -1.21 0.70 0.00 0.00 175.22 176.63 1wki s GLU 105 N -3.58 0.59 0.25 0.44 8.01 -1.00 0.19 118.70 123.60 1wki s GLU 105 Ca 0.24 1.35 0.09 0.00 0.01 0.00 0.00 54.97 56.66 1wki s GLU 105 Cb -0.02 0.62 -0.04 0.00 -4.31 0.00 0.00 34.13 30.38 1wki s GLU 105 CO 0.09 -0.19 0.05 0.14 0.01 0.00 0.00 175.26 175.36 1wki s VAL 106 N 2.50 3.76 -0.13 2.63 -7.23 -1.00 0.92 120.40 121.84 1wki s VAL 106 Ca -0.07 -1.72 -0.17 0.00 -1.81 0.00 0.00 61.98 58.21 1wki s VAL 106 Cb -0.10 -3.00 0.04 0.00 0.56 0.00 0.00 36.38 33.88 1wki s VAL 106 CO -0.19 -0.34 0.46 0.00 -0.31 0.00 0.00 175.10 174.72 1wki s ALA 107 N -2.21 -1.14 0.00 1.32 0.00 -1.18 0.75 121.76 119.30 1wki s ALA 107 Ca 0.31 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1wki s ALA 107 Cb -0.07 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.52 1wki s ALA 107 CO 0.21 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.14 1wki n GLY 108 N 2.35 2.65 3.79 0.00 0.00 -1.26 -4.13 105.19 108.58 1wki n GLY 108 Ca -0.15 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 1wki n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wki s VAL 109 N -0.68 3.60 1.01 1.61 -7.23 -1.26 -5.04 120.40 112.41 1wki s VAL 109 Ca 0.00 0.71 -0.17 0.00 -1.81 0.00 0.00 61.98 60.71 1wki s VAL 109 Cb 0.00 -3.26 0.25 0.00 0.56 0.00 0.00 36.38 33.94 1wki s VAL 109 CO 0.00 -0.49 0.85 0.35 -0.31 0.00 0.00 175.10 175.50 1wki n THR 110 N -2.36 0.00 -0.02 5.32 -2.24 -1.26 -4.70 114.28 109.02 1wki n THR 110 Ca 0.09 -0.33 -0.17 0.00 -2.27 0.00 0.00 64.05 61.37 1wki n THR 110 Cb 0.53 -1.13 -0.08 0.00 -2.10 0.00 0.00 70.33 67.55 1wki n THR 110 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1wki h GLU 111 N 0.00 0.75 -0.36 -0.78 4.81 -1.97 0.03 114.58 117.06 1wki h GLU 111 Ca -0.33 -0.62 -0.01 0.00 -0.13 0.00 0.00 59.36 58.28 1wki h GLU 111 Cb 1.02 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 1wki h GLU 111 CO 0.21 1.23 0.19 0.93 -0.73 0.00 0.00 179.01 180.84 1wki h GLU 112 N 0.46 0.50 -0.04 1.92 3.07 -1.98 0.59 114.58 119.10 1wki h GLU 112 Ca -0.05 -0.06 -0.25 0.00 -0.50 0.00 0.00 59.36 58.50 1wki h GLU 112 Cb 1.37 -0.10 0.02 0.00 -0.84 0.00 0.00 28.75 29.20 1wki h GLU 112 CO 0.15 0.42 -0.96 1.96 -1.40 0.00 0.00 179.01 179.18 1wki h GLN 113 N 0.45 0.70 -0.09 2.33 4.20 -1.93 -2.34 115.11 118.43 1wki h GLN 113 Ca 0.13 -0.70 -0.02 0.00 0.06 0.00 0.00 58.65 58.12 1wki h GLN 113 Cb 0.07 0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 1wki h GLN 113 CO -0.02 1.29 -0.03 0.00 -0.67 0.00 0.00 178.83 179.39 1wki h ALA 114 N 0.48 0.12 -0.40 3.87 0.00 -0.87 0.83 119.26 123.31 1wki h ALA 114 Ca -0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1wki h ALA 114 Cb 1.61 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1wki h ALA 114 CO 0.19 -0.13 0.16 0.52 0.00 0.00 0.00 179.25 179.99 1wki h MET 115 N -0.17 0.59 -0.09 0.00 2.86 0.10 0.12 114.93 118.35 1wki h MET 115 Ca 0.02 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1wki h MET 115 Cb 0.46 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.02 1wki h MET 115 CO 0.01 0.56 0.00 1.49 1.06 0.00 0.00 176.91 180.03 1wki h GLU 116 N 0.50 0.15 -0.21 1.72 4.81 -1.44 -1.57 114.58 118.53 1wki h GLU 116 Ca 0.13 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1wki h GLU 116 Cb 0.19 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1wki h GLU 116 CO -0.01 0.41 0.05 0.00 -0.73 0.00 0.00 179.01 178.73 1wki h ALA 117 N 0.74 0.22 -0.09 2.92 0.00 -0.76 0.12 119.26 122.41 1wki h ALA 117 Ca 0.02 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1wki h ALA 117 Cb 0.34 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1wki h ALA 117 CO 0.00 -0.37 -0.00 -0.07 0.00 0.00 0.00 179.25 178.81 1wki h LEU 118 N 0.14 0.11 -0.17 0.00 4.07 -0.95 -1.92 115.31 116.59 1wki h LEU 118 Ca 0.09 -0.01 -0.23 0.00 0.08 0.00 0.00 57.88 57.82 1wki h LEU 118 Cb 0.08 -0.03 0.01 0.00 1.08 0.00 0.00 40.66 41.80 1wki h LEU 118 CO -0.11 0.14 -0.87 0.03 -1.08 0.00 0.00 178.44 176.54 1wki h ARG 119 N 0.12 0.62 -0.80 1.13 3.08 -0.22 -3.12 114.38 115.19 1wki h ARG 119 Ca 0.03 -0.57 0.05 0.00 0.07 0.00 0.00 59.98 59.56 1wki h ARG 119 Cb 0.10 0.14 -0.06 0.00 0.08 0.00 0.00 29.97 30.23 1wki h ARG 119 CO 0.00 1.19 0.49 0.82 -1.07 0.00 0.00 179.97 181.40 1wki h ILE 120 N 0.39 1.05 -0.17 2.04 2.04 -0.01 0.15 117.51 123.00 1wki h ILE 120 Ca -0.07 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1wki h ILE 120 Cb 1.50 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1wki h ILE 120 CO 0.17 0.17 0.11 0.00 0.00 0.00 0.00 178.15 178.59 1wki h ALA 121 N 1.37 0.22 0.00 1.87 0.00 -1.49 -2.10 119.26 119.12 1wki h ALA 121 Ca 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1wki h ALA 121 Cb 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1wki h ALA 121 CO -0.16 -0.29 0.00 0.78 0.00 0.00 0.00 179.25 179.58 1wki h GLY 122 N 0.21 0.00 1.00 0.00 0.00 -1.36 -3.09 103.07 99.83 1wki h GLY 122 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.40 1wki h GLY 122 CO -0.01 0.00 0.46 0.84 0.00 0.00 0.00 176.54 177.83 1wki h HIS 123 N 0.00 0.87 -0.10 5.60 6.17 0.00 -1.29 115.15 126.40 1wki h HIS 123 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.10 1wki h HIS 123 Cb 0.52 -0.30 0.00 0.00 2.52 0.00 0.00 27.41 30.15 1wki h HIS 123 CO 0.00 0.55 0.00 0.36 0.71 0.00 0.00 177.93 179.55 1wki n LYS 124 N -4.60 1.56 -2.89 5.26 0.00 -1.17 -4.89 118.16 111.42 1wki n LYS 124 Ca 0.06 -0.84 -0.32 0.00 -0.00 0.00 0.00 58.31 57.22 1wki n LYS 124 Cb 0.02 -1.40 -0.05 0.00 -0.00 0.00 0.00 35.03 33.60 1wki n LYS 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1wki s LEU 125 N -1.68 3.90 -0.10 -5.58 1.43 -0.49 -4.97 118.68 111.19 1wki s LEU 125 Ca 0.34 1.31 0.04 0.00 -1.03 0.00 0.00 54.13 54.78 1wki s LEU 125 Cb 0.18 -4.16 0.28 0.00 0.03 0.00 0.00 46.19 42.51 1wki s LEU 125 CO 0.28 -0.35 1.03 -0.81 0.23 0.00 0.00 176.35 176.73 1wki n PRO 126 N -0.91 2.16 -3.73 1.29 -0.04 -1.26 -4.86 135.00 127.63 1wki n PRO 126 Ca 0.04 -1.10 -0.10 0.00 -0.04 0.00 0.00 63.50 62.30 1wki n PRO 126 Cb 0.54 -1.69 -0.05 0.00 -0.04 0.00 0.00 33.50 32.26 1wki n PRO 126 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1wki s ILE 127 N -1.51 0.08 0.18 0.52 -5.25 -1.26 -4.93 121.20 109.03 1wki s ILE 127 Ca 0.19 -0.82 -0.30 0.00 -0.99 0.00 0.00 60.65 58.73 1wki s ILE 127 Cb 0.15 -1.33 -0.08 0.00 2.95 0.00 0.00 42.46 44.16 1wki s ILE 127 CO 0.05 -0.37 1.14 -0.54 -1.79 0.00 0.00 174.94 173.43 1wki s LYS 128 N -3.84 4.56 0.06 0.37 -0.14 -1.26 -4.91 119.74 114.57 1wki s LYS 128 Ca 0.06 1.78 0.01 0.00 -1.36 0.00 0.00 55.97 56.45 1wki s LYS 128 Cb 0.02 -3.26 -0.03 0.00 -1.68 0.00 0.00 37.83 32.88 1wki s LYS 128 CO -0.09 0.02 -0.06 0.95 -0.76 0.00 0.00 175.35 175.41 1wki s THR 129 N -0.19 0.45 0.07 2.17 -4.23 -1.26 0.11 115.64 112.76 1wki s THR 129 Ca 0.50 -1.44 0.00 0.00 -1.18 0.00 0.00 61.69 59.58 1wki s THR 129 Cb -0.31 -1.03 -0.04 0.00 1.34 0.00 0.00 72.50 72.46 1wki s THR 129 CO 0.36 -0.66 -0.05 -1.59 -0.54 0.00 0.00 174.62 172.14 1wki s LYS 130 N -2.66 0.70 0.08 3.99 -2.85 -0.67 -4.95 119.74 113.39 1wki s LYS 130 Ca -0.02 -1.26 -0.21 0.00 -1.00 0.00 0.00 55.97 53.49 1wki s LYS 130 Cb -0.02 0.03 -0.07 0.00 -2.06 0.00 0.00 37.83 35.71 1wki s LYS 130 CO -0.03 -0.07 0.61 0.42 0.10 0.00 0.00 175.35 176.38 1wki s ILE 131 N -3.75 4.69 -0.11 3.79 -1.09 -1.26 -1.57 121.20 121.90 1wki s ILE 131 Ca 0.09 1.31 -0.08 0.00 -2.23 0.00 0.00 60.65 59.73 1wki s ILE 131 Cb 0.07 -3.95 0.03 0.00 -1.58 0.00 0.00 42.46 37.03 1wki s ILE 131 CO -0.08 0.54 0.27 0.68 -1.23 0.00 0.00 174.94 175.12 1wki s VAL 132 N -1.03 -0.01 0.62 2.92 -7.23 -0.36 -4.96 120.40 110.34 1wki s VAL 132 Ca 0.30 0.04 -0.06 0.00 -1.81 0.00 0.00 61.98 60.45 1wki s VAL 132 Cb -0.20 -0.39 0.02 0.00 0.56 0.00 0.00 36.38 36.37 1wki s VAL 132 CO 0.20 0.02 0.93 -0.60 -0.31 0.00 0.00 175.10 175.34 1wki s ARG 133 N 0.47 2.74 -0.75 4.82 3.52 -1.20 0.10 118.95 128.66 1wki s ARG 133 Ca -0.03 -0.07 -0.10 0.00 -0.13 0.00 0.00 55.73 55.40 1wki s ARG 133 Cb -0.04 -2.25 -0.23 0.00 -1.56 0.00 0.00 34.95 30.87 1wki s ARG 133 CO -0.02 -0.83 1.92 0.54 -0.81 0.00 0.00 175.30 176.10 1wki n ARG 134 N -2.67 0.08 -2.58 5.12 1.74 -0.60 0.12 116.66 117.87 1wki n ARG 134 Ca 0.05 -0.19 -0.09 0.00 -0.77 0.00 0.00 57.85 56.85 1wki n ARG 134 Cb 0.58 -1.49 0.02 0.00 -1.02 0.00 0.00 32.46 30.55 1wki n ARG 134 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1wki n ASP 135 N 7.69 -3.48 -4.07 0.55 -0.08 -1.26 -5.01 116.55 110.89 1wki n ASP 135 Ca 0.49 -0.12 -0.34 0.00 -1.51 0.00 0.00 54.79 53.30 1wki n ASP 135 Cb 0.27 -2.39 -0.12 0.00 2.34 0.00 0.00 41.12 41.22 1wki n ASP 135 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wki s ALA 136 N -2.80 3.29 -0.37 -1.67 0.00 0.32 -5.04 121.76 115.48 1wki s ALA 136 Ca 0.13 -2.90 0.02 0.00 0.00 0.00 0.00 51.96 49.20 1wki s ALA 136 Cb -0.06 -2.39 0.11 0.00 0.00 0.00 0.00 23.12 20.78 1wki s ALA 136 CO 0.16 -1.92 0.13 0.71 0.00 0.00 0.00 175.76 174.84 1wki s TYR 137 N 0.46 2.62 -0.44 0.00 1.51 -1.26 -3.24 117.35 117.00 1wki s TYR 137 Ca 0.13 -2.48 -0.12 0.00 -1.01 0.00 0.00 57.07 53.59 1wki s TYR 137 Cb -0.22 -2.29 0.07 0.00 -0.11 0.00 0.00 41.96 39.42 1wki s TYR 137 CO -0.04 -0.86 0.31 0.34 -1.11 0.00 0.00 175.55 174.19 1wki s ASP 138 N 0.87 5.85 0.72 2.29 2.15 -1.26 -5.07 116.67 122.22 1wki s ASP 138 Ca 0.13 -1.41 -0.15 0.00 0.43 0.00 0.00 52.55 51.55 1wki s ASP 138 Cb -0.20 -2.07 0.03 0.00 -0.30 0.00 0.00 42.92 40.38 1wki s ASP 138 CO -0.11 -0.57 1.18 -1.61 -0.17 0.00 0.00 175.17 173.88 1wki s GLU 139 N 1.52 2.28 -0.44 4.34 2.02 -1.26 -4.99 118.70 122.17 1wki s GLU 139 Ca 0.03 1.65 -0.10 0.00 0.02 0.00 0.00 54.97 56.57 1wki s GLU 139 Cb -0.23 -1.86 0.09 0.00 0.10 0.00 0.00 34.13 32.23 1wki s GLU 139 CO 0.04 -1.70 0.30 0.00 0.02 0.00 0.00 175.26 173.92 1wki s ALA 140 N -2.11 3.35 0.00 5.21 0.00 -1.26 -5.35 121.76 121.60 1wki s ALA 140 Ca 0.72 -2.29 0.00 0.00 0.00 0.00 0.00 51.96 50.38 1wki s ALA 140 Cb -0.26 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.11 1wki s ALA 140 CO 0.45 -1.75 0.00 0.94 0.00 0.00 0.00 175.76 175.39