#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 -7.18 -4.53 -0.89 4.77 -1.26 -5.02 117.00 102.90 1wki n LEU 2 Ca 0.00 1.81 -0.34 0.00 -0.03 0.00 0.00 56.01 57.45 1wki n LEU 2 Cb 0.00 -3.31 -0.12 0.00 -2.33 0.00 0.00 43.42 37.66 1wki n LEU 2 CO 0.00 -3.57 -0.38 0.00 -1.33 0.00 0.00 177.39 172.12 1wki s MET 3 N -1.21 3.18 0.00 3.23 0.23 -1.26 -5.12 119.30 118.34 1wki s MET 3 Ca -0.13 -0.55 0.00 0.00 -1.03 0.00 0.00 55.69 53.98 1wki s MET 3 Cb 0.01 -2.72 0.00 0.00 -1.53 0.00 0.00 34.83 30.59 1wki s MET 3 CO 0.79 0.45 0.00 -0.35 -2.03 0.00 0.00 175.02 173.88 1wki n PRO 4 N 2.86 -0.23 -3.07 3.16 -0.04 -1.26 -5.00 135.00 131.42 1wki n PRO 4 Ca -0.18 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.88 1wki n PRO 4 Cb 0.53 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.93 1wki n PRO 4 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wki s ARG 5 N -2.48 4.19 -0.16 0.54 1.81 -1.26 -5.03 118.95 116.56 1wki s ARG 5 Ca 0.00 0.67 -0.28 0.00 -1.72 0.00 0.00 55.73 54.40 1wki s ARG 5 Cb 0.00 -3.60 0.08 0.00 -0.45 0.00 0.00 34.95 30.97 1wki s ARG 5 CO 0.00 -0.31 0.73 -0.98 -0.68 0.00 0.00 175.30 174.06 1wki s ARG 6 N 2.15 0.92 -0.04 3.54 3.03 -1.26 -5.17 118.95 122.13 1wki s ARG 6 Ca 0.30 0.59 -0.01 0.00 2.03 0.00 0.00 55.73 58.64 1wki s ARG 6 Cb -0.16 0.44 -0.04 0.00 -1.03 0.00 0.00 34.95 34.17 1wki s ARG 6 CO 0.10 -0.21 0.03 1.41 -1.13 0.00 0.00 175.30 175.50 1wki s MET 7 N -0.43 2.96 -0.38 3.89 1.75 -1.26 -5.09 119.30 120.74 1wki s MET 7 Ca -0.05 -0.48 -0.16 0.00 -1.25 0.00 0.00 55.69 53.74 1wki s MET 7 Cb -0.02 -2.79 0.00 0.00 2.84 0.00 0.00 34.83 34.86 1wki s MET 7 CO 0.05 0.67 0.40 0.15 -0.65 0.00 0.00 175.02 175.63 1wki s LYS 8 N -1.33 3.35 -0.60 4.11 1.02 -1.26 -5.00 119.74 120.03 1wki s LYS 8 Ca 0.18 -0.57 0.05 0.00 0.02 0.00 0.00 55.97 55.65 1wki s LYS 8 Cb -0.12 -3.88 0.20 0.00 -0.52 0.00 0.00 37.83 33.51 1wki s LYS 8 CO 0.08 -0.67 0.52 0.66 -0.92 0.00 0.00 175.35 175.02 1wki n TYR 9 N 5.48 2.13 -2.37 3.18 4.01 -1.26 -5.10 117.16 123.23 1wki n TYR 9 Ca -0.08 -4.00 -0.28 0.00 -0.16 0.00 0.00 57.90 53.38 1wki n TYR 9 Cb 0.48 -0.40 0.02 0.00 -0.31 0.00 0.00 39.34 39.13 1wki n TYR 9 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1wki s ARG 10 N -1.35 3.30 -0.11 -0.72 6.06 -1.26 -4.79 118.95 120.08 1wki s ARG 10 Ca 0.31 0.25 -0.08 0.00 -2.50 0.00 0.00 55.73 53.71 1wki s ARG 10 Cb 0.04 -2.26 0.03 0.00 0.06 0.00 0.00 34.95 32.82 1wki s ARG 10 CO -0.14 -0.49 0.16 1.63 -2.50 0.00 0.00 175.30 173.96 1wki n LYS 11 N -2.51 -4.69 -3.05 5.12 4.01 -1.26 -4.99 118.16 110.79 1wki n LYS 11 Ca 0.03 3.50 -0.31 0.00 -0.51 0.00 0.00 58.31 61.02 1wki n LYS 11 Cb 0.56 -4.83 -0.05 0.00 -0.51 0.00 0.00 35.03 30.20 1wki n LYS 11 CO 0.00 0.00 0.00 -1.14 -1.11 0.00 0.00 177.40 175.15 1wki s GLN 12 N -0.68 3.89 0.05 1.97 0.74 -1.26 -5.05 119.66 119.31 1wki s GLN 12 Ca -0.18 0.54 -0.27 0.00 0.05 0.00 0.00 55.36 55.49 1wki s GLN 12 Cb 0.01 -2.44 -0.05 0.00 1.10 0.00 0.00 33.01 31.64 1wki s GLN 12 CO 0.50 0.09 0.87 -0.65 -0.55 0.00 0.00 175.29 175.54 1wki s GLN 13 N -3.34 4.57 -0.30 1.67 -0.21 -1.26 -5.03 119.66 115.76 1wki s GLN 13 Ca 0.52 1.24 0.00 0.00 0.02 0.00 0.00 55.36 57.15 1wki s GLN 13 Cb -0.10 -3.39 0.14 0.00 1.00 0.00 0.00 33.01 30.66 1wki s GLN 13 CO 0.24 0.18 0.32 1.03 -2.12 0.00 0.00 175.29 174.94 1wki s ARG 14 N 0.23 0.37 0.00 2.91 1.81 -1.26 -5.13 118.95 117.88 1wki s ARG 14 Ca 0.44 -0.17 0.00 0.00 -1.72 0.00 0.00 55.73 54.27 1wki s ARG 14 Cb -0.21 -0.60 0.00 0.00 -0.45 0.00 0.00 34.95 33.69 1wki s ARG 14 CO 0.26 -1.05 0.00 0.41 -0.68 0.00 0.00 175.30 174.24 1wki n GLY 15 N 5.20 -0.71 2.97 -3.53 0.00 -1.26 -5.17 105.19 102.69 1wki n GLY 15 Ca -0.00 -1.06 0.14 0.00 0.00 0.00 0.00 46.02 45.10 1wki n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wki n ARG 16 N -0.26 -2.05 -4.01 1.61 1.74 -1.26 -4.99 116.66 107.44 1wki n ARG 16 Ca 0.00 1.35 -0.09 0.00 -0.77 0.00 0.00 57.85 58.34 1wki n ARG 16 Cb 0.00 -2.50 -0.08 0.00 -1.02 0.00 0.00 32.46 28.86 1wki n ARG 16 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1wki s LEU 17 N 0.00 1.49 0.06 0.55 2.01 -1.26 -5.06 118.68 116.47 1wki s LEU 17 Ca 0.00 -0.94 0.14 0.00 0.01 0.00 0.00 54.13 53.34 1wki s LEU 17 Cb 0.00 0.77 -0.15 0.00 0.01 0.00 0.00 46.19 46.82 1wki s LEU 17 CO 0.00 -0.77 0.90 0.11 1.01 0.00 0.00 176.35 177.59 1wki h LYS 18 N 2.76 0.00 -3.25 1.70 1.79 -2.03 -3.39 116.57 114.14 1wki h LYS 18 Ca -0.33 0.00 -0.79 0.00 -2.18 0.00 0.00 60.65 57.34 1wki h LYS 18 Cb 1.20 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 31.61 1wki h LYS 18 CO 0.55 0.46 1.04 0.41 -1.08 0.00 0.00 179.45 180.84 1wki n GLY 19 N 1.42 4.84 3.73 3.86 0.00 -1.26 -5.00 105.19 112.78 1wki n GLY 19 Ca -0.10 -2.49 -0.26 0.00 0.00 0.00 0.00 46.02 43.17 1wki n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wki s ALA 20 N -1.62 3.37 -0.16 4.61 0.00 -1.26 -5.04 121.76 121.66 1wki s ALA 20 Ca 0.34 -1.30 0.12 0.00 0.00 0.00 0.00 51.96 51.11 1wki s ALA 20 Cb 0.03 -1.16 -0.18 0.00 0.00 0.00 0.00 23.12 21.81 1wki s ALA 20 CO 0.05 0.49 0.01 0.25 0.00 0.00 0.00 175.76 176.56 1wki n THR 21 N -0.24 1.08 -4.34 0.00 -2.24 -1.26 -4.98 114.28 102.31 1wki n THR 21 Ca -0.09 -0.62 -0.20 0.00 -2.27 0.00 0.00 64.05 60.88 1wki n THR 21 Cb 0.55 -0.70 -0.15 0.00 -2.10 0.00 0.00 70.33 67.92 1wki n THR 21 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1wki s LYS 22 N -2.38 0.87 0.00 -0.78 2.47 -1.26 -5.02 119.74 113.63 1wki s LYS 22 Ca -0.11 -0.27 0.00 0.00 -1.56 0.00 0.00 55.97 54.03 1wki s LYS 22 Cb 0.05 -0.82 0.00 0.00 -1.46 0.00 0.00 37.83 35.60 1wki s LYS 22 CO 0.60 0.10 0.00 0.41 0.16 0.00 0.00 175.35 176.62 1wki n GLY 23 N 3.31 0.09 0.00 5.54 0.00 -1.26 -5.14 105.19 107.73 1wki n GLY 23 Ca -0.18 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 0.88 0.79 1.48 -0.02 0.00 -1.26 -4.97 105.19 102.09 1wki n GLY 24 Ca 0.00 0.27 -0.04 0.00 0.00 0.00 0.00 46.02 46.24 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 3.55 -4.58 1.61 5.68 -1.26 -4.80 116.55 116.76 1wki n ASP 25 Ca 0.00 -2.70 -0.42 0.00 -0.50 0.00 0.00 54.79 51.17 1wki n ASP 25 Cb 0.00 -0.65 -0.01 0.00 -1.14 0.00 0.00 41.12 39.33 1wki n ASP 25 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1wki s TYR 26 N -1.92 2.69 -0.11 2.11 6.14 -1.26 -4.34 117.35 120.66 1wki s TYR 26 Ca 0.31 -1.39 -0.08 0.00 0.64 0.00 0.00 57.07 56.55 1wki s TYR 26 Cb 0.25 -4.70 0.03 0.00 0.42 0.00 0.00 41.96 37.96 1wki s TYR 26 CO 0.08 -1.79 0.15 0.28 0.64 0.00 0.00 175.55 174.91 1wki n VAL 27 N 6.55 -9.42 0.00 3.14 0.31 -1.26 -4.90 118.33 112.75 1wki n VAL 27 Ca 0.47 2.02 0.00 0.00 -0.01 0.00 0.00 64.34 66.81 1wki n VAL 27 Cb 0.47 -5.26 0.00 0.00 -0.91 0.00 0.00 33.84 28.13 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 1.97 0.00 -2.68 3.52 0.00 -1.26 -4.92 120.51 117.13 1wki n ALA 28 Ca -0.26 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.01 1wki n ALA 28 Cb 0.40 0.16 -0.05 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.87 1.36 0.00 0.00 0.08 -1.26 -5.09 117.98 112.19 1wki s PHE 29 Ca 0.00 -1.46 0.00 0.00 0.12 0.00 0.00 56.93 55.59 1wki s PHE 29 Cb 0.00 -0.32 0.00 0.00 -0.57 0.00 0.00 43.02 42.13 1wki s PHE 29 CO 0.00 -1.07 0.00 0.41 -0.10 0.00 0.00 175.22 174.46 1wki n GLY 30 N -0.61 1.08 1.78 4.36 0.00 -1.26 -4.64 105.19 105.90 1wki n GLY 30 Ca 0.03 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1wki n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wki n ASP 31 N 2.78 0.02 -4.91 1.61 8.00 0.04 -4.92 116.55 119.17 1wki n ASP 31 Ca 0.00 0.09 -0.20 0.00 0.71 0.00 0.00 54.79 55.39 1wki n ASP 31 Cb 0.00 0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.14 1wki n ASP 31 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1wki s TYR 32 N -2.00 2.65 -0.24 1.24 2.02 -0.00 0.46 117.35 121.49 1wki s TYR 32 Ca 0.00 -0.49 -0.11 0.00 -0.37 0.00 0.00 57.07 56.10 1wki s TYR 32 Cb 0.00 -2.21 0.09 0.00 -0.40 0.00 0.00 41.96 39.44 1wki s TYR 32 CO 0.00 -0.22 0.55 0.20 -1.57 0.00 0.00 175.55 174.51 1wki s GLY 33 N -4.19 -0.53 -0.59 0.71 0.00 0.13 -2.86 107.32 99.98 1wki s GLY 33 Ca 0.49 2.00 -0.21 0.00 0.00 0.00 0.00 44.72 47.00 1wki s GLY 33 CO 0.29 2.40 0.81 -2.27 0.00 0.00 0.00 173.10 174.33 1wki s LEU 34 N 2.10 4.78 0.14 0.66 1.98 0.30 -1.26 118.68 127.39 1wki s LEU 34 Ca -0.07 -1.03 -0.13 0.00 -2.89 0.00 0.00 54.13 50.01 1wki s LEU 34 Cb -0.09 -2.44 -0.07 0.00 0.66 0.00 0.00 46.19 44.25 1wki s LEU 34 CO -0.16 -1.20 0.52 0.54 -1.89 0.00 0.00 176.35 174.16 1wki s VAL 35 N 3.32 4.91 -0.46 1.68 0.11 -0.63 -1.81 120.40 127.51 1wki s VAL 35 Ca 0.18 0.72 -0.19 0.00 -2.93 0.00 0.00 61.98 59.77 1wki s VAL 35 Cb -0.19 -3.71 0.04 0.00 -1.53 0.00 0.00 36.38 30.99 1wki s VAL 35 CO 0.10 0.23 0.56 0.00 -3.33 0.00 0.00 175.10 172.66 1wki s ALA 36 N -1.47 3.40 -2.00 1.54 0.00 0.59 -1.67 121.76 122.15 1wki s ALA 36 Ca 0.37 -1.59 0.27 0.00 0.00 0.00 0.00 51.96 51.01 1wki s ALA 36 Cb -0.14 -3.23 1.59 0.00 0.00 0.00 0.00 23.12 21.33 1wki s ALA 36 CO 0.19 -1.82 1.95 1.28 0.00 0.00 0.00 175.76 177.36 1wki n LEU 37 N 5.95 0.00 -3.91 0.00 4.77 0.11 0.87 117.00 124.80 1wki n LEU 37 Ca -0.06 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.82 1wki n LEU 37 Cb 0.46 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.45 1wki n LEU 37 CO 0.51 0.00 -0.23 -1.61 -1.33 0.00 0.00 177.39 174.73 1wki s GLU 38 N -2.00 0.47 0.20 3.23 2.02 -1.22 -4.43 118.70 116.98 1wki s GLU 38 Ca 0.40 -0.55 -0.30 0.00 0.02 0.00 0.00 54.97 54.54 1wki s GLU 38 Cb 0.18 0.19 -0.08 0.00 0.10 0.00 0.00 34.13 34.52 1wki s GLU 38 CO 0.31 -0.11 1.08 -1.25 0.02 0.00 0.00 175.26 175.31 1wki s PRO 39 N -1.75 4.63 0.18 0.39 0.04 -1.26 -4.32 135.00 132.92 1wki s PRO 39 Ca -0.12 1.71 -0.24 0.00 0.04 0.00 0.00 61.00 62.39 1wki s PRO 39 Cb -0.06 -3.26 0.06 0.00 0.04 0.00 0.00 34.50 31.28 1wki s PRO 39 CO -0.01 0.16 0.95 0.00 0.04 0.00 0.00 177.00 178.14 1wki s ALA 40 N -0.54 -1.56 -0.38 8.56 0.00 -1.16 -4.89 121.76 121.80 1wki s ALA 40 Ca 0.47 -0.04 -0.07 0.00 0.00 0.00 0.00 51.96 52.32 1wki s ALA 40 Cb -0.29 0.68 0.07 0.00 0.00 0.00 0.00 23.12 23.57 1wki s ALA 40 CO 0.36 -1.05 0.18 -1.58 0.00 0.00 0.00 175.76 173.67 1wki s TRP 41 N -3.07 3.34 -0.29 0.00 0.51 -1.26 -1.35 118.94 116.82 1wki s TRP 41 Ca 0.14 -1.65 -0.25 0.00 -2.12 0.00 0.00 56.10 52.22 1wki s TRP 41 Cb -0.02 -2.69 0.00 0.00 -0.81 0.00 0.00 33.47 29.95 1wki s TRP 41 CO 0.04 -0.82 0.86 0.42 -0.51 0.00 0.00 176.95 176.93 1wki s ILE 42 N 1.36 4.75 0.93 2.03 -1.09 -1.03 -4.72 121.20 123.43 1wki s ILE 42 Ca 0.02 1.40 -0.15 0.00 -2.23 0.00 0.00 60.65 59.69 1wki s ILE 42 Cb -0.21 -4.19 0.16 0.00 -1.58 0.00 0.00 42.46 36.64 1wki s ILE 42 CO 0.01 -0.24 1.24 0.42 -1.23 0.00 0.00 174.94 175.14 1wki s THR 43 N 3.06 1.97 0.19 2.92 -4.23 -1.26 0.20 115.64 118.48 1wki s THR 43 Ca 0.36 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.75 1wki s THR 43 Cb -0.14 -2.94 0.10 0.00 1.34 0.00 0.00 72.50 70.87 1wki s THR 43 CO 0.11 0.00 1.80 0.00 -0.54 0.00 0.00 174.62 176.00 1wki h ALA 44 N -1.51 0.82 -0.76 3.99 0.00 -1.94 -2.78 119.26 117.09 1wki h ALA 44 Ca -0.46 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.38 1wki h ALA 44 Cb 1.28 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1wki h ALA 44 CO 0.49 0.33 0.49 1.96 0.00 0.00 0.00 179.25 182.53 1wki h GLN 45 N 0.88 0.94 -0.52 0.00 1.08 -1.93 -1.90 115.11 113.66 1wki h GLN 45 Ca 0.23 -0.06 0.04 0.00 -1.45 0.00 0.00 58.65 57.41 1wki h GLN 45 Cb 0.03 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.22 1wki h GLN 45 CO -0.04 0.62 0.35 1.96 -0.95 0.00 0.00 178.83 180.77 1wki h GLN 46 N 0.97 0.55 0.04 1.46 4.20 -1.86 2.53 115.11 123.00 1wki h GLN 46 Ca 0.30 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 1wki h GLN 46 Cb -0.03 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.63 1wki h GLN 46 CO -0.09 0.37 -0.02 0.82 -0.67 0.00 0.00 178.83 179.23 1wki h ILE 47 N 0.57 1.33 0.08 2.54 2.04 -1.26 -2.72 117.51 120.09 1wki h ILE 47 Ca 0.21 -1.25 -0.17 0.00 1.00 0.00 0.00 64.86 64.65 1wki h ILE 47 Cb 0.13 2.15 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 1wki h ILE 47 CO -0.06 0.31 -0.85 -0.08 0.00 0.00 0.00 178.15 177.48 1wki h GLU 48 N -0.61 0.17 -0.48 2.37 4.81 -1.09 -3.02 114.58 116.73 1wki h GLU 48 Ca -0.01 -0.29 0.07 0.00 -0.13 0.00 0.00 59.36 59.01 1wki h GLU 48 Cb 0.55 0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.98 1wki h GLU 48 CO 0.01 1.14 0.14 0.00 -0.73 0.00 0.00 179.01 179.56 1wki h ALA 49 N -0.05 0.56 -0.57 2.92 0.00 0.42 -0.06 119.26 122.48 1wki h ALA 49 Ca -0.18 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1wki h ALA 49 Cb 1.47 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 1wki h ALA 49 CO 0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 179.25 178.99 1wki h ALA 50 N 1.34 0.77 -0.73 0.00 0.00 -1.51 -2.96 119.26 116.17 1wki h ALA 50 Ca 0.23 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1wki h ALA 50 Cb 0.28 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1wki h ALA 50 CO -0.27 0.64 0.48 0.00 0.00 0.00 0.00 179.25 180.09 1wki h ARG 51 N 0.92 0.93 -0.98 0.00 2.47 -1.22 -0.74 114.38 115.76 1wki h ARG 51 Ca 0.16 -0.06 0.05 0.00 -1.26 0.00 0.00 59.98 58.87 1wki h ARG 51 Cb 0.59 -0.21 -0.06 0.00 -1.65 0.00 0.00 29.97 28.64 1wki h ARG 51 CO 0.04 0.61 0.64 0.28 0.56 0.00 0.00 179.97 182.10 1wki h VAL 52 N 0.96 1.13 -0.24 2.04 2.07 -0.88 0.42 116.25 121.74 1wki h VAL 52 Ca 0.28 -0.41 -0.17 0.00 0.82 0.00 0.00 66.70 67.21 1wki h VAL 52 Cb -0.07 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 29.53 1wki h VAL 52 CO -0.08 0.22 -0.53 0.00 0.02 0.00 0.00 177.57 177.20 1wki h ALA 53 N 1.45 0.60 0.02 1.67 0.00 -1.23 -2.44 119.26 119.32 1wki h ALA 53 Ca 0.40 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1wki h ALA 53 Cb 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1wki h ALA 53 CO -0.14 0.68 -0.01 0.52 0.00 0.00 0.00 179.25 180.31 1wki h MET 54 N 0.55 -0.02 -1.01 0.00 2.07 -0.38 -1.07 114.93 115.07 1wki h MET 54 Ca 0.01 0.00 0.08 0.00 -2.07 0.00 0.00 59.70 57.72 1wki h MET 54 Cb 1.11 0.00 -0.07 0.00 -1.87 0.00 0.00 31.60 30.77 1wki h MET 54 CO 0.11 0.52 0.65 0.28 1.07 0.00 0.00 176.91 179.54 1wki h VAL 55 N -0.58 1.06 0.00 -2.22 2.07 -0.26 -1.19 116.25 115.14 1wki h VAL 55 Ca -0.00 -0.39 -0.15 0.00 0.82 0.00 0.00 66.70 66.97 1wki h VAL 55 Cb 0.55 -0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 1wki h VAL 55 CO 0.00 0.21 -0.71 0.03 0.02 0.00 0.00 177.57 177.12 1wki h ARG 56 N 1.15 0.00 0.04 1.57 3.08 -1.46 -3.28 114.38 115.48 1wki h ARG 56 Ca 0.45 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.49 1wki h ARG 56 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1wki h ARG 56 CO -0.19 0.71 -0.02 1.25 -1.07 0.00 0.00 179.97 180.65 1wki h HIS 57 N 0.00 -0.05 -1.84 3.04 2.76 0.06 -3.42 115.15 115.69 1wki h HIS 57 Ca -0.01 -0.00 -0.63 0.00 -2.20 0.00 0.00 60.37 57.53 1wki h HIS 57 Cb 1.30 0.02 0.01 0.00 1.55 0.00 0.00 27.41 30.29 1wki h HIS 57 CO 0.00 -0.01 1.17 1.19 -1.30 0.00 0.00 177.93 178.98 1wki n PHE 58 N -5.10 2.17 0.09 5.26 3.72 -1.01 -4.84 117.46 117.74 1wki n PHE 58 Ca -0.07 0.07 -0.03 0.00 -0.05 0.00 0.00 57.45 57.36 1wki n PHE 58 Cb 0.06 -2.64 0.18 0.00 -0.94 0.00 0.00 39.48 36.15 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 10.08 0.24 -0.75 -1.08 3.08 -1.90 -3.02 114.38 121.04 1wki h ARG 59 Ca -0.44 -0.13 -0.44 0.00 0.07 0.00 0.00 59.98 59.03 1wki h ARG 59 Cb 1.28 0.01 -0.25 0.00 0.08 0.00 0.00 29.97 31.09 1wki h ARG 59 CO 0.96 0.68 0.31 0.54 -1.07 0.00 0.00 179.97 181.39 1wki n ARG 60 N -3.97 2.32 -1.03 0.04 1.74 -1.26 -5.07 116.66 109.44 1wki n ARG 60 Ca -0.02 -3.24 0.14 0.00 -0.77 0.00 0.00 57.85 53.96 1wki n ARG 60 Cb 0.53 -2.09 -0.04 0.00 -1.02 0.00 0.00 32.46 29.84 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 -1.06 -2.05 0.00 -0.13 0.00 -1.14 -4.98 105.19 95.83 1wki n GLY 61 Ca 0.50 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.53 -1.02 3.04 -0.02 0.00 -1.26 -4.62 105.19 97.79 1wki n GLY 62 Ca -0.01 -1.12 -0.09 0.00 0.00 0.00 0.00 46.02 44.80 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 0.47 -0.04 1.61 -2.85 -1.26 -4.97 119.74 110.70 1wki s LYS 63 Ca 0.00 -0.88 0.01 0.00 -1.00 0.00 0.00 55.97 54.10 1wki s LYS 63 Cb 0.00 0.08 0.02 0.00 -2.06 0.00 0.00 37.83 35.87 1wki s LYS 63 CO 0.00 -0.06 -0.05 0.42 0.10 0.00 0.00 175.35 175.76 1wki s ILE 64 N -2.43 0.56 -0.41 3.79 1.01 -1.26 -3.11 121.20 119.34 1wki s ILE 64 Ca -0.06 -0.17 -0.14 0.00 0.00 0.00 0.00 60.65 60.28 1wki s ILE 64 Cb -0.03 -0.55 0.03 0.00 0.01 0.00 0.00 42.46 41.92 1wki s ILE 64 CO -0.04 0.21 0.30 -0.36 0.00 0.00 0.00 174.94 175.05 1wki s PHE 65 N 0.68 3.24 -0.19 3.97 0.08 0.22 -4.92 117.98 121.05 1wki s PHE 65 Ca -0.09 -0.70 -0.14 0.00 0.12 0.00 0.00 56.93 56.13 1wki s PHE 65 Cb -0.12 -2.65 -0.04 0.00 -0.57 0.00 0.00 43.02 39.63 1wki s PHE 65 CO 0.00 -0.63 0.29 0.42 -0.10 0.00 0.00 175.22 175.21 1wki s ILE 66 N 1.65 5.28 -0.15 0.64 -1.09 -1.26 -2.68 121.20 123.59 1wki s ILE 66 Ca 0.04 0.51 0.15 0.00 -2.23 0.00 0.00 60.65 59.12 1wki s ILE 66 Cb -0.20 -3.63 -0.20 0.00 -1.58 0.00 0.00 42.46 36.85 1wki s ILE 66 CO 0.09 0.33 0.08 -1.14 -1.23 0.00 0.00 174.94 173.07 1wki n ARG 67 N 4.06 1.30 -2.26 2.79 0.63 -1.24 -4.97 116.66 116.97 1wki n ARG 67 Ca -0.11 -0.02 -0.41 0.00 -0.92 0.00 0.00 57.85 56.39 1wki n ARG 67 Cb 0.52 -1.41 -0.03 0.00 0.45 0.00 0.00 32.46 31.98 1wki n ARG 67 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 1wki s ILE 68 N -2.45 3.24 -0.03 5.15 -4.36 -1.26 -5.04 121.20 116.46 1wki s ILE 68 Ca -0.08 1.07 -0.01 0.00 -0.26 0.00 0.00 60.65 61.38 1wki s ILE 68 Cb 0.05 -3.69 0.02 0.00 1.25 0.00 0.00 42.46 40.10 1wki s ILE 68 CO 0.67 0.18 0.05 0.12 0.24 0.00 0.00 174.94 176.20 1wki s PHE 69 N -0.21 -0.02 -0.30 1.37 5.36 -1.26 -5.05 117.98 117.86 1wki s PHE 69 Ca 0.54 0.18 -0.28 0.00 -0.96 0.00 0.00 56.93 56.41 1wki s PHE 69 Cb -0.36 -0.14 -0.04 0.00 -0.34 0.00 0.00 43.02 42.15 1wki s PHE 69 CO 0.40 -0.08 2.03 -2.14 -1.46 0.00 0.00 175.22 173.97 1wki s PRO 70 N 0.78 3.12 -0.01 10.12 0.02 -1.26 -4.47 135.00 143.30 1wki s PRO 70 Ca -0.06 1.66 -0.01 0.00 0.02 0.00 0.00 61.00 62.61 1wki s PRO 70 Cb -0.09 -4.31 -0.01 0.00 0.02 0.00 0.00 34.50 30.11 1wki s PRO 70 CO -0.03 -2.11 -0.02 -0.40 -0.33 0.00 0.00 177.00 174.12 1wki n ASP 71 N 11.43 1.18 -4.68 2.53 5.75 -0.74 -4.73 116.55 127.28 1wki n ASP 71 Ca 0.27 0.01 -0.43 0.00 -0.01 0.00 0.00 54.79 54.63 1wki n ASP 71 Cb 0.47 -0.04 -0.02 0.00 -1.03 0.00 0.00 41.12 40.50 1wki n ASP 71 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1wki s LYS 72 N -2.03 4.36 0.92 0.11 2.20 -1.15 -4.88 119.74 119.28 1wki s LYS 72 Ca -0.02 1.51 -0.12 0.00 -0.36 0.00 0.00 55.97 56.98 1wki s LYS 72 Cb 0.01 -3.57 0.05 0.00 -1.51 0.00 0.00 37.83 32.81 1wki s LYS 72 CO 0.03 -0.43 0.58 -2.30 -0.36 0.00 0.00 175.35 172.87 1wki n PRO 73 N 5.34 -0.27 -3.89 4.03 -0.02 -1.26 -2.07 135.00 136.86 1wki n PRO 73 Ca 0.10 -0.03 -0.30 0.00 -2.02 0.00 0.00 63.50 61.25 1wki n PRO 73 Cb 0.47 -1.97 -0.15 0.00 -0.02 0.00 0.00 33.50 31.83 1wki n PRO 73 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1wki s TYR 74 N -2.40 2.88 0.09 6.00 6.14 -0.92 -4.69 117.35 124.45 1wki s TYR 74 Ca 0.60 -2.57 0.10 0.00 0.64 0.00 0.00 57.07 55.83 1wki s TYR 74 Cb -0.23 -2.44 -0.03 0.00 0.42 0.00 0.00 41.96 39.68 1wki s TYR 74 CO 0.64 -0.89 -0.25 0.95 0.64 0.00 0.00 175.55 176.65 1wki s THR 75 N 0.94 2.32 0.03 4.34 -4.23 -1.26 -1.72 115.64 116.05 1wki s THR 75 Ca 0.12 -1.53 0.01 0.00 -1.18 0.00 0.00 61.69 59.11 1wki s THR 75 Cb -0.20 -1.98 -0.02 0.00 1.34 0.00 0.00 72.50 71.65 1wki s THR 75 CO -0.12 0.23 -0.06 -0.54 -0.54 0.00 0.00 174.62 173.60 1wki s LYS 76 N -1.67 0.42 -0.58 3.99 1.02 -1.26 -5.06 119.74 116.60 1wki s LYS 76 Ca 0.13 -0.64 -0.05 0.00 0.02 0.00 0.00 55.97 55.43 1wki s LYS 76 Cb -0.10 -0.13 0.15 0.00 -0.52 0.00 0.00 37.83 37.23 1wki s LYS 76 CO 0.05 0.01 0.42 0.15 -0.92 0.00 0.00 175.35 175.05 1wki s LYS 77 N -1.40 2.56 0.00 1.68 3.01 -1.26 -5.08 119.74 119.25 1wki s LYS 77 Ca -0.11 -2.24 0.00 0.00 -1.01 0.00 0.00 55.97 52.61 1wki s LYS 77 Cb -0.09 -3.82 0.00 0.00 -1.01 0.00 0.00 37.83 32.90 1wki s LYS 77 CO -0.00 -1.17 0.00 -0.35 0.51 0.00 0.00 175.35 174.34 1wki n PRO 78 N 4.03 0.66 -2.86 -1.68 -0.04 -1.26 -5.09 135.00 128.76 1wki n PRO 78 Ca 0.04 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.24 1wki n PRO 78 Cb 0.40 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.86 1wki n PRO 78 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1wki s LEU 79 N 0.00 3.67 0.54 1.53 2.34 -1.26 -4.96 118.68 120.53 1wki s LEU 79 Ca 0.00 0.64 0.30 0.00 0.06 0.00 0.00 54.13 55.13 1wki s LEU 79 Cb 0.00 -3.54 1.46 0.00 -0.56 0.00 0.00 46.19 43.55 1wki s LEU 79 CO 0.00 -0.61 1.92 -0.08 -1.06 0.00 0.00 176.35 176.53 1wki h GLU 80 N 0.33 0.00 -4.53 1.48 4.57 -2.05 -3.35 114.58 111.03 1wki h GLU 80 Ca -0.47 0.00 -0.72 0.00 -1.18 0.00 0.00 59.36 56.99 1wki h GLU 80 Cb 1.23 0.00 -0.21 0.00 -0.16 0.00 0.00 28.75 29.61 1wki h GLU 80 CO 0.60 0.00 -0.43 0.08 -1.18 0.00 0.00 179.01 178.09 1wki s VAL 81 N -4.99 5.26 0.17 0.32 1.01 -1.26 -5.02 120.40 115.89 1wki s VAL 81 Ca -0.05 -0.61 -0.18 0.00 0.00 0.00 0.00 61.98 61.14 1wki s VAL 81 Cb 0.21 -3.91 0.06 0.00 0.00 0.00 0.00 36.38 32.74 1wki s VAL 81 CO 0.76 -0.28 0.86 -2.11 0.00 0.00 0.00 175.10 174.33 1wki n ARG 82 N 5.17 0.57 -2.98 2.72 1.85 -1.26 -5.13 116.66 117.60 1wki n ARG 82 Ca -0.11 -1.29 -0.18 0.00 -1.00 0.00 0.00 57.85 55.27 1wki n ARG 82 Cb 0.47 1.74 0.02 0.00 -1.05 0.00 0.00 32.46 33.64 1wki n ARG 82 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 1wki s MET 83 N -2.04 2.70 0.00 2.89 -1.94 -1.26 -5.02 119.30 114.62 1wki s MET 83 Ca 0.19 -1.28 0.00 0.00 -1.71 0.00 0.00 55.69 52.89 1wki s MET 83 Cb -0.02 -2.71 0.00 0.00 2.01 0.00 0.00 34.83 34.10 1wki s MET 83 CO 0.05 -0.42 0.00 0.41 -0.01 0.00 0.00 175.02 175.05 1wki n GLY 84 N -1.97 -1.38 0.02 -0.03 0.00 -1.26 -4.63 105.19 95.94 1wki n GLY 84 Ca 0.09 -2.07 0.11 0.00 0.00 0.00 0.00 46.02 44.15 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 0.53 0.00 1.61 4.76 -1.26 -5.09 118.16 118.71 1wki n LYS 85 Ca 0.00 -0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.31 1wki n LYS 85 Cb 0.00 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 31.65 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 1.30 0.16 3.22 0.72 0.00 -1.26 -4.89 105.19 104.44 1wki n GLY 86 Ca -0.02 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 1wki n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wki s LYS 87 N -0.10 3.72 0.00 1.61 3.01 -1.26 -4.87 119.74 121.85 1wki s LYS 87 Ca 0.00 -3.23 0.00 0.00 -1.01 0.00 0.00 55.97 51.73 1wki s LYS 87 Cb 0.00 -4.25 0.00 0.00 -1.01 0.00 0.00 37.83 32.57 1wki s LYS 87 CO 0.00 -1.25 0.00 0.41 0.51 0.00 0.00 175.35 175.02 1wki n GLY 88 N 2.54 2.32 3.72 -3.33 0.00 -1.26 -5.10 105.19 104.09 1wki n GLY 88 Ca 0.22 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 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 3.60 -4.73 1.61 2.85 -1.26 -4.95 115.26 112.38 1wki n ASN 89 Ca 0.00 1.13 -0.32 0.00 -0.11 0.00 0.00 54.58 55.28 1wki n ASN 89 Cb 0.00 -1.55 0.11 0.00 1.24 0.00 0.00 39.78 39.58 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 0.16 2.68 -1.20 3.44 0.11 -1.26 -4.89 120.40 119.43 1wki s VAL 90 Ca 0.67 0.25 -0.07 0.00 -2.93 0.00 0.00 61.98 59.90 1wki s VAL 90 Cb -0.54 -2.59 -0.02 0.00 -1.53 0.00 0.00 36.38 31.70 1wki s VAL 90 CO 0.46 -0.26 2.82 -0.62 -3.33 0.00 0.00 175.10 174.18 1wki n GLU 91 N -3.48 3.70 -0.90 1.54 -0.58 -0.70 -4.95 120.64 115.27 1wki n GLU 91 Ca 0.11 -2.53 0.12 0.00 -0.42 0.00 0.00 57.16 54.44 1wki n GLU 91 Cb 0.52 -2.58 -0.03 0.00 -0.57 0.00 0.00 31.44 28.78 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 -1.92 3.73 0.62 0.00 -1.26 -4.65 105.19 104.21 1wki n GLY 92 Ca 0.66 -1.25 -0.23 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.64 2.74 0.21 1.61 1.51 -1.26 -2.17 117.35 118.36 1wki s TYR 93 Ca 0.00 -0.33 -0.00 0.00 -1.01 0.00 0.00 57.07 55.72 1wki s TYR 93 Cb 0.00 -1.56 -0.04 0.00 -0.11 0.00 0.00 41.96 40.25 1wki s TYR 93 CO 0.00 0.39 0.13 0.14 -1.11 0.00 0.00 175.55 175.09 1wki s VAL 94 N -2.38 0.10 -0.28 0.71 -7.23 -0.88 -2.99 120.40 107.45 1wki s VAL 94 Ca 0.37 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.54 1wki s VAL 94 Cb -0.04 -2.52 0.08 0.00 0.56 0.00 0.00 36.38 34.46 1wki s VAL 94 CO 0.23 0.00 0.01 0.00 -0.31 0.00 0.00 175.10 175.03 1wki s ALA 95 N -4.08 2.02 0.22 1.32 0.00 0.13 -1.80 121.76 119.58 1wki s ALA 95 Ca 0.39 -1.67 -0.32 0.00 0.00 0.00 0.00 51.96 50.36 1wki s ALA 95 Cb 0.07 -1.59 -0.12 0.00 0.00 0.00 0.00 23.12 21.48 1wki s ALA 95 CO 0.13 -1.42 1.71 0.28 0.00 0.00 0.00 175.76 176.45 1wki n VAL 96 N 4.64 0.16 -4.36 0.00 0.31 -1.26 -2.47 118.33 115.35 1wki n VAL 96 Ca -0.06 -0.04 -0.19 0.00 -0.01 0.00 0.00 64.34 64.05 1wki n VAL 96 Cb 0.43 -2.00 -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 0.99 1.70 0.14 2.52 1.01 -0.46 -4.98 120.40 121.32 1wki s VAL 97 Ca 0.73 -2.19 0.05 0.00 0.00 0.00 0.00 61.98 60.57 1wki s VAL 97 Cb -0.50 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1wki s VAL 97 CO 0.35 -0.55 -0.12 -0.54 0.00 0.00 0.00 175.10 174.24 1wki s LYS 98 N -3.66 1.04 -0.25 2.72 1.02 -1.26 -2.96 119.74 116.38 1wki s LYS 98 Ca 0.24 -1.35 -0.35 0.00 0.02 0.00 0.00 55.97 54.53 1wki s LYS 98 Cb 0.00 -0.74 -0.11 0.00 -0.52 0.00 0.00 37.83 36.46 1wki s LYS 98 CO 0.07 0.12 2.04 -2.30 -0.92 0.00 0.00 175.35 174.36 1wki n PRO 99 N 0.13 1.50 0.00 -1.68 -0.02 -1.23 -2.17 135.00 131.54 1wki n PRO 99 Ca -0.13 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1wki n PRO 99 Cb 0.59 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 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 5.50 1.73 3.39 -1.23 0.00 0.25 -4.92 105.19 109.91 1wki n GLY 100 Ca 0.32 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.64 3.44 -0.64 1.61 6.06 -0.92 -4.81 118.95 123.05 1wki s ARG 101 Ca 0.00 -0.65 -0.27 0.00 -2.50 0.00 0.00 55.73 52.32 1wki s ARG 101 Cb 0.00 -2.74 0.04 0.00 0.06 0.00 0.00 34.95 32.31 1wki s ARG 101 CO 0.00 0.16 1.16 0.08 -2.50 0.00 0.00 175.30 174.21 1wki s VAL 102 N 0.51 4.00 -0.10 7.11 1.01 -1.26 -0.30 120.40 131.36 1wki s VAL 102 Ca -0.07 0.53 0.16 0.00 0.00 0.00 0.00 61.98 62.60 1wki s VAL 102 Cb -0.15 -4.76 -0.22 0.00 0.00 0.00 0.00 36.38 31.25 1wki s VAL 102 CO 0.04 -1.49 0.54 0.23 0.00 0.00 0.00 175.10 174.41 1wki n MET 103 N 8.54 0.65 -4.03 2.72 0.00 -0.75 -4.66 117.12 119.58 1wki n MET 103 Ca 0.05 0.17 -0.12 0.00 0.00 0.00 0.00 57.70 57.80 1wki n MET 103 Cb 0.48 -1.71 -0.12 0.00 0.00 0.00 0.00 33.22 31.88 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 -2.70 0.46 -0.18 2.03 0.40 -1.18 -3.71 117.98 113.09 1wki s PHE 104 Ca -0.06 -0.45 -0.06 0.00 -0.60 0.00 0.00 56.93 55.76 1wki s PHE 104 Cb 0.08 -0.29 0.08 0.00 0.51 0.00 0.00 43.02 43.40 1wki s PHE 104 CO 0.83 -0.11 0.38 -1.21 0.70 0.00 0.00 175.22 175.81 1wki s GLU 105 N -1.32 0.29 0.37 0.44 8.01 -1.09 0.11 118.70 125.50 1wki s GLU 105 Ca -0.11 0.97 0.08 0.00 0.01 0.00 0.00 54.97 55.92 1wki s GLU 105 Cb -0.09 0.25 -0.03 0.00 -4.31 0.00 0.00 34.13 29.95 1wki s GLU 105 CO -0.00 -0.26 0.29 0.14 0.01 0.00 0.00 175.26 175.44 1wki s VAL 106 N 2.54 3.08 -0.28 2.63 -7.23 -1.14 0.69 120.40 120.70 1wki s VAL 106 Ca -0.01 -1.44 -0.23 0.00 -1.81 0.00 0.00 61.98 58.49 1wki s VAL 106 Cb -0.12 -3.08 0.10 0.00 0.56 0.00 0.00 36.38 33.85 1wki s VAL 106 CO -0.12 -0.11 0.89 0.00 -0.31 0.00 0.00 175.10 175.45 1wki s ALA 107 N -2.40 -1.93 0.00 1.32 0.00 -1.18 -0.78 121.76 116.79 1wki s ALA 107 Ca 0.43 2.01 0.00 0.00 0.00 0.00 0.00 51.96 54.40 1wki s ALA 107 Cb -0.04 -1.38 0.00 0.00 0.00 0.00 0.00 23.12 21.70 1wki s ALA 107 CO 0.26 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.14 1wki n GLY 108 N 2.71 2.94 3.91 0.00 0.00 -1.26 -3.99 105.19 109.51 1wki n GLY 108 Ca -0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.82 3.66 1.00 1.61 -7.23 -1.26 -5.00 120.40 110.35 1wki s VAL 109 Ca 0.00 0.07 -0.12 0.00 -1.81 0.00 0.00 61.98 60.12 1wki s VAL 109 Cb 0.00 -3.46 0.19 0.00 0.56 0.00 0.00 36.38 33.67 1wki s VAL 109 CO 0.00 -0.50 1.08 0.42 -0.31 0.00 0.00 175.10 175.79 1wki s THR 110 N -3.03 2.25 0.19 5.32 -4.23 -1.26 -4.73 115.64 110.14 1wki s THR 110 Ca 0.54 0.08 -0.06 0.00 -1.18 0.00 0.00 61.69 61.07 1wki s THR 110 Cb -0.11 -2.43 0.02 0.00 1.34 0.00 0.00 72.50 71.32 1wki s THR 110 CO 0.46 -0.11 1.59 -0.08 -0.54 0.00 0.00 174.62 175.95 1wki h GLU 111 N -1.97 0.84 -0.35 3.99 4.22 -1.97 0.27 114.58 119.60 1wki h GLU 111 Ca -0.54 -0.36 -0.14 0.00 0.08 0.00 0.00 59.36 58.41 1wki h GLU 111 Cb 1.31 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1wki h GLU 111 CO 0.54 0.99 -0.32 1.49 -2.18 0.00 0.00 179.01 179.53 1wki h GLU 112 N 0.72 0.84 -0.03 1.92 4.57 -1.99 0.12 114.58 120.74 1wki h GLU 112 Ca 0.09 -0.43 -0.22 0.00 -1.18 0.00 0.00 59.36 57.62 1wki h GLU 112 Cb 0.78 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 1wki h GLU 112 CO 0.06 1.07 -0.88 1.96 -1.18 0.00 0.00 179.01 180.05 1wki h GLN 113 N 0.64 0.44 -0.06 1.92 1.08 -1.91 -2.11 115.11 115.10 1wki h GLN 113 Ca 0.06 -0.43 -0.03 0.00 -1.45 0.00 0.00 58.65 56.80 1wki h GLN 113 Cb 0.90 0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 28.45 1wki h GLN 113 CO 0.08 1.09 -0.08 0.00 -0.95 0.00 0.00 178.83 178.97 1wki h ALA 114 N 0.77 0.10 -0.32 3.87 0.00 -0.43 0.78 119.26 124.04 1wki h ALA 114 Ca -0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1wki h ALA 114 Cb 1.50 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1wki h ALA 114 CO 0.15 -0.08 0.13 0.52 0.00 0.00 0.00 179.25 179.97 1wki h MET 115 N -0.29 0.47 -0.10 0.00 2.86 -1.05 0.09 114.93 116.91 1wki h MET 115 Ca 0.01 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1wki h MET 115 Cb 0.60 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.18 1wki h MET 115 CO 0.02 0.47 0.02 1.49 1.06 0.00 0.00 176.91 179.97 1wki h GLU 116 N 0.36 0.16 -0.26 1.72 4.81 -1.43 -1.57 114.58 118.38 1wki h GLU 116 Ca 0.11 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 1wki h GLU 116 Cb 0.18 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1wki h GLU 116 CO -0.01 0.35 0.04 0.00 -0.73 0.00 0.00 179.01 178.66 1wki h ALA 117 N 0.80 0.25 -0.06 2.92 0.00 -0.75 0.16 119.26 122.60 1wki h ALA 117 Ca 0.03 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1wki h ALA 117 Cb 0.26 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1wki h ALA 117 CO 0.00 -0.38 0.02 -0.07 0.00 0.00 0.00 179.25 178.82 1wki h LEU 118 N 0.13 0.07 -0.10 0.00 4.07 -0.92 -1.85 115.31 116.71 1wki h LEU 118 Ca 0.12 -0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.83 1wki h LEU 118 Cb 0.13 -0.02 0.01 0.00 1.08 0.00 0.00 40.66 41.87 1wki h LEU 118 CO -0.17 0.07 -0.89 0.03 -1.08 0.00 0.00 178.44 176.40 1wki h ARG 119 N 0.08 0.74 -0.92 1.13 3.08 -0.09 -3.12 114.38 115.27 1wki h ARG 119 Ca 0.02 -0.68 0.10 0.00 0.07 0.00 0.00 59.98 59.49 1wki h ARG 119 Cb 0.02 0.17 -0.07 0.00 0.08 0.00 0.00 29.97 30.17 1wki h ARG 119 CO -0.00 1.28 0.59 0.82 -1.07 0.00 0.00 179.97 181.59 1wki h ILE 120 N 0.47 0.96 -0.20 2.04 2.04 0.11 0.35 117.51 123.28 1wki h ILE 120 Ca -0.08 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 1wki h ILE 120 Cb 1.53 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1wki h ILE 120 CO 0.18 0.17 0.06 0.00 0.00 0.00 0.00 178.15 178.55 1wki h ALA 121 N 1.55 0.26 0.00 1.87 0.00 -1.49 -2.74 119.26 118.71 1wki h ALA 121 Ca 0.43 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1wki h ALA 121 Cb 0.43 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1wki h ALA 121 CO -0.20 -0.10 -0.05 0.78 0.00 0.00 0.00 179.25 179.68 1wki h GLY 122 N 0.14 0.00 0.92 0.00 0.00 -1.26 -3.11 103.07 99.76 1wki h GLY 122 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.44 1wki h GLY 122 CO -0.00 0.00 0.61 0.45 0.00 0.00 0.00 176.54 177.60 1wki h HIS 123 N 0.00 1.12 -0.16 5.60 -0.00 -0.01 -0.37 115.15 121.33 1wki h HIS 123 Ca -0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1wki h HIS 123 Cb 0.67 -0.37 0.00 0.00 -0.00 0.00 0.00 27.41 27.71 1wki h HIS 123 CO 0.00 0.63 0.00 0.36 -0.00 0.00 0.00 177.93 178.92 1wki n LYS 124 N -4.45 1.88 -2.86 2.45 0.00 -1.18 -4.92 118.16 109.08 1wki n LYS 124 Ca 0.13 -1.32 -0.32 0.00 -0.00 0.00 0.00 58.31 56.81 1wki n LYS 124 Cb 0.13 -1.43 -0.05 0.00 -0.00 0.00 0.00 35.03 33.68 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 -1.66 3.88 -0.12 -5.58 1.43 -0.15 -4.97 118.68 111.51 1wki s LEU 125 Ca 0.34 1.31 0.04 0.00 -1.03 0.00 0.00 54.13 54.79 1wki s LEU 125 Cb 0.19 -4.17 0.30 0.00 0.03 0.00 0.00 46.19 42.54 1wki s LEU 125 CO 0.29 -0.37 1.11 -0.81 0.23 0.00 0.00 176.35 176.80 1wki n PRO 126 N -0.99 2.16 -3.88 1.29 -0.04 -1.26 -4.87 135.00 127.41 1wki n PRO 126 Ca 0.04 -1.19 -0.09 0.00 -0.04 0.00 0.00 63.50 62.22 1wki n PRO 126 Cb 0.54 -1.68 -0.05 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.54 0.03 0.31 0.52 -5.25 -1.26 -4.93 121.20 109.08 1wki s ILE 127 Ca 0.21 -1.12 -0.28 0.00 -0.99 0.00 0.00 60.65 58.47 1wki s ILE 127 Cb 0.17 -1.85 -0.09 0.00 2.95 0.00 0.00 42.46 43.63 1wki s ILE 127 CO 0.05 -0.12 1.06 -0.75 -1.79 0.00 0.00 174.94 173.40 1wki s LYS 128 N -3.94 4.53 0.01 0.37 2.36 -1.26 -4.93 119.74 116.88 1wki s LYS 128 Ca 0.15 1.66 -0.04 0.00 -2.55 0.00 0.00 55.97 55.19 1wki s LYS 128 Cb -0.00 -3.00 -0.01 0.00 -1.05 0.00 0.00 37.83 33.77 1wki s LYS 128 CO 0.02 0.15 0.07 0.95 1.55 0.00 0.00 175.35 178.09 1wki s THR 129 N -1.33 0.09 0.07 3.43 -4.23 -1.26 0.10 115.64 112.51 1wki s THR 129 Ca 0.48 -0.75 0.01 0.00 -1.18 0.00 0.00 61.69 60.25 1wki s THR 129 Cb -0.28 -0.35 -0.03 0.00 1.34 0.00 0.00 72.50 73.18 1wki s THR 129 CO 0.35 -0.41 -0.06 -1.59 -0.54 0.00 0.00 174.62 172.37 1wki s LYS 130 N -1.36 0.67 0.05 3.99 -2.85 -0.67 -4.94 119.74 114.64 1wki s LYS 130 Ca -0.15 -1.08 -0.19 0.00 -1.00 0.00 0.00 55.97 53.56 1wki s LYS 130 Cb -0.08 -0.17 -0.06 0.00 -2.06 0.00 0.00 37.83 35.46 1wki s LYS 130 CO 0.00 -0.01 0.55 0.42 0.10 0.00 0.00 175.35 176.41 1wki s ILE 131 N -2.74 4.80 -0.19 3.79 -1.09 -1.26 -1.60 121.20 122.90 1wki s ILE 131 Ca 0.02 1.16 -0.09 0.00 -2.23 0.00 0.00 60.65 59.51 1wki s ILE 131 Cb -0.01 -3.87 0.07 0.00 -1.58 0.00 0.00 42.46 37.07 1wki s ILE 131 CO -0.03 0.55 0.44 0.68 -1.23 0.00 0.00 174.94 175.35 1wki s VAL 132 N -1.01 -0.19 0.93 2.92 -7.23 -0.39 -4.96 120.40 110.48 1wki s VAL 132 Ca 0.28 0.10 -0.12 0.00 -1.81 0.00 0.00 61.98 60.44 1wki s VAL 132 Cb -0.19 -0.67 0.15 0.00 0.56 0.00 0.00 36.38 36.23 1wki s VAL 132 CO 0.18 0.04 1.09 -0.60 -0.31 0.00 0.00 175.10 175.50 1wki s ARG 133 N 1.74 0.98 0.00 4.82 3.52 -1.25 0.20 118.95 128.95 1wki s ARG 133 Ca -0.08 0.80 0.00 0.00 -0.13 0.00 0.00 55.73 56.33 1wki s ARG 133 Cb -0.09 -1.78 0.00 0.00 -1.56 0.00 0.00 34.95 31.52 1wki s ARG 133 CO -0.14 -2.43 0.34 0.54 -0.81 0.00 0.00 175.30 172.81 1wki n ARG 134 N -4.01 0.00 -0.74 5.12 1.74 0.17 -1.56 116.66 117.39 1wki n ARG 134 Ca 0.07 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.11 1wki n ARG 134 Cb 0.55 -1.44 -0.04 0.00 -1.02 0.00 0.00 32.46 30.52 1wki n ARG 134 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1wki n ASP 135 N -0.82 -0.51 -4.05 0.55 8.00 -1.26 -4.90 116.55 113.56 1wki n ASP 135 Ca 0.00 -1.45 -0.34 0.00 0.71 0.00 0.00 54.79 53.71 1wki n ASP 135 Cb 0.00 0.15 -0.12 0.00 -0.02 0.00 0.00 41.12 41.13 1wki n ASP 135 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wki s ALA 136 N 0.00 3.31 -0.23 2.24 0.00 -0.60 -5.05 121.76 121.43 1wki s ALA 136 Ca 0.00 -2.99 -0.00 0.00 0.00 0.00 0.00 51.96 48.96 1wki s ALA 136 Cb 0.00 -2.36 0.06 0.00 0.00 0.00 0.00 23.12 20.82 1wki s ALA 136 CO 0.00 -1.95 -0.02 0.71 0.00 0.00 0.00 175.76 174.50 1wki s TYR 137 N 0.29 1.97 -0.80 0.00 1.51 -1.26 -3.94 117.35 115.11 1wki s TYR 137 Ca 0.14 -1.49 -0.25 0.00 -1.01 0.00 0.00 57.07 54.46 1wki s TYR 137 Cb -0.22 -1.43 -0.04 0.00 -0.11 0.00 0.00 41.96 40.17 1wki s TYR 137 CO -0.03 -0.73 1.92 0.34 -1.11 0.00 0.00 175.55 175.93 1wki s ASP 138 N 1.54 5.19 0.68 2.29 2.15 -1.26 -4.96 116.67 122.30 1wki s ASP 138 Ca -0.04 -0.32 -0.15 0.00 0.43 0.00 0.00 52.55 52.47 1wki s ASP 138 Cb -0.18 -2.55 0.01 0.00 -0.30 0.00 0.00 42.92 39.90 1wki s ASP 138 CO -0.07 -2.61 1.13 -1.61 -0.17 0.00 0.00 175.17 171.83 1wki s GLU 139 N 7.02 2.62 -0.80 4.34 2.02 -1.26 -4.89 118.70 127.75 1wki s GLU 139 Ca 0.69 1.46 -0.25 0.00 0.02 0.00 0.00 54.97 56.89 1wki s GLU 139 Cb -0.09 -1.92 -0.03 0.00 0.10 0.00 0.00 34.13 32.19 1wki s GLU 139 CO 0.07 -1.40 1.88 0.00 0.02 0.00 0.00 175.26 175.82 1wki s ALA 140 N -2.28 1.92 -0.52 5.21 0.00 -1.26 -5.34 121.76 119.49 1wki s ALA 140 Ca 0.68 -1.23 0.04 0.00 0.00 0.00 0.00 51.96 51.46 1wki s ALA 140 Cb -0.22 -4.46 0.03 0.00 0.00 0.00 0.00 23.12 18.47 1wki s ALA 140 CO 0.43 -4.39 0.63 1.04 0.00 0.00 0.00 175.76 173.47