#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wki n LEU 2 N 0.00 -0.92 -4.62 -0.89 7.94 -1.26 -5.14 117.00 112.11 1wki n LEU 2 Ca 0.00 -1.73 -0.38 0.00 -1.11 0.00 0.00 56.01 52.80 1wki n LEU 2 Cb 0.00 0.83 -0.10 0.00 0.53 0.00 0.00 43.42 44.68 1wki n LEU 2 CO 0.00 1.15 -0.09 -0.32 -1.11 0.00 0.00 177.39 177.02 1wki s MET 3 N 0.03 4.02 1.14 1.96 1.75 -1.26 -5.08 119.30 121.86 1wki s MET 3 Ca 0.03 -0.18 -0.18 0.00 -1.25 0.00 0.00 55.69 54.11 1wki s MET 3 Cb 0.07 -3.62 0.15 0.00 2.84 0.00 0.00 34.83 34.27 1wki s MET 3 CO -0.02 -0.13 0.17 -2.30 -0.65 0.00 0.00 175.02 172.09 1wki n PRO 4 N 4.87 -1.89 -2.80 4.11 -0.02 -1.26 -5.02 135.00 133.00 1wki n PRO 4 Ca -0.12 -0.53 -0.09 0.00 -2.02 0.00 0.00 63.50 60.73 1wki n PRO 4 Cb 0.52 -1.76 0.03 0.00 -0.02 0.00 0.00 33.50 32.26 1wki n PRO 4 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1wki n ARG 5 N -2.60 0.70 -3.56 -0.52 1.74 -1.26 -5.14 116.66 106.03 1wki n ARG 5 Ca 0.01 -1.94 -0.08 0.00 -0.77 0.00 0.00 57.85 55.07 1wki n ARG 5 Cb 0.60 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 30.55 1wki n ARG 5 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1wki s ARG 6 N 0.60 0.57 0.22 5.56 1.81 -1.26 -5.18 118.95 121.28 1wki s ARG 6 Ca 0.32 -0.06 0.07 0.00 -1.72 0.00 0.00 55.73 54.34 1wki s ARG 6 Cb 0.17 0.27 -0.04 0.00 -0.45 0.00 0.00 34.95 34.89 1wki s ARG 6 CO -0.19 -0.22 0.10 1.41 -0.68 0.00 0.00 175.30 175.71 1wki s MET 7 N -2.03 2.66 0.53 3.54 1.75 -1.26 -5.01 119.30 119.48 1wki s MET 7 Ca 0.03 -1.12 0.00 0.00 -1.25 0.00 0.00 55.69 53.35 1wki s MET 7 Cb -0.01 -2.44 0.00 0.00 2.84 0.00 0.00 34.83 35.22 1wki s MET 7 CO -0.04 0.42 0.00 1.17 -0.65 0.00 0.00 175.02 175.92 1wki n LYS 8 N -0.74 -3.90 -4.45 4.11 4.81 -1.26 -5.02 118.16 111.71 1wki n LYS 8 Ca -0.08 2.99 -0.24 0.00 -0.87 0.00 0.00 58.31 60.11 1wki n LYS 8 Cb 0.57 -3.64 -0.10 0.00 0.02 0.00 0.00 35.03 31.88 1wki n LYS 8 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1wki s TYR 9 N -4.83 2.40 -0.37 5.64 5.04 -1.26 -5.12 117.35 118.85 1wki s TYR 9 Ca 0.00 -0.37 -0.05 0.00 -2.44 0.00 0.00 57.07 54.21 1wki s TYR 9 Cb 0.00 -1.17 0.07 0.00 0.35 0.00 0.00 41.96 41.21 1wki s TYR 9 CO 0.00 0.64 0.15 1.03 -1.34 0.00 0.00 175.55 176.03 1wki s ARG 10 N -3.58 2.36 -0.06 4.97 0.52 -1.26 -4.89 118.95 117.02 1wki s ARG 10 Ca 0.31 -1.48 0.03 0.00 -0.52 0.00 0.00 55.73 54.08 1wki s ARG 10 Cb -0.03 -3.50 -0.06 0.00 0.52 0.00 0.00 34.95 31.88 1wki s ARG 10 CO 0.16 -0.86 -0.01 0.36 0.02 0.00 0.00 175.30 174.98 1wki n LYS 11 N 4.71 2.18 -2.53 3.54 2.85 -1.26 -5.03 118.16 122.62 1wki n LYS 11 Ca -0.09 0.01 -0.36 0.00 -1.05 0.00 0.00 58.31 56.82 1wki n LYS 11 Cb 0.43 -1.14 -0.04 0.00 -0.65 0.00 0.00 35.03 33.63 1wki n LYS 11 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1wki s GLN 12 N -2.13 4.10 -0.24 -1.58 -0.21 -1.26 -5.04 119.66 113.30 1wki s GLN 12 Ca -0.05 1.50 -0.02 0.00 0.02 0.00 0.00 55.36 56.81 1wki s GLN 12 Cb 0.02 -2.47 0.02 0.00 1.00 0.00 0.00 33.01 31.57 1wki s GLN 12 CO 0.20 -0.20 -0.07 -0.65 -2.12 0.00 0.00 175.29 172.46 1wki s GLN 13 N -2.61 3.01 0.02 2.91 -1.52 -1.26 -5.10 119.66 115.10 1wki s GLN 13 Ca 0.59 -0.86 0.04 0.00 -1.95 0.00 0.00 55.36 53.18 1wki s GLN 13 Cb -0.21 -2.96 -0.02 0.00 -0.22 0.00 0.00 33.01 29.60 1wki s GLN 13 CO 0.27 -0.33 -0.13 1.03 -0.25 0.00 0.00 175.29 175.88 1wki s ARG 14 N 1.37 0.97 -0.49 2.91 0.52 -1.26 -5.11 118.95 117.85 1wki s ARG 14 Ca 0.02 -0.62 -0.22 0.00 -0.52 0.00 0.00 55.73 54.39 1wki s ARG 14 Cb -0.16 -0.95 0.04 0.00 0.52 0.00 0.00 34.95 34.40 1wki s ARG 14 CO -0.05 0.25 0.79 0.20 0.02 0.00 0.00 175.30 176.51 1wki s GLY 15 N -0.76 1.58 0.12 -3.53 0.00 -1.26 -5.02 107.32 98.45 1wki s GLY 15 Ca 0.03 -1.24 0.02 0.00 0.00 0.00 0.00 44.72 43.53 1wki s GLY 15 CO 0.00 1.78 -0.06 0.50 0.00 0.00 0.00 173.10 175.32 1wki s ARG 16 N 3.32 0.93 -0.88 2.90 0.52 -1.26 -5.08 118.95 119.40 1wki s ARG 16 Ca 0.26 -1.39 -0.25 0.00 -0.52 0.00 0.00 55.73 53.84 1wki s ARG 16 Cb -0.14 -0.30 -0.01 0.00 0.52 0.00 0.00 34.95 35.02 1wki s ARG 16 CO 0.19 -0.02 1.73 -1.17 0.02 0.00 0.00 175.30 176.05 1wki s LEU 17 N -3.09 3.28 -0.27 2.53 1.98 -1.26 -4.78 118.68 117.07 1wki s LEU 17 Ca 0.15 -0.73 0.09 0.00 -2.89 0.00 0.00 54.13 50.75 1wki s LEU 17 Cb 0.05 -2.56 0.67 0.00 0.66 0.00 0.00 46.19 45.01 1wki s LEU 17 CO -0.02 -2.24 1.67 0.29 -1.89 0.00 0.00 176.35 174.15 1wki n LYS 18 N 8.97 3.59 -0.00 1.98 5.02 -1.26 -4.47 118.16 131.98 1wki n LYS 18 Ca 0.32 -2.70 -0.10 0.00 -2.02 0.00 0.00 58.31 53.80 1wki n LYS 18 Cb 0.49 -2.12 -0.08 0.00 -0.02 0.00 0.00 35.03 33.30 1wki n LYS 18 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1wki h GLY 19 N 3.17 -0.12 -5.97 0.72 0.00 -2.05 -3.44 103.07 95.38 1wki h GLY 19 Ca 0.20 0.04 -0.60 0.00 0.00 0.00 0.00 47.33 46.98 1wki h GLY 19 CO 0.62 -0.04 -0.37 0.00 0.00 0.00 0.00 176.54 176.75 1wki s ALA 20 N -3.11 3.63 -0.11 3.60 0.00 -1.26 -4.96 121.76 119.56 1wki s ALA 20 Ca -0.12 -0.52 0.09 0.00 0.00 0.00 0.00 51.96 51.41 1wki s ALA 20 Cb -0.01 -2.31 -0.13 0.00 0.00 0.00 0.00 23.12 20.67 1wki s ALA 20 CO 0.46 0.14 0.03 0.25 0.00 0.00 0.00 175.76 176.64 1wki n THR 21 N 3.45 0.75 -0.54 0.00 -2.24 -1.26 -5.03 114.28 109.42 1wki n THR 21 Ca -0.13 -0.46 -0.29 0.00 -2.27 0.00 0.00 64.05 60.89 1wki n THR 21 Cb 0.52 -0.72 0.23 0.00 -2.10 0.00 0.00 70.33 68.26 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 -2.42 -1.99 0.00 -0.78 4.76 -1.26 -5.04 118.16 111.42 1wki n LYS 22 Ca -0.18 -0.55 0.00 0.00 -2.87 0.00 0.00 58.31 54.71 1wki n LYS 22 Cb 0.85 -2.15 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 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 1.00 1.79 0.00 0.72 0.00 -1.26 -5.13 105.19 102.31 1wki n GLY 23 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 4.89 5.24 3.37 -0.02 0.00 -1.26 -5.17 105.19 112.24 1wki n GLY 24 Ca 0.00 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 45.00 1wki n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wki n ASP 25 N 0.00 -0.54 -3.64 1.61 9.92 -1.23 -5.09 116.55 117.59 1wki n ASP 25 Ca 0.00 -1.33 -0.15 0.00 -0.53 0.00 0.00 54.79 52.78 1wki n ASP 25 Cb 0.00 -0.91 -0.14 0.00 -0.64 0.00 0.00 41.12 39.43 1wki n ASP 25 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1wki s TYR 26 N -3.36 -0.36 0.04 1.24 6.14 -1.26 -5.00 117.35 114.79 1wki s TYR 26 Ca 0.67 0.79 -0.08 0.00 0.64 0.00 0.00 57.07 59.08 1wki s TYR 26 Cb -0.03 -0.13 -0.02 0.00 0.42 0.00 0.00 41.96 42.20 1wki s TYR 26 CO 0.48 -0.38 0.69 0.28 0.64 0.00 0.00 175.55 177.26 1wki n VAL 27 N 5.34 -0.18 0.00 3.14 0.31 -1.26 -4.69 118.33 120.99 1wki n VAL 27 Ca -0.06 1.07 0.00 0.00 -0.01 0.00 0.00 64.34 65.34 1wki n VAL 27 Cb 0.50 -1.36 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 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 -3.06 0.00 -2.63 3.52 0.00 -1.26 -4.80 120.51 112.28 1wki n ALA 28 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.10 1wki n ALA 28 Cb 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.47 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 3.59 0.40 0.00 0.08 -1.26 -4.97 117.98 115.82 1wki s PHE 29 Ca 0.00 0.74 0.00 0.00 0.12 0.00 0.00 56.93 57.79 1wki s PHE 29 Cb 0.00 -2.12 0.00 0.00 -0.57 0.00 0.00 43.02 40.33 1wki s PHE 29 CO 0.00 0.56 0.00 0.41 -0.10 0.00 0.00 175.22 176.09 1wki n GLY 30 N 1.05 -2.36 0.14 4.36 0.00 -1.26 -4.64 105.19 102.48 1wki n GLY 30 Ca -0.10 -1.16 -0.23 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.23 0.66 -1.39 1.61 5.19 -1.02 -3.44 116.42 116.79 1wki h ASP 31 Ca -0.05 -0.93 -0.49 0.00 -0.62 0.00 0.00 57.03 54.95 1wki h ASP 31 Cb 1.21 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 40.49 1wki h ASP 31 CO 0.03 1.76 -0.34 -0.31 -3.12 0.00 0.00 179.24 177.26 1wki s TYR 32 N -2.57 2.58 -0.13 4.55 2.02 -0.16 0.12 117.35 123.76 1wki s TYR 32 Ca -0.15 -0.52 -0.25 0.00 -0.37 0.00 0.00 57.07 55.78 1wki s TYR 32 Cb 0.05 -2.19 0.06 0.00 -0.40 0.00 0.00 41.96 39.48 1wki s TYR 32 CO 0.87 -0.25 0.62 0.20 -1.57 0.00 0.00 175.55 175.42 1wki s GLY 33 N -4.21 -0.49 -0.40 0.71 0.00 0.34 -2.62 107.32 100.65 1wki s GLY 33 Ca 0.49 1.44 -0.11 0.00 0.00 0.00 0.00 44.72 46.54 1wki s GLY 33 CO 0.29 1.14 0.25 -2.27 0.00 0.00 0.00 173.10 172.51 1wki s LEU 34 N -0.51 5.00 0.05 0.66 1.98 0.22 -0.42 118.68 125.66 1wki s LEU 34 Ca -0.06 -1.24 -0.07 0.00 -2.89 0.00 0.00 54.13 49.87 1wki s LEU 34 Cb -0.03 -2.03 -0.05 0.00 0.66 0.00 0.00 46.19 44.75 1wki s LEU 34 CO 0.05 -0.48 0.32 0.54 -1.89 0.00 0.00 176.35 174.90 1wki s VAL 35 N 1.51 5.22 -0.33 1.68 0.11 -0.87 -0.54 120.40 127.18 1wki s VAL 35 Ca 0.02 0.22 -0.15 0.00 -2.93 0.00 0.00 61.98 59.15 1wki s VAL 35 Cb -0.21 -3.60 -0.02 0.00 -1.53 0.00 0.00 36.38 31.02 1wki s VAL 35 CO 0.05 0.29 0.33 0.00 -3.33 0.00 0.00 175.10 172.44 1wki s ALA 36 N -1.39 3.51 -1.48 1.54 0.00 -0.27 -2.01 121.76 121.66 1wki s ALA 36 Ca 0.31 -1.18 0.08 0.00 0.00 0.00 0.00 51.96 51.17 1wki s ALA 36 Cb -0.13 -2.76 0.28 0.00 0.00 0.00 0.00 23.12 20.51 1wki s ALA 36 CO 0.18 -0.97 1.13 1.28 0.00 0.00 0.00 175.76 177.37 1wki n LEU 37 N 5.31 2.08 -3.63 0.00 4.77 0.28 0.13 117.00 125.94 1wki n LEU 37 Ca -0.10 -1.05 -0.14 0.00 -0.03 0.00 0.00 56.01 54.69 1wki n LEU 37 Cb 0.50 -0.35 -0.07 0.00 -2.33 0.00 0.00 43.42 41.17 1wki n LEU 37 CO 0.39 0.39 0.39 -0.70 -1.33 0.00 0.00 177.39 176.53 1wki s GLU 38 N -1.64 0.82 0.17 3.23 2.12 -1.25 -4.63 118.70 117.52 1wki s GLU 38 Ca 0.20 0.90 -0.32 0.00 0.36 0.00 0.00 54.97 56.12 1wki s GLU 38 Cb 0.13 0.40 -0.10 0.00 0.26 0.00 0.00 34.13 34.81 1wki s GLU 38 CO 0.10 -0.11 1.58 -1.25 -0.54 0.00 0.00 175.26 175.04 1wki s PRO 39 N 0.24 4.21 0.30 4.30 0.04 -1.26 -4.50 135.00 138.32 1wki s PRO 39 Ca -0.01 2.39 -0.18 0.00 0.04 0.00 0.00 61.00 63.24 1wki s PRO 39 Cb -0.04 -3.14 0.02 0.00 0.04 0.00 0.00 34.50 31.37 1wki s PRO 39 CO 0.02 -0.62 0.68 0.00 0.04 0.00 0.00 177.00 177.12 1wki s ALA 40 N 1.11 -0.86 -0.35 8.56 0.00 -1.17 -4.95 121.76 124.10 1wki s ALA 40 Ca 0.70 -0.56 -0.05 0.00 0.00 0.00 0.00 51.96 52.06 1wki s ALA 40 Cb -0.44 0.87 0.06 0.00 0.00 0.00 0.00 23.12 23.61 1wki s ALA 40 CO 0.32 -0.98 0.12 -1.58 0.00 0.00 0.00 175.76 173.63 1wki s TRP 41 N -3.58 3.33 -0.31 0.00 0.51 -1.26 -1.60 118.94 116.02 1wki s TRP 41 Ca 0.15 -1.75 -0.26 0.00 -2.12 0.00 0.00 56.10 52.12 1wki s TRP 41 Cb -0.05 -2.50 0.01 0.00 -0.81 0.00 0.00 33.47 30.12 1wki s TRP 41 CO 0.09 -0.81 0.93 0.42 -0.51 0.00 0.00 176.95 177.06 1wki s ILE 42 N 1.32 4.66 0.84 2.03 -1.09 -1.03 -4.71 121.20 123.22 1wki s ILE 42 Ca -0.00 1.45 -0.12 0.00 -2.23 0.00 0.00 60.65 59.75 1wki s ILE 42 Cb -0.21 -4.28 0.10 0.00 -1.58 0.00 0.00 42.46 36.49 1wki s ILE 42 CO 0.00 -0.36 1.17 0.42 -1.23 0.00 0.00 174.94 174.95 1wki s THR 43 N 3.28 2.00 0.21 2.92 -4.23 -1.26 0.13 115.64 118.69 1wki s THR 43 Ca 0.39 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.80 1wki s THR 43 Cb -0.13 -2.94 0.14 0.00 1.34 0.00 0.00 72.50 70.91 1wki s THR 43 CO 0.14 0.00 1.85 0.00 -0.54 0.00 0.00 174.62 176.06 1wki h ALA 44 N -1.17 0.92 -0.97 3.99 0.00 -1.95 -2.23 119.26 117.84 1wki h ALA 44 Ca -0.47 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.46 1wki h ALA 44 Cb 1.33 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 1wki h ALA 44 CO 0.65 0.21 0.63 1.96 0.00 0.00 0.00 179.25 182.70 1wki h GLN 45 N 0.85 1.16 -0.54 0.00 1.08 -1.93 -1.67 115.11 114.06 1wki h GLN 45 Ca 0.28 -0.07 0.03 0.00 -1.45 0.00 0.00 58.65 57.45 1wki h GLN 45 Cb 0.03 -0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 27.17 1wki h GLN 45 CO -0.11 0.77 0.36 1.96 -0.95 0.00 0.00 178.83 180.85 1wki h GLN 46 N 1.20 0.60 -0.01 1.46 1.08 -1.77 2.57 115.11 120.23 1wki h GLN 46 Ca 0.40 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.55 1wki h GLN 46 Cb 0.06 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.35 1wki h GLN 46 CO -0.13 0.40 -0.03 0.82 -0.95 0.00 0.00 178.83 178.93 1wki h ILE 47 N 0.62 1.47 0.07 2.54 2.04 -1.26 -2.69 117.51 120.30 1wki h ILE 47 Ca 0.22 -1.42 -0.16 0.00 1.00 0.00 0.00 64.86 64.49 1wki h ILE 47 Cb 0.10 2.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 1wki h ILE 47 CO -0.06 0.38 -0.81 -0.08 0.00 0.00 0.00 178.15 177.58 1wki h GLU 48 N -0.54 0.15 -0.47 2.37 4.81 -1.13 -3.01 114.58 116.77 1wki h GLU 48 Ca -0.00 -0.26 0.07 0.00 -0.13 0.00 0.00 59.36 59.04 1wki h GLU 48 Cb 0.63 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.05 1wki h GLU 48 CO 0.01 1.13 0.13 0.00 -0.73 0.00 0.00 179.01 179.55 1wki h ALA 49 N -0.06 0.55 -0.42 2.92 0.00 0.43 0.42 119.26 123.10 1wki h ALA 49 Ca -0.18 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1wki h ALA 49 Cb 1.44 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1wki h ALA 49 CO 0.03 -0.27 0.01 0.00 0.00 0.00 0.00 179.25 179.02 1wki h ALA 50 N 1.34 0.56 -0.65 0.00 0.00 -1.51 -2.90 119.26 116.10 1wki h ALA 50 Ca 0.23 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1wki h ALA 50 Cb 0.27 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1wki h ALA 50 CO -0.27 0.34 0.42 0.00 0.00 0.00 0.00 179.25 179.74 1wki h ARG 51 N 0.57 0.82 -0.69 0.00 3.08 -1.27 0.38 114.38 117.26 1wki h ARG 51 Ca 0.12 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.16 1wki h ARG 51 Cb 0.47 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 1wki h ARG 51 CO 0.02 0.54 0.46 0.28 -1.07 0.00 0.00 179.97 180.20 1wki h VAL 52 N 0.84 1.07 0.07 2.04 2.07 -0.83 0.43 116.25 121.94 1wki h VAL 52 Ca 0.25 -0.27 -0.27 0.00 0.82 0.00 0.00 66.70 67.23 1wki h VAL 52 Cb -0.04 0.21 0.02 0.00 -1.52 0.00 0.00 31.29 29.95 1wki h VAL 52 CO -0.08 0.14 -1.13 0.00 0.02 0.00 0.00 177.57 176.53 1wki h ALA 53 N 1.61 0.14 -0.05 1.67 0.00 -1.17 -3.02 119.26 118.45 1wki h ALA 53 Ca 0.28 -0.76 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1wki h ALA 53 Cb 0.13 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1wki h ALA 53 CO -0.08 0.77 -0.08 0.52 0.00 0.00 0.00 179.25 180.37 1wki h MET 54 N 0.25 0.14 -0.89 0.00 2.07 -0.30 -1.85 114.93 114.36 1wki h MET 54 Ca -0.14 -0.09 0.08 0.00 -2.07 0.00 0.00 59.70 57.48 1wki h MET 54 Cb 1.79 0.01 -0.06 0.00 -1.87 0.00 0.00 31.60 31.47 1wki h MET 54 CO 0.21 0.66 0.57 0.28 1.07 0.00 0.00 176.91 179.70 1wki h VAL 55 N -0.36 1.02 0.00 -2.22 2.07 -0.28 -0.86 116.25 115.62 1wki h VAL 55 Ca 0.00 -0.32 -0.15 0.00 0.82 0.00 0.00 66.70 67.05 1wki h VAL 55 Cb 0.65 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1wki h VAL 55 CO 0.02 0.17 -0.71 0.03 0.02 0.00 0.00 177.57 177.10 1wki h ARG 56 N 0.95 0.00 0.27 1.57 3.08 -1.53 -3.28 114.38 115.43 1wki h ARG 56 Ca 0.39 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.43 1wki h ARG 56 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1wki h ARG 56 CO -0.16 0.71 -0.13 1.25 -1.07 0.00 0.00 179.97 180.58 1wki h HIS 57 N 0.00 -0.33 -1.97 3.04 2.76 -0.28 -3.41 115.15 114.96 1wki h HIS 57 Ca -0.01 -0.01 -0.59 0.00 -2.20 0.00 0.00 60.37 57.56 1wki h HIS 57 Cb 1.30 0.11 0.01 0.00 1.55 0.00 0.00 27.41 30.38 1wki h HIS 57 CO 0.00 -0.21 1.32 1.19 -1.30 0.00 0.00 177.93 178.94 1wki n PHE 58 N -5.25 2.15 0.04 5.26 3.72 -1.02 -4.84 117.46 117.51 1wki n PHE 58 Ca -0.10 -0.11 -0.06 0.00 -0.05 0.00 0.00 57.45 57.13 1wki n PHE 58 Cb 0.16 -2.71 -0.11 0.00 -0.94 0.00 0.00 39.48 35.89 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 12.16 0.00 -1.04 -1.08 3.08 -1.89 -3.31 114.38 122.30 1wki h ARG 59 Ca -0.43 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.12 1wki h ARG 59 Cb 1.26 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 31.04 1wki h ARG 59 CO 0.96 0.72 0.63 0.54 -1.07 0.00 0.00 179.97 181.75 1wki n ARG 60 N -3.20 2.21 -1.01 0.04 5.12 -1.26 -5.02 116.66 113.54 1wki n ARG 60 Ca -0.06 -2.70 0.04 0.00 -1.93 0.00 0.00 57.85 53.20 1wki n ARG 60 Cb 0.95 -2.06 -0.02 0.00 -1.16 0.00 0.00 32.46 30.17 1wki n ARG 60 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wki n GLY 61 N -0.84 -3.48 0.00 -0.13 0.00 -1.25 -4.93 105.19 94.56 1wki n GLY 61 Ca 0.53 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1wki n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wki n GLY 62 N -2.66 1.17 3.15 -0.02 0.00 -1.26 -4.50 105.19 101.07 1wki n GLY 62 Ca -0.02 -0.62 -0.20 0.00 0.00 0.00 0.00 46.02 45.17 1wki n GLY 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wki s LYS 63 N -2.00 0.96 0.11 1.61 -2.85 -1.26 -4.93 119.74 111.38 1wki s LYS 63 Ca 0.00 -0.75 0.08 0.00 -1.00 0.00 0.00 55.97 54.30 1wki s LYS 63 Cb 0.00 -0.97 -0.04 0.00 -2.06 0.00 0.00 37.83 34.76 1wki s LYS 63 CO 0.00 0.24 -0.14 0.42 0.10 0.00 0.00 175.35 175.97 1wki s ILE 64 N -0.83 3.10 -0.22 3.79 1.01 -1.26 -3.12 121.20 123.67 1wki s ILE 64 Ca 0.02 -1.39 0.01 0.00 0.00 0.00 0.00 60.65 59.29 1wki s ILE 64 Cb -0.08 -2.44 0.03 0.00 0.01 0.00 0.00 42.46 39.99 1wki s ILE 64 CO 0.01 0.11 -0.15 -0.36 0.00 0.00 0.00 174.94 174.55 1wki s PHE 65 N -1.18 3.00 -0.20 3.97 0.08 0.11 -4.99 117.98 118.77 1wki s PHE 65 Ca 0.20 -1.87 -0.08 0.00 0.12 0.00 0.00 56.93 55.29 1wki s PHE 65 Cb -0.11 -1.95 -0.04 0.00 -0.57 0.00 0.00 43.02 40.36 1wki s PHE 65 CO 0.12 -0.82 0.08 0.42 -0.10 0.00 0.00 175.22 174.92 1wki s ILE 66 N 1.23 4.84 -0.21 0.64 -1.09 -1.26 -2.68 121.20 122.66 1wki s ILE 66 Ca -0.01 -0.01 0.14 0.00 -2.23 0.00 0.00 60.65 58.54 1wki s ILE 66 Cb -0.16 -3.21 0.45 0.00 -1.58 0.00 0.00 42.46 37.96 1wki s ILE 66 CO -0.09 0.42 1.34 0.54 -1.23 0.00 0.00 174.94 175.92 1wki n ARG 67 N 3.91 1.95 -4.96 2.79 5.12 -1.20 -4.98 116.66 119.30 1wki n ARG 67 Ca -0.16 -2.98 -0.29 0.00 -1.93 0.00 0.00 57.85 52.48 1wki n ARG 67 Cb 0.52 -1.72 -0.17 0.00 -1.16 0.00 0.00 32.46 29.93 1wki n ARG 67 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 1wki s ILE 68 N -3.06 1.70 -0.05 0.55 -4.36 -1.26 -5.03 121.20 109.70 1wki s ILE 68 Ca 0.40 -0.81 0.03 0.00 -0.26 0.00 0.00 60.65 60.01 1wki s ILE 68 Cb 0.36 -1.50 0.01 0.00 1.25 0.00 0.00 42.46 42.58 1wki s ILE 68 CO 0.02 0.48 -0.13 -0.36 0.24 0.00 0.00 174.94 175.19 1wki s PHE 69 N 0.48 1.41 -0.43 1.37 0.08 -1.26 -5.02 117.98 114.61 1wki s PHE 69 Ca -0.17 -0.45 -0.27 0.00 0.12 0.00 0.00 56.93 56.16 1wki s PHE 69 Cb -0.17 -1.00 -0.03 0.00 -0.57 0.00 0.00 43.02 41.24 1wki s PHE 69 CO 0.07 -0.21 2.01 -2.14 -0.10 0.00 0.00 175.22 174.85 1wki s PRO 70 N 0.39 2.83 -0.10 0.24 0.02 -1.26 -4.47 135.00 132.66 1wki s PRO 70 Ca -0.09 1.27 -0.04 0.00 0.02 0.00 0.00 61.00 62.15 1wki s PRO 70 Cb -0.13 -4.36 -0.04 0.00 0.02 0.00 0.00 34.50 29.99 1wki s PRO 70 CO 0.03 -2.45 -0.12 -0.40 -0.33 0.00 0.00 177.00 173.72 1wki n ASP 71 N 12.41 0.90 -4.76 2.53 5.75 -0.13 -4.62 116.55 128.64 1wki n ASP 71 Ca 0.26 0.10 -0.41 0.00 -0.01 0.00 0.00 54.79 54.74 1wki n ASP 71 Cb 0.50 -0.27 -0.04 0.00 -1.03 0.00 0.00 41.12 40.28 1wki n ASP 71 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1wki s LYS 72 N -2.18 4.56 0.92 0.11 -0.14 -0.87 -4.78 119.74 117.37 1wki s LYS 72 Ca -0.13 1.89 -0.12 0.00 -1.36 0.00 0.00 55.97 56.25 1wki s LYS 72 Cb 0.05 -3.18 0.14 0.00 -1.68 0.00 0.00 37.83 33.17 1wki s LYS 72 CO 0.17 0.08 1.10 -1.25 -0.76 0.00 0.00 175.35 174.69 1wki s PRO 73 N -1.27 1.05 -0.45 -1.68 0.04 -1.26 0.11 135.00 131.54 1wki s PRO 73 Ca 0.47 0.66 0.02 0.00 0.04 0.00 0.00 61.00 62.19 1wki s PRO 73 Cb -0.34 -1.80 0.13 0.00 0.04 0.00 0.00 34.50 32.54 1wki s PRO 73 CO 0.42 -2.34 0.23 -0.47 0.04 0.00 0.00 177.00 174.88 1wki s TYR 74 N -2.99 2.25 -0.28 0.56 6.14 -1.08 -4.63 117.35 117.31 1wki s TYR 74 Ca 0.64 -2.57 0.03 0.00 0.64 0.00 0.00 57.07 55.81 1wki s TYR 74 Cb -0.18 -2.09 0.07 0.00 0.42 0.00 0.00 41.96 40.18 1wki s TYR 74 CO 0.57 -0.78 -0.07 0.95 0.64 0.00 0.00 175.55 176.86 1wki s THR 75 N 0.28 2.28 -0.02 4.34 -4.23 -1.26 -0.35 115.64 116.67 1wki s THR 75 Ca 0.17 -1.74 0.04 0.00 -1.18 0.00 0.00 61.69 58.98 1wki s THR 75 Cb -0.25 -2.40 -0.01 0.00 1.34 0.00 0.00 72.50 71.19 1wki s THR 75 CO -0.00 -0.14 -0.13 -0.54 -0.54 0.00 0.00 174.62 173.26 1wki s LYS 76 N 1.08 1.20 -0.44 3.99 -0.14 -1.26 -5.08 119.74 119.10 1wki s LYS 76 Ca -0.05 -0.48 0.04 0.00 -1.36 0.00 0.00 55.97 54.12 1wki s LYS 76 Cb -0.20 -1.13 0.12 0.00 -1.68 0.00 0.00 37.83 34.94 1wki s LYS 76 CO -0.05 0.25 0.17 0.15 -0.76 0.00 0.00 175.35 175.11 1wki s LYS 77 N -0.17 1.69 0.39 1.68 3.01 -1.26 -4.96 119.74 120.11 1wki s LYS 77 Ca 0.02 -2.23 0.06 0.00 -1.01 0.00 0.00 55.97 52.81 1wki s LYS 77 Cb -0.07 -3.15 0.78 0.00 -1.01 0.00 0.00 37.83 34.37 1wki s LYS 77 CO 0.00 -1.04 1.99 -1.35 0.51 0.00 0.00 175.35 175.46 1wki h PRO 78 N 7.00 0.52 -6.57 -1.68 0.11 -2.07 -3.43 132.00 125.89 1wki h PRO 78 Ca -0.06 -0.06 -0.52 0.00 0.11 0.00 0.00 66.00 65.47 1wki h PRO 78 Cb 0.95 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 1wki h PRO 78 CO 0.60 0.42 -0.05 -1.17 -0.21 0.00 0.00 178.00 177.59 1wki s LEU 79 N -9.31 4.06 0.75 2.35 2.96 -1.26 -5.08 118.68 113.14 1wki s LEU 79 Ca -0.08 0.96 -0.12 0.00 -0.22 0.00 0.00 54.13 54.67 1wki s LEU 79 Cb 0.17 -3.76 0.04 0.00 0.50 0.00 0.00 46.19 43.14 1wki s LEU 79 CO 0.74 -0.19 1.11 -0.70 -1.32 0.00 0.00 176.35 175.99 1wki s GLU 80 N -3.24 2.45 -0.24 1.98 2.12 -1.26 -4.96 118.70 115.56 1wki s GLU 80 Ca 0.48 0.46 -0.29 0.00 0.36 0.00 0.00 54.97 55.99 1wki s GLU 80 Cb -0.11 -1.97 -0.03 0.00 0.26 0.00 0.00 34.13 32.28 1wki s GLU 80 CO 0.25 -1.32 1.82 0.14 -0.54 0.00 0.00 175.26 175.60 1wki s VAL 81 N -3.33 3.44 0.00 3.70 -7.23 -1.26 -4.74 120.40 110.98 1wki s VAL 81 Ca 0.60 0.48 0.00 0.00 -1.81 0.00 0.00 61.98 61.24 1wki s VAL 81 Cb -0.12 -3.51 0.00 0.00 0.56 0.00 0.00 36.38 33.31 1wki s VAL 81 CO 0.52 -0.26 0.00 0.54 -0.31 0.00 0.00 175.10 175.59 1wki n ARG 82 N 8.12 0.00 -3.80 4.82 3.00 -1.26 -5.04 116.66 122.49 1wki n ARG 82 Ca 0.22 0.00 -0.36 0.00 -0.01 0.00 0.00 57.85 57.71 1wki n ARG 82 Cb 0.45 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.79 1wki n ARG 82 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.63 179.04 1wki s MET 83 N -0.81 1.99 0.00 5.56 1.75 -1.26 -4.94 119.30 121.59 1wki s MET 83 Ca 0.00 -1.79 0.00 0.00 -1.25 0.00 0.00 55.69 52.65 1wki s MET 83 Cb 0.00 -3.53 0.00 0.00 2.84 0.00 0.00 34.83 34.14 1wki s MET 83 CO 0.00 -1.03 0.00 0.41 -0.65 0.00 0.00 175.02 173.75 1wki n GLY 84 N 4.57 2.86 1.50 2.11 0.00 -1.26 -4.98 105.19 109.99 1wki n GLY 84 Ca -0.02 -0.92 0.06 0.00 0.00 0.00 0.00 46.02 45.13 1wki n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wki n LYS 85 N 0.00 3.76 0.00 1.61 4.76 -1.26 -4.85 118.16 122.18 1wki n LYS 85 Ca 0.00 -2.41 0.00 0.00 -2.87 0.00 0.00 58.31 53.03 1wki n LYS 85 Cb 0.00 -1.99 0.00 0.00 -1.84 0.00 0.00 35.03 31.20 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 0.67 1.58 0.98 0.72 0.00 -1.26 -5.11 105.19 102.77 1wki n GLY 86 Ca 0.21 0.44 -0.00 0.00 0.00 0.00 0.00 46.02 46.68 1wki n GLY 86 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wki n LYS 87 N 0.00 0.00 0.00 1.61 5.02 -1.26 -5.12 118.16 118.41 1wki n LYS 87 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1wki n LYS 87 Cb 0.00 -0.13 0.00 0.00 -0.02 0.00 0.00 35.03 34.88 1wki n LYS 87 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wki n GLY 88 N 3.44 1.36 2.76 0.72 0.00 -1.26 -5.05 105.19 107.17 1wki n GLY 88 Ca -0.00 -0.92 -0.08 0.00 0.00 0.00 0.00 46.02 45.02 1wki n GLY 88 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wki n ASN 89 N 0.00 -5.08 -4.74 1.61 2.85 -1.26 -4.87 115.26 103.78 1wki n ASN 89 Ca 0.00 0.21 -0.41 0.00 -0.11 0.00 0.00 54.58 54.27 1wki n ASN 89 Cb 0.00 -1.27 -0.05 0.00 1.24 0.00 0.00 39.78 39.70 1wki n ASN 89 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1wki s VAL 90 N -0.90 4.09 -1.18 3.44 0.11 -1.26 -4.94 120.40 119.76 1wki s VAL 90 Ca 0.08 1.92 -0.07 0.00 -2.93 0.00 0.00 61.98 60.98 1wki s VAL 90 Cb -0.01 -4.22 -0.02 0.00 -1.53 0.00 0.00 36.38 30.59 1wki s VAL 90 CO 0.18 0.38 2.83 -0.62 -3.33 0.00 0.00 175.10 174.54 1wki n GLU 91 N 2.04 3.66 -1.37 1.54 -0.58 0.52 -4.93 120.64 121.52 1wki n GLU 91 Ca 0.00 -2.50 0.17 0.00 -0.42 0.00 0.00 57.16 54.41 1wki n GLU 91 Cb 0.47 -2.57 -0.09 0.00 -0.57 0.00 0.00 31.44 28.69 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 2.50 -3.24 3.90 0.62 0.00 -1.26 -4.62 105.19 103.09 1wki n GLY 92 Ca 0.65 -1.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 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 -4.07 3.36 0.27 1.61 1.51 -1.26 -2.65 117.35 116.12 1wki s TYR 93 Ca 0.00 0.88 0.00 0.00 -1.01 0.00 0.00 57.07 56.94 1wki s TYR 93 Cb 0.00 -2.80 -0.03 0.00 -0.11 0.00 0.00 41.96 39.03 1wki s TYR 93 CO 0.00 -0.87 0.28 0.14 -1.11 0.00 0.00 175.55 173.99 1wki s VAL 94 N -3.11 0.00 -0.28 0.71 -7.23 0.12 -3.46 120.40 107.15 1wki s VAL 94 Ca 0.55 -1.86 0.01 0.00 -1.81 0.00 0.00 61.98 58.87 1wki s VAL 94 Cb -0.11 -2.49 0.08 0.00 0.56 0.00 0.00 36.38 34.42 1wki s VAL 94 CO 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 175.28 1wki s ALA 95 N -3.71 2.18 0.19 1.32 0.00 0.12 -0.95 121.76 120.91 1wki s ALA 95 Ca 0.36 -1.77 -0.32 0.00 0.00 0.00 0.00 51.96 50.23 1wki s ALA 95 Cb 0.03 -1.63 -0.12 0.00 0.00 0.00 0.00 23.12 21.40 1wki s ALA 95 CO 0.18 -1.42 1.73 0.28 0.00 0.00 0.00 175.76 176.53 1wki n VAL 96 N 4.57 0.05 -4.37 0.00 0.31 -1.26 -2.45 118.33 115.18 1wki n VAL 96 Ca -0.06 -0.01 -0.19 0.00 -0.01 0.00 0.00 64.34 64.07 1wki n VAL 96 Cb 0.43 -1.98 -0.10 0.00 -0.91 0.00 0.00 33.84 31.27 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 1.38 1.65 0.16 2.52 1.01 -0.63 -4.99 120.40 121.50 1wki s VAL 97 Ca 0.76 -2.17 0.05 0.00 0.00 0.00 0.00 61.98 60.63 1wki s VAL 97 Cb -0.51 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1wki s VAL 97 CO 0.33 -0.48 -0.11 -0.54 0.00 0.00 0.00 175.10 174.31 1wki s LYS 98 N -3.69 1.11 -0.21 2.72 3.01 -1.26 -3.06 119.74 118.37 1wki s LYS 98 Ca 0.25 -1.48 -0.33 0.00 -1.01 0.00 0.00 55.97 53.40 1wki s LYS 98 Cb 0.01 -0.72 -0.10 0.00 -1.01 0.00 0.00 37.83 36.01 1wki s LYS 98 CO 0.09 0.09 2.06 -2.30 0.51 0.00 0.00 175.35 175.80 1wki n PRO 99 N -0.23 1.75 -0.01 -1.68 -0.02 -1.23 -2.21 135.00 131.37 1wki n PRO 99 Ca -0.10 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1wki n PRO 99 Cb 0.61 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 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 5.40 1.52 3.26 -1.23 0.00 0.34 -4.92 105.19 109.55 1wki n GLY 100 Ca 0.30 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.53 3.25 -0.59 1.61 3.00 -0.94 -3.48 118.95 121.27 1wki s ARG 101 Ca 0.00 -0.70 -0.28 0.00 -1.00 0.00 0.00 55.73 53.75 1wki s ARG 101 Cb 0.00 -2.80 0.02 0.00 0.00 0.00 0.00 34.95 32.17 1wki s ARG 101 CO 0.00 -0.13 1.36 0.08 0.00 0.00 0.00 175.30 176.61 1wki s VAL 102 N 1.22 3.82 -0.11 7.11 1.01 -1.26 -1.11 120.40 131.07 1wki s VAL 102 Ca 0.02 0.68 0.07 0.00 0.00 0.00 0.00 61.98 62.75 1wki s VAL 102 Cb -0.14 -4.54 -0.24 0.00 0.00 0.00 0.00 36.38 31.46 1wki s VAL 102 CO -0.05 -1.28 0.41 0.23 0.00 0.00 0.00 175.10 174.42 1wki n MET 103 N 8.71 0.68 -4.37 2.72 0.00 0.29 -4.79 117.12 120.36 1wki n MET 103 Ca 0.11 0.23 -0.19 0.00 0.00 0.00 0.00 57.70 57.85 1wki n MET 103 Cb 0.49 -1.70 -0.10 0.00 0.00 0.00 0.00 33.22 31.91 1wki n MET 103 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 1wki s PHE 104 N -2.56 1.76 -0.30 2.03 0.40 -1.14 -3.22 117.98 114.94 1wki s PHE 104 Ca -0.13 -0.71 -0.13 0.00 -0.60 0.00 0.00 56.93 55.36 1wki s PHE 104 Cb 0.07 -0.95 0.16 0.00 0.51 0.00 0.00 43.02 42.82 1wki s PHE 104 CO 0.79 0.23 0.91 -1.83 0.70 0.00 0.00 175.22 176.02 1wki s GLU 105 N -3.73 0.35 0.38 0.44 1.03 -1.09 0.71 118.70 116.80 1wki s GLU 105 Ca 0.26 0.86 0.08 0.00 0.03 0.00 0.00 54.97 56.19 1wki s GLU 105 Cb 0.03 0.51 -0.01 0.00 -0.80 0.00 0.00 34.13 33.85 1wki s GLU 105 CO 0.09 -0.15 0.41 0.14 -1.33 0.00 0.00 175.26 174.42 1wki s VAL 106 N 2.59 3.17 -0.27 1.83 -7.23 -1.08 -0.71 120.40 118.71 1wki s VAL 106 Ca -0.02 -1.22 -0.23 0.00 -1.81 0.00 0.00 61.98 58.71 1wki s VAL 106 Cb -0.08 -3.11 0.07 0.00 0.56 0.00 0.00 36.38 33.82 1wki s VAL 106 CO -0.17 -0.07 0.70 0.00 -0.31 0.00 0.00 175.10 175.25 1wki s ALA 107 N -2.36 -1.76 0.00 1.32 0.00 -1.18 -0.35 121.76 117.43 1wki s ALA 107 Ca 0.47 2.08 0.00 0.00 0.00 0.00 0.00 51.96 54.51 1wki s ALA 107 Cb -0.06 -1.21 0.00 0.00 0.00 0.00 0.00 23.12 21.85 1wki s ALA 107 CO 0.29 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.12 1wki n GLY 108 N 3.05 2.95 3.87 0.00 0.00 -1.26 -4.01 105.19 109.79 1wki n GLY 108 Ca -0.15 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.39 4.73 1.16 1.61 -7.23 -1.26 -5.00 120.40 112.01 1wki s VAL 109 Ca 0.00 0.80 -0.16 0.00 -1.81 0.00 0.00 61.98 60.81 1wki s VAL 109 Cb 0.00 -3.86 0.27 0.00 0.56 0.00 0.00 36.38 33.35 1wki s VAL 109 CO 0.00 -1.07 1.06 0.42 -0.31 0.00 0.00 175.10 175.20 1wki s THR 110 N -3.07 1.77 0.12 5.32 -4.23 -1.26 -4.71 115.64 109.57 1wki s THR 110 Ca 0.54 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.93 1wki s THR 110 Cb -0.11 -2.35 -0.07 0.00 1.34 0.00 0.00 72.50 71.30 1wki s THR 110 CO 0.51 0.00 1.43 -0.08 -0.54 0.00 0.00 174.62 175.94 1wki h GLU 111 N -2.49 0.84 -0.54 3.99 4.22 -1.97 0.18 114.58 118.81 1wki h GLU 111 Ca -0.52 -0.47 -0.05 0.00 0.08 0.00 0.00 59.36 58.40 1wki h GLU 111 Cb 1.32 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 1wki h GLU 111 CO 0.45 1.11 0.15 1.49 -2.18 0.00 0.00 179.01 180.03 1wki h GLU 112 N 0.62 0.85 -0.05 1.92 4.81 -1.98 0.49 114.58 121.25 1wki h GLU 112 Ca 0.04 -0.19 -0.24 0.00 -0.13 0.00 0.00 59.36 58.83 1wki h GLU 112 Cb 1.00 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 30.27 1wki h GLU 112 CO 0.10 0.79 -0.94 1.96 -0.73 0.00 0.00 179.01 180.19 1wki h GLN 113 N 0.76 0.66 -0.07 1.92 1.08 -1.92 -2.18 115.11 115.35 1wki h GLN 113 Ca 0.17 -0.65 -0.03 0.00 -1.45 0.00 0.00 58.65 56.69 1wki h GLN 113 Cb 0.31 0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1wki h GLN 113 CO -0.00 1.25 -0.07 0.00 -0.95 0.00 0.00 178.83 179.06 1wki h ALA 114 N 0.54 0.11 -0.36 3.87 0.00 -0.53 0.87 119.26 123.76 1wki h ALA 114 Ca -0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1wki h ALA 114 Cb 1.58 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 1wki h ALA 114 CO 0.18 -0.09 0.18 0.52 0.00 0.00 0.00 179.25 180.04 1wki h MET 115 N -0.24 0.52 -0.08 0.00 2.86 -0.11 0.59 114.93 118.46 1wki h MET 115 Ca 0.01 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1wki h MET 115 Cb 0.56 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 1wki h MET 115 CO 0.02 0.46 0.00 1.49 1.06 0.00 0.00 176.91 179.94 1wki h GLU 116 N 0.45 0.14 -0.23 1.72 4.81 -1.43 -1.62 114.58 118.42 1wki h GLU 116 Ca 0.12 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1wki h GLU 116 Cb 0.11 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1wki h GLU 116 CO -0.02 0.39 0.04 0.00 -0.73 0.00 0.00 179.01 178.69 1wki h ALA 117 N 0.74 0.23 0.00 2.92 0.00 -0.72 0.14 119.26 122.57 1wki h ALA 117 Ca 0.02 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1wki h ALA 117 Cb 0.33 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1wki h ALA 117 CO 0.00 -0.39 -0.03 -0.07 0.00 0.00 0.00 179.25 178.77 1wki h LEU 118 N 0.12 0.00 -0.13 0.00 4.07 -0.85 -1.74 115.31 116.78 1wki h LEU 118 Ca 0.11 0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.83 1wki h LEU 118 Cb 0.11 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.86 1wki h LEU 118 CO -0.15 0.03 -0.89 0.03 -1.08 0.00 0.00 178.44 176.38 1wki h ARG 119 N 0.00 0.68 -0.94 1.13 3.08 -0.14 -3.19 114.38 115.01 1wki h ARG 119 Ca -0.00 -0.63 0.12 0.00 0.07 0.00 0.00 59.98 59.54 1wki h ARG 119 Cb 0.05 0.15 -0.07 0.00 0.08 0.00 0.00 29.97 30.18 1wki h ARG 119 CO 0.00 1.23 0.60 0.82 -1.07 0.00 0.00 179.97 181.56 1wki h ILE 120 N 0.43 0.90 -0.41 2.04 2.04 0.14 0.50 117.51 123.14 1wki h ILE 120 Ca -0.08 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 1wki h ILE 120 Cb 1.52 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1wki h ILE 120 CO 0.17 0.16 0.13 0.00 0.00 0.00 0.00 178.15 178.61 1wki h ALA 121 N 1.57 0.54 0.00 1.87 0.00 -1.51 -2.65 119.26 119.08 1wki h ALA 121 Ca 0.46 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 1wki h ALA 121 Cb 0.55 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1wki h ALA 121 CO -0.22 0.19 -0.23 0.78 0.00 0.00 0.00 179.25 179.76 1wki h GLY 122 N 0.53 0.00 1.62 0.00 0.00 -1.21 -2.89 103.07 101.12 1wki h GLY 122 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.49 1wki h GLY 122 CO -0.00 0.00 0.21 0.45 0.00 0.00 0.00 176.54 177.20 1wki h HIS 123 N 0.00 0.33 -0.02 5.60 -0.00 -0.58 -0.35 115.15 120.13 1wki h HIS 123 Ca -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 1wki h HIS 123 Cb 0.68 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.98 1wki h HIS 123 CO 0.00 0.20 -0.18 0.36 -0.00 0.00 0.00 177.93 178.30 1wki n LYS 124 N -4.49 1.60 -2.65 2.45 2.85 -1.10 -4.94 118.16 111.88 1wki n LYS 124 Ca 0.02 -1.21 -0.30 0.00 -1.05 0.00 0.00 58.31 55.77 1wki n LYS 124 Cb 0.13 -1.48 -0.03 0.00 -0.65 0.00 0.00 35.03 33.01 1wki n LYS 124 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1wki s LEU 125 N -2.23 3.72 -0.15 -5.58 1.43 -0.14 -4.97 118.68 110.75 1wki s LEU 125 Ca 0.27 1.23 0.04 0.00 -1.03 0.00 0.00 54.13 54.65 1wki s LEU 125 Cb 0.20 -4.15 0.35 0.00 0.03 0.00 0.00 46.19 42.62 1wki s LEU 125 CO 0.42 -0.49 1.23 -0.81 0.23 0.00 0.00 176.35 176.93 1wki n PRO 126 N -1.56 2.29 -3.89 1.29 -0.04 -1.26 -4.89 135.00 126.94 1wki n PRO 126 Ca 0.03 -1.44 -0.09 0.00 -0.04 0.00 0.00 63.50 61.96 1wki n PRO 126 Cb 0.54 -1.73 -0.05 0.00 -0.04 0.00 0.00 33.50 32.23 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 -1.70 0.02 0.03 0.52 -5.25 -1.26 -4.93 121.20 108.64 1wki s ILE 127 Ca 0.26 -1.15 -0.28 0.00 -0.99 0.00 0.00 60.65 58.48 1wki s ILE 127 Cb 0.21 -1.89 -0.04 0.00 2.95 0.00 0.00 42.46 43.69 1wki s ILE 127 CO 0.06 -0.11 0.89 -0.75 -1.79 0.00 0.00 174.94 173.24 1wki s LYS 128 N -3.95 4.57 0.03 0.37 2.47 -1.26 -4.91 119.74 117.06 1wki s LYS 128 Ca 0.16 1.28 0.02 0.00 -1.56 0.00 0.00 55.97 55.87 1wki s LYS 128 Cb -0.00 -3.41 -0.02 0.00 -1.46 0.00 0.00 37.83 32.94 1wki s LYS 128 CO 0.03 0.11 -0.08 0.95 0.16 0.00 0.00 175.35 176.52 1wki s THR 129 N 0.47 0.58 0.15 3.43 -4.23 -1.26 0.99 115.64 115.77 1wki s THR 129 Ca 0.46 -0.82 0.05 0.00 -1.18 0.00 0.00 61.69 60.19 1wki s THR 129 Cb -0.21 -0.58 -0.04 0.00 1.34 0.00 0.00 72.50 73.00 1wki s THR 129 CO 0.26 -0.19 -0.11 -1.59 -0.54 0.00 0.00 174.62 172.45 1wki s LYS 130 N -1.11 1.07 0.09 3.99 -2.85 -0.85 -4.95 119.74 115.13 1wki s LYS 130 Ca -0.05 -1.41 -0.25 0.00 -1.00 0.00 0.00 55.97 53.27 1wki s LYS 130 Cb -0.07 -0.73 -0.06 0.00 -2.06 0.00 0.00 37.83 34.90 1wki s LYS 130 CO 0.00 0.11 0.75 0.42 0.10 0.00 0.00 175.35 176.73 1wki s ILE 131 N -3.00 4.61 0.00 3.79 -1.09 -1.26 -2.05 121.20 122.20 1wki s ILE 131 Ca 0.15 1.62 0.00 0.00 -2.23 0.00 0.00 60.65 60.19 1wki s ILE 131 Cb 0.00 -4.10 -0.00 0.00 -1.58 0.00 0.00 42.46 36.78 1wki s ILE 131 CO 0.02 0.43 -0.01 0.68 -1.23 0.00 0.00 174.94 174.83 1wki s VAL 132 N -0.50 0.04 0.57 2.92 -7.23 0.44 -4.96 120.40 111.67 1wki s VAL 132 Ca 0.37 -0.13 -0.04 0.00 -1.81 0.00 0.00 61.98 60.37 1wki s VAL 132 Cb -0.21 -0.06 0.01 0.00 0.56 0.00 0.00 36.38 36.68 1wki s VAL 132 CO 0.24 -0.06 0.85 -0.60 -0.31 0.00 0.00 175.10 175.22 1wki s ARG 133 N -0.19 2.84 -0.82 4.82 3.52 -1.20 0.13 118.95 128.04 1wki s ARG 133 Ca -0.02 -0.22 -0.13 0.00 -0.13 0.00 0.00 55.73 55.23 1wki s ARG 133 Cb -0.01 -2.35 -0.24 0.00 -1.56 0.00 0.00 34.95 30.79 1wki s ARG 133 CO -0.00 -0.66 2.05 0.54 -0.81 0.00 0.00 175.30 176.42 1wki n ARG 134 N -2.48 0.14 -2.34 5.12 1.74 0.33 0.59 116.66 119.76 1wki n ARG 134 Ca 0.04 -0.30 -0.09 0.00 -0.77 0.00 0.00 57.85 56.74 1wki n ARG 134 Cb 0.58 -1.80 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 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 9.30 -3.20 -4.07 0.55 2.03 -1.26 -5.00 116.55 114.90 1wki n ASP 135 Ca 0.52 -0.06 -0.35 0.00 0.52 0.00 0.00 54.79 55.43 1wki n ASP 135 Cb 0.28 -2.32 -0.12 0.00 -0.72 0.00 0.00 41.12 38.24 1wki n ASP 135 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wki s ALA 136 N -2.59 3.30 -0.24 -1.67 0.00 0.20 -5.05 121.76 115.70 1wki s ALA 136 Ca 0.06 -2.91 0.01 0.00 0.00 0.00 0.00 51.96 49.11 1wki s ALA 136 Cb -0.02 -2.41 0.06 0.00 0.00 0.00 0.00 23.12 20.75 1wki s ALA 136 CO 0.07 -1.93 -0.04 0.71 0.00 0.00 0.00 175.76 174.57 1wki s TYR 137 N 0.45 2.34 -0.20 0.00 1.51 -1.26 -3.26 117.35 116.93 1wki s TYR 137 Ca 0.13 -1.76 -0.15 0.00 -1.01 0.00 0.00 57.07 54.28 1wki s TYR 137 Cb -0.22 -1.61 -0.04 0.00 -0.11 0.00 0.00 41.96 39.98 1wki s TYR 137 CO -0.04 -0.78 0.35 0.34 -1.11 0.00 0.00 175.55 174.31 1wki s ASP 138 N 1.41 6.39 0.26 2.29 -1.08 -1.26 -5.06 116.67 119.63 1wki s ASP 138 Ca -0.04 0.46 -0.29 0.00 -0.52 0.00 0.00 52.55 52.16 1wki s ASP 138 Cb -0.19 -2.21 -0.09 0.00 -1.46 0.00 0.00 42.92 38.97 1wki s ASP 138 CO -0.07 -0.02 1.21 -1.61 0.52 0.00 0.00 175.17 175.20 1wki s GLU 139 N 1.10 4.49 -0.51 4.34 2.02 -1.26 -4.99 118.70 123.88 1wki s GLU 139 Ca 0.17 1.98 -0.16 0.00 0.02 0.00 0.00 54.97 56.98 1wki s GLU 139 Cb -0.14 -3.17 0.10 0.00 0.10 0.00 0.00 34.13 31.03 1wki s GLU 139 CO 0.07 -0.04 0.47 0.00 0.02 0.00 0.00 175.26 175.77 1wki s ALA 140 N -0.72 3.60 -2.00 5.21 0.00 -1.26 -5.36 121.76 121.23 1wki s ALA 140 Ca 0.49 -2.34 0.23 0.00 0.00 0.00 0.00 51.96 50.34 1wki s ALA 140 Cb -0.35 -3.20 1.35 0.00 0.00 0.00 0.00 23.12 20.92 1wki s ALA 140 CO 0.43 -1.91 1.73 1.04 0.00 0.00 0.00 175.76 177.05