#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 4.11 -0.43 -0.89 2.34 -1.26 -5.07 118.68 117.49 1wki s LEU 2 Ca 0.00 -0.97 -0.11 0.00 0.06 0.00 0.00 54.13 53.11 1wki s LEU 2 Cb 0.00 -1.87 0.07 0.00 -0.56 0.00 0.00 46.19 43.84 1wki s LEU 2 CO 0.00 -0.27 0.29 -0.32 -1.06 0.00 0.00 176.35 174.99 1wki s MET 3 N 1.44 2.72 -0.28 1.48 1.75 -1.26 -5.05 119.30 120.10 1wki s MET 3 Ca 0.00 -1.41 -0.28 0.00 -1.25 0.00 0.00 55.69 52.75 1wki s MET 3 Cb -0.19 -3.87 -0.03 0.00 2.84 0.00 0.00 34.83 33.58 1wki s MET 3 CO 0.02 -0.96 1.87 -1.25 -0.65 0.00 0.00 175.02 174.05 1wki s PRO 4 N 1.49 3.38 0.17 4.11 0.04 -1.26 -4.98 135.00 137.95 1wki s PRO 4 Ca 0.03 1.62 0.06 0.00 0.04 0.00 0.00 61.00 62.75 1wki s PRO 4 Cb -0.23 -4.21 -0.04 0.00 0.04 0.00 0.00 34.50 30.05 1wki s PRO 4 CO 0.04 -1.80 -0.12 -0.98 0.04 0.00 0.00 177.00 174.17 1wki s ARG 5 N 5.63 1.16 -0.50 4.56 1.04 -1.26 -4.94 118.95 124.64 1wki s ARG 5 Ca 0.83 -1.48 -0.10 0.00 -1.04 0.00 0.00 55.73 53.94 1wki s ARG 5 Cb -0.26 -0.84 0.01 0.00 -2.04 0.00 0.00 34.95 31.82 1wki s ARG 5 CO 0.34 0.13 0.60 0.54 -0.04 0.00 0.00 175.30 176.86 1wki n ARG 6 N -0.19 -1.93 -3.54 3.89 5.12 -1.26 -5.04 116.66 113.71 1wki n ARG 6 Ca -0.10 1.84 -0.19 0.00 -1.93 0.00 0.00 57.85 57.47 1wki n ARG 6 Cb 0.60 -5.48 -0.01 0.00 -1.16 0.00 0.00 32.46 26.41 1wki n ARG 6 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 1wki s MET 7 N -2.68 3.08 -1.17 5.56 -1.94 -1.26 -5.04 119.30 115.85 1wki s MET 7 Ca 0.16 -1.04 -0.11 0.00 -1.71 0.00 0.00 55.69 52.99 1wki s MET 7 Cb -0.04 -2.78 0.23 0.00 2.01 0.00 0.00 34.83 34.25 1wki s MET 7 CO 0.72 0.09 1.36 1.17 -0.01 0.00 0.00 175.02 178.35 1wki n LYS 8 N -1.59 3.57 -2.69 2.03 4.81 -1.26 -4.60 118.16 118.43 1wki n LYS 8 Ca -0.01 -4.13 -0.06 0.00 -0.87 0.00 0.00 58.31 53.24 1wki n LYS 8 Cb 0.58 -2.79 0.11 0.00 0.02 0.00 0.00 35.03 32.95 1wki n LYS 8 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1wki n TYR 9 N 3.90 -2.26 -2.15 5.64 4.19 -1.26 -5.15 117.16 120.07 1wki n TYR 9 Ca 0.31 -1.79 -0.32 0.00 3.31 0.00 0.00 57.90 59.40 1wki n TYR 9 Cb 0.40 1.56 -0.00 0.00 0.49 0.00 0.00 39.34 41.79 1wki n TYR 9 CO 0.00 0.00 0.00 1.03 0.91 0.00 0.00 176.86 178.80 1wki s ARG 10 N 0.18 3.51 0.38 2.98 1.81 -1.26 -5.08 118.95 121.47 1wki s ARG 10 Ca 0.19 1.12 0.04 0.00 -1.72 0.00 0.00 55.73 55.37 1wki s ARG 10 Cb 0.37 -2.06 -0.03 0.00 -0.45 0.00 0.00 34.95 32.78 1wki s ARG 10 CO -0.09 -0.65 0.17 0.21 -0.68 0.00 0.00 175.30 174.27 1wki s LYS 11 N -4.10 1.85 0.89 3.54 2.47 -1.26 -5.15 119.74 117.98 1wki s LYS 11 Ca 0.62 -2.11 -0.11 0.00 -1.56 0.00 0.00 55.97 52.81 1wki s LYS 11 Cb -0.14 -0.34 0.12 0.00 -1.46 0.00 0.00 37.83 36.02 1wki s LYS 11 CO 0.36 -0.52 1.10 -1.14 0.16 0.00 0.00 175.35 175.30 1wki s GLN 12 N -3.66 1.32 -0.16 4.03 0.74 -1.26 -4.90 119.66 115.77 1wki s GLN 12 Ca 0.29 1.06 -0.29 0.00 0.05 0.00 0.00 55.36 56.47 1wki s GLN 12 Cb 0.03 -1.80 -0.05 0.00 1.10 0.00 0.00 33.01 32.29 1wki s GLN 12 CO 0.18 -2.26 1.94 -0.65 -0.55 0.00 0.00 175.29 173.94 1wki s GLN 13 N -4.83 3.61 -0.26 1.67 1.11 -1.26 -4.84 119.66 114.86 1wki s GLN 13 Ca 0.64 2.03 0.21 0.00 0.01 0.00 0.00 55.36 58.25 1wki s GLN 13 Cb -0.19 -4.20 0.50 0.00 -1.01 0.00 0.00 33.01 28.11 1wki s GLN 13 CO 0.58 -1.54 1.12 -2.13 0.01 0.00 0.00 175.29 173.33 1wki n ARG 14 N 8.08 1.91 0.00 2.91 0.63 -1.26 -5.01 116.66 123.92 1wki n ARG 14 Ca 0.23 -3.55 0.00 0.00 -0.92 0.00 0.00 57.85 53.62 1wki n ARG 14 Cb 0.44 -1.64 0.00 0.00 0.45 0.00 0.00 32.46 31.71 1wki n ARG 14 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wki n GLY 15 N -0.58 2.29 1.45 5.14 0.00 -1.26 -5.07 105.19 107.17 1wki n GLY 15 Ca 0.12 -0.79 0.05 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 -3.68 -2.41 1.61 5.12 -1.26 -4.64 116.66 111.40 1wki n ARG 16 Ca 0.00 2.90 -0.42 0.00 -1.93 0.00 0.00 57.85 58.41 1wki n ARG 16 Cb 0.00 -3.77 -0.03 0.00 -1.16 0.00 0.00 32.46 27.50 1wki n ARG 16 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1wki s LEU 17 N -5.84 3.39 -0.27 0.55 1.98 -1.26 -4.85 118.68 112.38 1wki s LEU 17 Ca 0.00 0.24 0.09 0.00 -2.89 0.00 0.00 54.13 51.57 1wki s LEU 17 Cb 0.00 -3.03 0.66 0.00 0.66 0.00 0.00 46.19 44.48 1wki s LEU 17 CO 0.00 -1.71 1.66 0.29 -1.89 0.00 0.00 176.35 174.70 1wki n LYS 18 N 8.68 3.56 0.00 1.98 5.02 -1.26 -4.83 118.16 131.31 1wki n LYS 18 Ca 0.12 -2.68 0.00 0.00 -2.02 0.00 0.00 58.31 53.73 1wki n LYS 18 Cb 0.49 -2.11 0.00 0.00 -0.02 0.00 0.00 35.03 33.39 1wki n LYS 18 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wki n GLY 19 N 0.02 1.54 3.78 0.72 0.00 -1.26 -5.09 105.19 104.89 1wki n GLY 19 Ca 0.34 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.16 3.12 0.00 4.61 0.00 -1.26 -4.87 121.76 121.19 1wki s ALA 20 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.74 1wki s ALA 20 Cb 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1wki s ALA 20 CO 0.00 -0.30 0.00 0.25 0.00 0.00 0.00 175.76 175.71 1wki n THR 21 N 0.03 0.00 -3.57 0.00 -2.24 -1.26 -5.02 114.28 102.22 1wki n THR 21 Ca 0.05 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.66 1wki n THR 21 Cb 0.49 -0.04 -0.07 0.00 -2.10 0.00 0.00 70.33 68.61 1wki n THR 21 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1wki s LYS 22 N -1.54 0.97 0.00 -0.78 -2.85 -1.26 -5.16 119.74 109.12 1wki s LYS 22 Ca 0.00 0.33 0.00 0.00 -1.00 0.00 0.00 55.97 55.30 1wki s LYS 22 Cb 0.00 0.46 0.00 0.00 -2.06 0.00 0.00 37.83 36.23 1wki s LYS 22 CO 0.00 -0.27 0.00 0.41 0.10 0.00 0.00 175.35 175.59 1wki n GLY 23 N 1.26 1.45 3.88 0.59 0.00 -1.26 -5.12 105.19 106.00 1wki n GLY 23 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 1wki n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wki s GLY 24 N 0.00 1.77 0.13 -0.02 0.00 -1.26 -4.96 107.32 102.97 1wki s GLY 24 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 44.72 44.47 1wki s GLY 24 CO 0.00 -0.01 0.18 1.22 0.00 0.00 0.00 173.10 174.48 1wki n ASP 25 N -1.90 0.01 -3.65 1.64 9.92 -0.88 -5.08 116.55 116.62 1wki n ASP 25 Ca 0.03 -1.06 -0.19 0.00 -0.53 0.00 0.00 54.79 53.04 1wki n ASP 25 Cb 0.54 -0.13 -0.16 0.00 -0.64 0.00 0.00 41.12 40.73 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 -1.37 -0.09 0.00 1.24 6.14 -1.26 -4.99 117.35 117.02 1wki s TYR 26 Ca 0.10 0.39 0.00 0.00 0.64 0.00 0.00 57.07 58.20 1wki s TYR 26 Cb -0.00 -0.37 0.00 0.00 0.42 0.00 0.00 41.96 42.01 1wki s TYR 26 CO 0.07 -0.31 0.35 0.28 0.64 0.00 0.00 175.55 176.59 1wki n VAL 27 N 5.31 0.00 -1.13 3.14 0.31 -1.26 -4.92 118.33 119.78 1wki n VAL 27 Ca -0.04 0.58 0.03 0.00 -0.01 0.00 0.00 64.34 64.90 1wki n VAL 27 Cb 0.50 -0.82 -0.01 0.00 -0.91 0.00 0.00 33.84 32.60 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 -1.63 -1.81 -0.71 3.52 0.00 -1.26 -4.67 120.51 113.95 1wki n ALA 28 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1wki n ALA 28 Cb 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1wki n ALA 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1wki n PHE 29 N -2.59 0.00 -1.88 0.00 3.72 -1.26 -4.76 117.46 110.68 1wki n PHE 29 Ca -0.01 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.09 1wki n PHE 29 Cb 0.38 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.99 1wki n PHE 29 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1wki s GLY 30 N 0.00 1.61 0.21 1.37 0.00 -1.26 -4.95 107.32 104.30 1wki s GLY 30 Ca 0.00 -0.46 0.11 0.00 0.00 0.00 0.00 44.72 44.37 1wki s GLY 30 CO 0.00 -0.04 1.38 -0.55 0.00 0.00 0.00 173.10 173.89 1wki h ASP 31 N -0.83 0.00 -1.69 1.64 5.19 0.40 -3.43 116.42 117.70 1wki h ASP 31 Ca -0.45 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.36 1wki h ASP 31 Cb 1.28 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 40.68 1wki h ASP 31 CO 0.65 0.73 -0.57 -0.31 -3.12 0.00 0.00 179.24 176.62 1wki s TYR 32 N -2.89 2.55 -0.21 4.55 2.02 -0.23 0.16 117.35 123.31 1wki s TYR 32 Ca 0.02 -0.59 -0.19 0.00 -0.37 0.00 0.00 57.07 55.94 1wki s TYR 32 Cb 0.09 -1.78 0.05 0.00 -0.40 0.00 0.00 41.96 39.92 1wki s TYR 32 CO 0.78 0.36 0.55 0.20 -1.57 0.00 0.00 175.55 175.87 1wki s GLY 33 N -3.78 -0.41 -0.48 0.71 0.00 0.20 -2.57 107.32 100.99 1wki s GLY 33 Ca 0.37 1.56 -0.15 0.00 0.00 0.00 0.00 44.72 46.51 1wki s GLY 33 CO 0.20 1.36 0.40 -2.27 0.00 0.00 0.00 173.10 172.78 1wki s LEU 34 N 0.33 5.69 0.03 0.66 1.98 0.27 -0.85 118.68 126.79 1wki s LEU 34 Ca -0.00 -1.47 -0.10 0.00 -2.89 0.00 0.00 54.13 49.67 1wki s LEU 34 Cb -0.04 -2.16 -0.05 0.00 0.66 0.00 0.00 46.19 44.60 1wki s LEU 34 CO 0.00 -0.68 0.35 0.54 -1.89 0.00 0.00 176.35 174.67 1wki s VAL 35 N 1.60 5.16 -0.51 1.68 0.11 -1.01 0.16 120.40 127.59 1wki s VAL 35 Ca 0.04 0.43 -0.18 0.00 -2.93 0.00 0.00 61.98 59.34 1wki s VAL 35 Cb -0.25 -3.62 0.07 0.00 -1.53 0.00 0.00 36.38 31.04 1wki s VAL 35 CO 0.05 0.38 0.56 0.00 -3.33 0.00 0.00 175.10 172.76 1wki s ALA 36 N -1.29 3.45 -1.55 1.54 0.00 0.14 -2.15 121.76 121.90 1wki s ALA 36 Ca 0.29 -1.93 0.21 0.00 0.00 0.00 0.00 51.96 50.53 1wki s ALA 36 Cb -0.14 -3.28 1.09 0.00 0.00 0.00 0.00 23.12 20.79 1wki s ALA 36 CO 0.16 -1.96 1.65 1.28 0.00 0.00 0.00 175.76 176.89 1wki n LEU 37 N 5.86 0.00 -3.89 0.00 4.77 0.13 -0.21 117.00 123.66 1wki n LEU 37 Ca -0.09 0.23 -0.12 0.00 -0.03 0.00 0.00 56.01 56.00 1wki n LEU 37 Cb 0.44 -0.23 -0.14 0.00 -2.33 0.00 0.00 43.42 41.17 1wki n LEU 37 CO 0.52 -0.07 -0.36 -0.70 -1.33 0.00 0.00 177.39 175.45 1wki s GLU 38 N -2.45 0.07 0.22 3.23 2.12 -1.23 -4.37 118.70 116.28 1wki s GLU 38 Ca 0.22 -0.09 -0.30 0.00 0.36 0.00 0.00 54.97 55.16 1wki s GLU 38 Cb 0.14 -0.02 -0.09 0.00 0.26 0.00 0.00 34.13 34.43 1wki s GLU 38 CO 0.30 0.00 1.28 -1.25 -0.54 0.00 0.00 175.26 175.05 1wki s PRO 39 N -0.19 4.42 0.28 4.30 0.04 -1.26 -4.53 135.00 138.06 1wki s PRO 39 Ca -0.02 2.03 -0.21 0.00 0.04 0.00 0.00 61.00 62.85 1wki s PRO 39 Cb -0.01 -3.19 0.03 0.00 0.04 0.00 0.00 34.50 31.37 1wki s PRO 39 CO -0.00 -0.19 0.77 0.00 0.04 0.00 0.00 177.00 177.61 1wki s ALA 40 N -0.15 -1.21 -0.42 8.56 0.00 -1.17 -4.94 121.76 122.44 1wki s ALA 40 Ca 0.54 -0.32 -0.10 0.00 0.00 0.00 0.00 51.96 52.08 1wki s ALA 40 Cb -0.36 0.80 0.08 0.00 0.00 0.00 0.00 23.12 23.63 1wki s ALA 40 CO 0.40 -1.03 0.27 -1.58 0.00 0.00 0.00 175.76 173.82 1wki s TRP 41 N -3.56 3.33 -0.29 0.00 0.51 -1.26 -1.75 118.94 115.91 1wki s TRP 41 Ca 0.12 -1.45 -0.26 0.00 -2.12 0.00 0.00 56.10 52.39 1wki s TRP 41 Cb -0.05 -2.96 0.01 0.00 -0.81 0.00 0.00 33.47 29.66 1wki s TRP 41 CO 0.07 -0.84 0.92 0.42 -0.51 0.00 0.00 176.95 177.01 1wki s ILE 42 N 1.45 4.69 0.84 2.03 -1.09 -1.12 -4.74 121.20 123.26 1wki s ILE 42 Ca 0.03 1.53 -0.12 0.00 -2.23 0.00 0.00 60.65 59.86 1wki s ILE 42 Cb -0.23 -4.25 0.10 0.00 -1.58 0.00 0.00 42.46 36.50 1wki s ILE 42 CO 0.03 -0.29 1.17 0.42 -1.23 0.00 0.00 174.94 175.04 1wki s THR 43 N 3.20 2.00 0.21 2.92 -4.23 -1.26 -0.32 115.64 118.16 1wki s THR 43 Ca 0.38 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.80 1wki s THR 43 Cb -0.14 -2.93 0.15 0.00 1.34 0.00 0.00 72.50 70.92 1wki s THR 43 CO 0.12 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 176.04 1wki h ALA 44 N -1.18 0.94 -0.98 3.99 0.00 -1.91 -2.33 119.26 117.79 1wki h ALA 44 Ca -0.47 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.47 1wki h ALA 44 Cb 1.33 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 1wki h ALA 44 CO 0.65 0.20 0.64 1.96 0.00 0.00 0.00 179.25 182.70 1wki h GLN 45 N 0.85 1.17 -0.53 0.00 1.08 -1.93 -1.69 115.11 114.06 1wki h GLN 45 Ca 0.29 -0.07 0.03 0.00 -1.45 0.00 0.00 58.65 57.45 1wki h GLN 45 Cb 0.05 -0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 27.19 1wki h GLN 45 CO -0.12 0.78 0.35 1.96 -0.95 0.00 0.00 178.83 180.85 1wki h GLN 46 N 1.21 0.59 -0.00 1.46 1.08 -1.78 2.41 115.11 120.07 1wki h GLN 46 Ca 0.40 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.56 1wki h GLN 46 Cb 0.05 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.35 1wki h GLN 46 CO -0.14 0.39 -0.01 0.82 -0.95 0.00 0.00 178.83 178.94 1wki h ILE 47 N 0.61 1.46 0.08 2.54 2.04 -1.26 -2.81 117.51 120.17 1wki h ILE 47 Ca 0.21 -1.38 -0.17 0.00 1.00 0.00 0.00 64.86 64.52 1wki h ILE 47 Cb 0.10 2.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 1wki h ILE 47 CO -0.06 0.36 -0.84 -0.08 0.00 0.00 0.00 178.15 177.53 1wki h GLU 48 N -0.56 0.16 -0.50 2.37 4.81 -1.14 -3.01 114.58 116.71 1wki h GLU 48 Ca 0.00 -0.28 0.08 0.00 -0.13 0.00 0.00 59.36 59.04 1wki h GLU 48 Cb 0.59 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.01 1wki h GLU 48 CO 0.00 1.13 0.12 0.00 -0.73 0.00 0.00 179.01 179.53 1wki h ALA 49 N -0.06 0.58 -0.46 2.92 0.00 0.40 0.74 119.26 123.37 1wki h ALA 49 Ca -0.18 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1wki h ALA 49 Cb 1.46 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1wki h ALA 49 CO 0.03 -0.29 -0.14 0.00 0.00 0.00 0.00 179.25 178.86 1wki h ALA 50 N 1.38 0.64 -0.61 0.00 0.00 -1.55 -2.89 119.26 116.25 1wki h ALA 50 Ca 0.25 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1wki h ALA 50 Cb 0.33 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1wki h ALA 50 CO -0.32 0.56 0.39 0.00 0.00 0.00 0.00 179.25 179.89 1wki h ARG 51 N 0.75 0.77 -0.73 0.00 3.08 -1.21 -0.47 114.38 116.57 1wki h ARG 51 Ca 0.11 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.16 1wki h ARG 51 Cb 0.69 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 30.52 1wki h ARG 51 CO 0.05 0.51 0.45 0.28 -1.07 0.00 0.00 179.97 180.19 1wki h VAL 52 N 0.79 1.06 -0.40 2.04 2.07 -0.79 0.44 116.25 121.45 1wki h VAL 52 Ca 0.23 -0.29 -0.12 0.00 0.82 0.00 0.00 66.70 67.34 1wki h VAL 52 Cb -0.05 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 1wki h VAL 52 CO -0.07 0.15 -0.23 0.00 0.02 0.00 0.00 177.57 177.45 1wki h ALA 53 N 1.33 0.84 -0.06 1.67 0.00 -1.23 -2.48 119.26 119.35 1wki h ALA 53 Ca 0.31 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1wki h ALA 53 Cb 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1wki h ALA 53 CO -0.14 0.64 -0.10 0.52 0.00 0.00 0.00 179.25 180.17 1wki h MET 54 N 0.70 0.17 -0.87 0.00 2.07 -0.39 -2.02 114.93 114.59 1wki h MET 54 Ca 0.09 -0.10 0.08 0.00 -2.07 0.00 0.00 59.70 57.70 1wki h MET 54 Cb 0.75 0.01 -0.06 0.00 -1.87 0.00 0.00 31.60 30.43 1wki h MET 54 CO 0.06 0.68 0.57 0.28 1.07 0.00 0.00 176.91 179.57 1wki h VAL 55 N -0.33 1.02 0.00 -2.22 2.07 -0.16 -0.86 116.25 115.77 1wki h VAL 55 Ca 0.00 -0.32 -0.15 0.00 0.82 0.00 0.00 66.70 67.06 1wki h VAL 55 Cb 0.67 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 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 0.93 0.00 0.24 1.57 3.08 -1.45 -3.29 114.38 115.46 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 30.35 1wki h ARG 56 CO -0.15 0.71 -0.12 1.25 -1.07 0.00 0.00 179.97 180.59 1wki h HIS 57 N 0.00 -0.30 -1.73 3.04 2.76 -0.39 -3.41 115.15 115.12 1wki h HIS 57 Ca -0.01 -0.01 -0.61 0.00 -2.20 0.00 0.00 60.37 57.54 1wki h HIS 57 Cb 1.30 0.10 -0.00 0.00 1.55 0.00 0.00 27.41 30.36 1wki h HIS 57 CO 0.00 -0.12 1.41 1.19 -1.30 0.00 0.00 177.93 179.10 1wki n PHE 58 N -5.19 1.93 0.04 5.26 3.72 -0.99 -4.83 117.46 117.39 1wki n PHE 58 Ca -0.09 -0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.26 1wki n PHE 58 Cb 0.18 -2.67 0.16 0.00 -0.94 0.00 0.00 39.48 36.22 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 13.28 0.42 -0.99 -1.08 3.08 -1.89 -2.92 114.38 124.28 1wki h ARG 59 Ca -0.38 -0.20 -0.57 0.00 0.07 0.00 0.00 59.98 58.90 1wki h ARG 59 Cb 1.27 -0.00 -0.30 0.00 0.08 0.00 0.00 29.97 31.01 1wki h ARG 59 CO 0.98 0.74 0.72 0.54 -1.07 0.00 0.00 179.97 181.88 1wki n ARG 60 N -4.04 2.38 -1.00 0.04 1.74 -1.26 -5.04 116.66 109.48 1wki n ARG 60 Ca -0.01 -3.10 0.13 0.00 -0.77 0.00 0.00 57.85 54.10 1wki n ARG 60 Cb 0.49 -2.21 -0.04 0.00 -1.02 0.00 0.00 32.46 29.67 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 -1.08 -2.29 0.00 -0.13 0.00 -1.10 -4.97 105.19 95.62 1wki n GLY 61 Ca 0.61 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.65 1.91 3.26 -0.02 0.00 -1.26 -4.64 105.19 100.79 1wki n GLY 62 Ca -0.02 -0.70 -0.28 0.00 0.00 0.00 0.00 46.02 45.02 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 1.73 -0.10 1.61 -2.85 -1.26 -4.89 119.74 111.97 1wki s LYS 63 Ca 0.00 -0.85 0.04 0.00 -1.00 0.00 0.00 55.97 54.15 1wki s LYS 63 Cb 0.00 -1.72 0.00 0.00 -2.06 0.00 0.00 37.83 34.05 1wki s LYS 63 CO 0.00 0.46 -0.23 0.42 0.10 0.00 0.00 175.35 176.11 1wki s ILE 64 N -0.60 1.98 -0.28 3.79 1.01 -1.26 -3.12 121.20 122.71 1wki s ILE 64 Ca 0.09 -0.97 -0.11 0.00 0.00 0.00 0.00 60.65 59.66 1wki s ILE 64 Cb -0.09 -1.72 -0.05 0.00 0.01 0.00 0.00 42.46 40.61 1wki s ILE 64 CO -0.00 0.54 0.18 -0.36 0.00 0.00 0.00 174.94 175.30 1wki s PHE 65 N 0.44 3.21 -0.26 3.97 0.08 -0.26 -4.95 117.98 120.21 1wki s PHE 65 Ca -0.17 0.08 -0.10 0.00 0.12 0.00 0.00 56.93 56.87 1wki s PHE 65 Cb -0.17 -2.37 -0.05 0.00 -0.57 0.00 0.00 43.02 39.86 1wki s PHE 65 CO 0.07 -0.17 0.15 0.42 -0.10 0.00 0.00 175.22 175.58 1wki s ILE 66 N 1.75 5.10 -0.08 0.64 -1.09 -1.26 -2.63 121.20 123.63 1wki s ILE 66 Ca 0.07 0.09 0.12 0.00 -2.23 0.00 0.00 60.65 58.71 1wki s ILE 66 Cb -0.16 -3.40 -0.24 0.00 -1.58 0.00 0.00 42.46 37.09 1wki s ILE 66 CO 0.11 0.31 0.52 0.54 -1.23 0.00 0.00 174.94 175.19 1wki n ARG 67 N 4.69 0.65 -2.45 2.79 5.12 -1.13 -4.91 116.66 121.42 1wki n ARG 67 Ca -0.15 0.24 -0.40 0.00 -1.93 0.00 0.00 57.85 55.60 1wki n ARG 67 Cb 0.52 -1.73 -0.04 0.00 -1.16 0.00 0.00 32.46 30.04 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 -2.57 3.49 -0.01 0.55 -4.36 -1.26 -5.05 121.20 111.98 1wki s ILE 68 Ca -0.07 1.46 -0.00 0.00 -0.26 0.00 0.00 60.65 61.77 1wki s ILE 68 Cb 0.08 -3.93 0.01 0.00 1.25 0.00 0.00 42.46 39.87 1wki s ILE 68 CO 0.82 0.33 0.02 -0.36 0.24 0.00 0.00 174.94 175.99 1wki s PHE 69 N -0.99 0.00 -0.41 1.37 0.08 -1.26 -5.06 117.98 111.71 1wki s PHE 69 Ca 0.46 0.06 -0.27 0.00 0.12 0.00 0.00 56.93 57.30 1wki s PHE 69 Cb -0.32 -0.08 -0.05 0.00 -0.57 0.00 0.00 43.02 42.00 1wki s PHE 69 CO 0.41 -0.03 2.14 -2.14 -0.10 0.00 0.00 175.22 175.49 1wki s PRO 70 N 0.38 2.70 -0.01 0.24 0.02 -1.26 -4.33 135.00 132.74 1wki s PRO 70 Ca -0.03 1.42 -0.00 0.00 0.02 0.00 0.00 61.00 62.41 1wki s PRO 70 Cb -0.04 -4.42 -0.00 0.00 0.02 0.00 0.00 34.50 30.05 1wki s PRO 70 CO -0.01 -2.60 -0.01 -0.25 -0.33 0.00 0.00 177.00 173.80 1wki n ASP 71 N 13.16 2.95 -4.68 2.53 9.92 -0.74 -4.75 116.55 134.93 1wki n ASP 71 Ca 0.29 -0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 54.13 1wki n ASP 71 Cb 0.50 -0.01 -0.03 0.00 -0.64 0.00 0.00 41.12 40.94 1wki n ASP 71 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1wki s LYS 72 N -2.01 4.33 0.52 -1.24 2.47 -0.31 -4.85 119.74 118.65 1wki s LYS 72 Ca -0.01 1.64 -0.21 0.00 -1.56 0.00 0.00 55.97 55.83 1wki s LYS 72 Cb 0.00 -3.59 -0.06 0.00 -1.46 0.00 0.00 37.83 32.72 1wki s LYS 72 CO 0.01 -0.48 1.22 -1.25 0.16 0.00 0.00 175.35 175.01 1wki s PRO 73 N 2.43 3.39 -0.58 4.03 0.04 -1.26 -0.45 135.00 142.60 1wki s PRO 73 Ca 0.55 1.90 -0.02 0.00 0.04 0.00 0.00 61.00 63.46 1wki s PRO 73 Cb -0.23 -2.23 0.15 0.00 0.04 0.00 0.00 34.50 32.22 1wki s PRO 73 CO 0.20 -0.89 0.39 -0.47 0.04 0.00 0.00 177.00 176.27 1wki s TYR 74 N -1.51 3.43 -0.15 0.56 6.14 -1.22 -4.79 117.35 119.81 1wki s TYR 74 Ca 0.69 -2.69 0.02 0.00 0.64 0.00 0.00 57.07 55.73 1wki s TYR 74 Cb -0.32 -3.18 0.01 0.00 0.42 0.00 0.00 41.96 38.89 1wki s TYR 74 CO 0.37 -0.86 -0.20 0.95 0.64 0.00 0.00 175.55 176.45 1wki s THR 75 N 0.13 2.23 -0.10 4.34 -4.23 -1.26 -2.01 115.64 114.74 1wki s THR 75 Ca 0.15 -0.92 0.12 0.00 -1.18 0.00 0.00 61.69 59.86 1wki s THR 75 Cb -0.21 -1.91 0.25 0.00 1.34 0.00 0.00 72.50 71.97 1wki s THR 75 CO -0.03 0.54 1.17 0.29 -0.54 0.00 0.00 174.62 176.05 1wki n LYS 76 N 4.09 0.50 -2.73 3.99 5.02 -1.26 -5.09 118.16 122.68 1wki n LYS 76 Ca -0.20 -1.57 -0.43 0.00 -2.02 0.00 0.00 58.31 54.10 1wki n LYS 76 Cb 0.52 0.12 -0.03 0.00 -0.02 0.00 0.00 35.03 35.62 1wki n LYS 76 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1wki s LYS 77 N -0.41 3.67 -0.05 1.97 -0.14 -1.26 -5.01 119.74 118.50 1wki s LYS 77 Ca 0.13 0.40 -0.30 0.00 -1.36 0.00 0.00 55.97 54.84 1wki s LYS 77 Cb 0.23 -3.90 -0.03 0.00 -1.68 0.00 0.00 37.83 32.45 1wki s LYS 77 CO -0.07 -1.24 1.19 -1.25 -0.76 0.00 0.00 175.35 173.22 1wki s PRO 78 N 3.99 4.36 -0.42 -1.68 0.04 -1.26 -4.96 135.00 135.08 1wki s PRO 78 Ca 0.42 1.66 -0.28 0.00 0.04 0.00 0.00 61.00 62.84 1wki s PRO 78 Cb -0.09 -3.54 -0.02 0.00 0.04 0.00 0.00 34.50 30.88 1wki s PRO 78 CO 0.27 -0.42 1.85 -0.51 0.04 0.00 0.00 177.00 178.23 1wki s LEU 79 N 2.12 3.44 0.00 -3.56 1.02 -1.26 -4.33 118.68 116.11 1wki s LEU 79 Ca 0.56 1.03 0.00 0.00 0.02 0.00 0.00 54.13 55.73 1wki s LEU 79 Cb -0.25 -3.18 0.00 0.00 0.02 0.00 0.00 46.19 42.78 1wki s LEU 79 CO 0.22 -1.96 0.00 1.21 0.02 0.00 0.00 176.35 175.84 1wki n GLU 80 N 8.67 0.00 -1.83 1.70 2.13 -1.26 -5.14 120.64 124.91 1wki n GLU 80 Ca 0.23 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.70 1wki n GLU 80 Cb 0.49 0.00 0.05 0.00 0.27 0.00 0.00 31.44 32.25 1wki n GLU 80 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1wki s VAL 81 N -1.90 2.66 -0.03 6.31 -7.23 -1.26 -4.96 120.40 113.98 1wki s VAL 81 Ca 0.00 0.37 -0.30 0.00 -1.81 0.00 0.00 61.98 60.24 1wki s VAL 81 Cb 0.00 -3.04 -0.03 0.00 0.56 0.00 0.00 36.38 33.87 1wki s VAL 81 CO 0.00 -0.13 1.12 -0.13 -0.31 0.00 0.00 175.10 175.66 1wki s ARG 82 N -3.59 4.42 1.30 4.82 0.52 -1.26 -5.03 118.95 120.12 1wki s ARG 82 Ca 0.75 1.60 -0.22 0.00 -0.52 0.00 0.00 55.73 57.34 1wki s ARG 82 Cb -0.28 -3.49 0.33 0.00 0.52 0.00 0.00 34.95 32.03 1wki s ARG 82 CO 0.37 -0.31 1.00 -0.12 0.02 0.00 0.00 175.30 176.26 1wki n MET 83 N 4.65 -3.75 0.00 3.54 1.56 -1.26 -5.05 117.12 116.81 1wki n MET 83 Ca 0.09 -1.62 0.00 0.00 -0.27 0.00 0.00 57.70 55.90 1wki n MET 83 Cb 0.48 -1.70 0.00 0.00 2.15 0.00 0.00 33.22 34.14 1wki n MET 83 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1wki n GLY 84 N -5.03 1.60 0.14 -5.12 0.00 -1.26 -5.00 105.19 90.53 1wki n GLY 84 Ca 0.14 0.28 0.12 0.00 0.00 0.00 0.00 46.02 46.57 1wki n GLY 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wki h LYS 85 N 0.00 0.00 0.00 1.61 1.79 -2.07 -3.47 116.57 114.43 1wki h LYS 85 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1wki h LYS 85 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1wki h LYS 85 CO 0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 1wki n GLY 86 N 1.20 6.31 2.18 3.86 0.00 -1.26 -5.09 105.19 112.40 1wki n GLY 86 Ca 0.03 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1wki n GLY 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wki n LYS 87 N 0.00 0.94 0.00 1.61 4.81 -1.26 -4.95 118.16 119.30 1wki n LYS 87 Ca 0.00 -2.37 0.00 0.00 -0.87 0.00 0.00 58.31 55.07 1wki n LYS 87 Cb 0.00 -0.53 0.00 0.00 0.02 0.00 0.00 35.03 34.52 1wki n LYS 87 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wki n GLY 88 N -0.35 -2.84 3.90 3.14 0.00 -1.26 -5.01 105.19 102.77 1wki n GLY 88 Ca -0.02 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.45 1wki n GLY 88 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wki s ASN 89 N -2.34 6.32 0.71 1.61 2.47 -1.26 -5.10 114.94 117.36 1wki s ASN 89 Ca 0.00 0.32 -0.12 0.00 0.42 0.00 0.00 52.86 53.49 1wki s ASN 89 Cb 0.00 -1.97 0.02 0.00 -1.45 0.00 0.00 41.25 37.85 1wki s ASN 89 CO 0.00 0.25 1.08 0.54 -3.72 0.00 0.00 177.10 175.25 1wki s VAL 90 N -1.34 3.60 -0.47 -5.21 0.11 -1.26 -4.94 120.40 110.89 1wki s VAL 90 Ca 0.28 0.57 -0.01 0.00 -2.93 0.00 0.00 61.98 59.88 1wki s VAL 90 Cb -0.13 -3.15 0.30 0.00 -1.53 0.00 0.00 36.38 31.88 1wki s VAL 90 CO 0.19 -0.63 2.06 -0.62 -3.33 0.00 0.00 175.10 172.78 1wki n GLU 91 N -3.09 2.19 -1.47 1.54 1.02 -0.85 -5.00 120.64 114.98 1wki n GLU 91 Ca 0.09 -2.30 0.03 0.00 -0.02 0.00 0.00 57.16 54.96 1wki n GLU 91 Cb 0.53 -1.91 -0.02 0.00 -0.02 0.00 0.00 31.44 30.02 1wki n GLU 91 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wki n GLY 92 N -0.14 -3.89 3.81 0.62 0.00 -1.26 -4.75 105.19 99.58 1wki n GLY 92 Ca 0.44 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 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 -5.14 3.26 0.29 1.61 1.51 -1.26 -3.46 117.35 114.16 1wki s TYR 93 Ca 0.00 1.62 0.06 0.00 -1.01 0.00 0.00 57.07 57.75 1wki s TYR 93 Cb 0.00 -2.94 -0.06 0.00 -0.11 0.00 0.00 41.96 38.85 1wki s TYR 93 CO 0.00 -0.31 -0.04 0.14 -1.11 0.00 0.00 175.55 174.22 1wki s VAL 94 N -2.02 1.61 -0.33 0.71 -7.23 0.40 -3.17 120.40 110.38 1wki s VAL 94 Ca 0.62 -2.11 0.01 0.00 -1.81 0.00 0.00 61.98 58.69 1wki s VAL 94 Cb -0.13 -2.51 0.08 0.00 0.56 0.00 0.00 36.38 34.39 1wki s VAL 94 CO 0.17 -0.26 0.04 0.00 -0.31 0.00 0.00 175.10 174.74 1wki s ALA 95 N -3.03 2.86 0.20 1.32 0.00 0.57 -1.17 121.76 122.51 1wki s ALA 95 Ca 0.30 -2.22 -0.32 0.00 0.00 0.00 0.00 51.96 49.72 1wki s ALA 95 Cb 0.04 -1.97 -0.12 0.00 0.00 0.00 0.00 23.12 21.08 1wki s ALA 95 CO 0.13 -1.52 1.74 0.28 0.00 0.00 0.00 175.76 176.38 1wki n VAL 96 N 4.43 0.05 -4.37 0.00 0.31 -1.26 -2.79 118.33 114.70 1wki n VAL 96 Ca -0.04 -0.01 -0.19 0.00 -0.01 0.00 0.00 64.34 64.08 1wki n VAL 96 Cb 0.42 -2.01 -0.10 0.00 -0.91 0.00 0.00 33.84 31.24 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 1.39 1.65 0.16 2.52 1.01 -0.71 -4.99 120.40 121.42 1wki s VAL 97 Ca 0.76 -2.17 0.05 0.00 0.00 0.00 0.00 61.98 60.62 1wki s VAL 97 Cb -0.50 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 1wki s VAL 97 CO 0.33 -0.48 -0.11 -1.59 0.00 0.00 0.00 175.10 173.25 1wki s LYS 98 N -3.69 1.11 0.01 2.72 -2.85 -1.26 -3.02 119.74 112.76 1wki s LYS 98 Ca 0.25 -1.48 -0.36 0.00 -1.00 0.00 0.00 55.97 53.39 1wki s LYS 98 Cb 0.01 -0.70 -0.15 0.00 -2.06 0.00 0.00 37.83 34.93 1wki s LYS 98 CO 0.09 0.09 1.59 -2.30 0.10 0.00 0.00 175.35 174.91 1wki n PRO 99 N -0.23 1.67 -1.06 1.78 -0.02 -1.21 -2.23 135.00 133.69 1wki n PRO 99 Ca -0.10 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1wki n PRO 99 Cb 0.61 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 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 3.45 1.14 3.31 -1.23 0.00 0.71 -4.92 105.19 107.64 1wki n GLY 100 Ca 0.20 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 1wki n GLY 100 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wki s ARG 101 N -2.55 3.24 -0.54 1.61 1.81 -0.95 -2.08 118.95 119.49 1wki s ARG 101 Ca 0.00 -0.72 -0.28 0.00 -1.72 0.00 0.00 55.73 53.01 1wki s ARG 101 Cb 0.00 -3.10 0.02 0.00 -0.45 0.00 0.00 34.95 31.42 1wki s ARG 101 CO 0.00 -0.28 1.38 0.08 -0.68 0.00 0.00 175.30 175.80 1wki s VAL 102 N 1.46 3.84 -0.07 3.52 1.01 -1.26 0.23 120.40 129.15 1wki s VAL 102 Ca 0.04 0.75 0.08 0.00 0.00 0.00 0.00 61.98 62.86 1wki s VAL 102 Cb -0.15 -4.45 -0.24 0.00 0.00 0.00 0.00 36.38 31.54 1wki s VAL 102 CO -0.02 -1.14 0.57 0.23 0.00 0.00 0.00 175.10 174.74 1wki n MET 103 N 8.53 0.66 -4.31 2.72 0.00 0.12 -4.63 117.12 120.22 1wki n MET 103 Ca 0.12 0.28 -0.17 0.00 0.00 0.00 0.00 57.70 57.94 1wki n MET 103 Cb 0.49 -1.76 -0.10 0.00 0.00 0.00 0.00 33.22 31.84 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 -2.58 1.51 -0.30 2.03 0.40 -1.11 -2.82 117.98 115.11 1wki s PHE 104 Ca -0.09 -0.81 -0.11 0.00 -0.60 0.00 0.00 56.93 55.32 1wki s PHE 104 Cb 0.08 -0.83 0.17 0.00 0.51 0.00 0.00 43.02 42.95 1wki s PHE 104 CO 0.81 0.07 0.87 -1.83 0.70 0.00 0.00 175.22 175.85 1wki s GLU 105 N -3.79 0.37 0.38 0.44 1.03 -1.08 0.96 118.70 117.01 1wki s GLU 105 Ca 0.24 0.81 0.07 0.00 0.03 0.00 0.00 54.97 56.12 1wki s GLU 105 Cb 0.04 0.48 0.00 0.00 -0.80 0.00 0.00 34.13 33.85 1wki s GLU 105 CO 0.06 -0.24 0.53 0.14 -1.33 0.00 0.00 175.26 174.42 1wki s VAL 106 N 2.71 3.45 -0.19 1.83 -7.23 -1.06 -1.11 120.40 118.80 1wki s VAL 106 Ca 0.02 -1.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.93 1wki s VAL 106 Cb -0.10 -3.17 0.07 0.00 0.56 0.00 0.00 36.38 33.74 1wki s VAL 106 CO -0.17 -0.07 0.68 0.00 -0.31 0.00 0.00 175.10 175.24 1wki s ALA 107 N -2.28 -1.71 0.00 1.32 0.00 -1.18 0.10 121.76 118.01 1wki s ALA 107 Ca 0.51 1.74 0.00 0.00 0.00 0.00 0.00 51.96 54.21 1wki s ALA 107 Cb -0.10 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.24 1wki s ALA 107 CO 0.32 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.15 1wki n GLY 108 N 2.16 2.77 3.80 0.00 0.00 -1.26 -4.06 105.19 108.60 1wki n GLY 108 Ca -0.16 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.02 2.43 1.08 1.61 -7.23 -1.26 -5.06 120.40 110.95 1wki s VAL 109 Ca 0.00 0.14 -0.18 0.00 -1.81 0.00 0.00 61.98 60.13 1wki s VAL 109 Cb 0.00 -2.91 0.25 0.00 0.56 0.00 0.00 36.38 34.27 1wki s VAL 109 CO 0.00 -0.18 1.23 0.42 -0.31 0.00 0.00 175.10 176.26 1wki s THR 110 N -3.26 1.81 0.05 5.32 -4.23 -1.26 -4.80 115.64 109.27 1wki s THR 110 Ca 0.62 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.97 1wki s THR 110 Cb -0.14 -2.77 -0.18 0.00 1.34 0.00 0.00 72.50 70.75 1wki s THR 110 CO 0.53 0.00 1.24 -0.08 -0.54 0.00 0.00 174.62 175.77 1wki h GLU 111 N -2.11 0.57 -0.58 3.99 4.81 -1.97 0.53 114.58 119.83 1wki h GLU 111 Ca -0.44 -0.47 -0.01 0.00 -0.13 0.00 0.00 59.36 58.30 1wki h GLU 111 Cb 1.26 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.71 1wki h GLU 111 CO 0.35 1.10 0.32 1.49 -0.73 0.00 0.00 179.01 181.53 1wki h GLU 112 N 0.19 0.80 -0.05 1.92 4.81 -1.98 0.71 114.58 120.99 1wki h GLU 112 Ca -0.04 -0.09 -0.25 0.00 -0.13 0.00 0.00 59.36 58.85 1wki h GLU 112 Cb 1.21 -0.16 0.02 0.00 0.63 0.00 0.00 28.75 30.45 1wki h GLU 112 CO 0.12 0.61 -0.95 1.96 -0.73 0.00 0.00 179.01 180.02 1wki h GLN 113 N 0.78 0.70 -0.09 1.92 4.20 -1.94 -2.26 115.11 118.42 1wki h GLN 113 Ca 0.20 -0.69 -0.03 0.00 0.06 0.00 0.00 58.65 58.20 1wki h GLN 113 Cb 0.04 0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 1wki h GLN 113 CO -0.03 1.28 -0.05 0.00 -0.67 0.00 0.00 178.83 179.36 1wki h ALA 114 N 0.49 0.12 -0.41 3.87 0.00 -0.70 0.26 119.26 122.89 1wki h ALA 114 Ca -0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1wki h ALA 114 Cb 1.59 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 1wki h ALA 114 CO 0.19 -0.11 0.21 0.52 0.00 0.00 0.00 179.25 180.06 1wki h MET 115 N -0.20 0.58 -0.09 0.00 2.86 0.34 0.48 114.93 118.91 1wki h MET 115 Ca 0.02 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1wki h MET 115 Cb 0.51 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 1wki h MET 115 CO 0.01 0.49 0.02 1.49 1.06 0.00 0.00 176.91 179.98 1wki h GLU 116 N 0.53 0.15 -0.20 1.72 4.81 -1.43 -1.26 114.58 118.91 1wki h GLU 116 Ca 0.14 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1wki h GLU 116 Cb 0.09 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1wki h GLU 116 CO -0.02 0.36 0.06 0.00 -0.73 0.00 0.00 179.01 178.68 1wki h ALA 117 N 0.78 0.21 -0.21 2.92 0.00 -0.82 0.27 119.26 122.42 1wki h ALA 117 Ca 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1wki h ALA 117 Cb 0.28 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1wki h ALA 117 CO 0.00 -0.37 0.10 -0.07 0.00 0.00 0.00 179.25 178.91 1wki h LEU 118 N 0.14 0.24 -0.15 0.00 4.07 -0.87 -1.84 115.31 116.91 1wki h LEU 118 Ca 0.09 -0.01 -0.23 0.00 0.08 0.00 0.00 57.88 57.80 1wki h LEU 118 Cb 0.07 -0.06 0.01 0.00 1.08 0.00 0.00 40.66 41.75 1wki h LEU 118 CO -0.10 0.21 -0.88 0.03 -1.08 0.00 0.00 178.44 176.62 1wki h ARG 119 N 0.28 0.65 -0.74 1.13 3.08 -0.17 -3.08 114.38 115.52 1wki h ARG 119 Ca 0.07 -0.60 0.09 0.00 0.07 0.00 0.00 59.98 59.61 1wki h ARG 119 Cb 0.03 0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.17 1wki h ARG 119 CO -0.01 1.21 0.49 0.82 -1.07 0.00 0.00 179.97 181.41 1wki h ILE 120 N 0.41 0.97 -0.13 2.04 2.04 0.35 0.16 117.51 123.35 1wki h ILE 120 Ca -0.08 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 1wki h ILE 120 Cb 1.51 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1wki h ILE 120 CO 0.17 0.13 -0.03 0.00 0.00 0.00 0.00 178.15 178.41 1wki h ALA 121 N 1.62 0.17 0.00 1.87 0.00 -1.45 -2.97 119.26 118.49 1wki h ALA 121 Ca 0.34 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1wki h ALA 121 Cb 0.40 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1wki h ALA 121 CO -0.12 -0.08 -0.16 0.78 0.00 0.00 0.00 179.25 179.68 1wki h GLY 122 N -0.07 0.00 0.79 0.00 0.00 -1.26 -2.94 103.07 99.58 1wki h GLY 122 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.41 1wki h GLY 122 CO 0.01 0.00 0.46 0.45 0.00 0.00 0.00 176.54 177.46 1wki h HIS 123 N 0.00 0.86 -0.01 5.60 -0.00 -0.54 -0.46 115.15 120.60 1wki h HIS 123 Ca -0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1wki h HIS 123 Cb 0.53 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.66 1wki h HIS 123 CO 0.00 0.46 -0.04 0.36 -0.00 0.00 0.00 177.93 178.71 1wki n LYS 124 N -4.67 1.28 -2.82 2.45 2.85 -1.12 -4.88 118.16 111.24 1wki n LYS 124 Ca 0.09 -0.58 -0.31 0.00 -1.05 0.00 0.00 58.31 56.46 1wki n LYS 124 Cb 0.13 -1.49 -0.04 0.00 -0.65 0.00 0.00 35.03 32.98 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 -2.12 3.85 -0.19 -5.58 1.43 -0.18 -4.97 118.68 110.91 1wki s LEU 125 Ca 0.38 1.29 0.03 0.00 -1.03 0.00 0.00 54.13 54.80 1wki s LEU 125 Cb 0.21 -4.17 0.34 0.00 0.03 0.00 0.00 46.19 42.60 1wki s LEU 125 CO 0.38 -0.39 1.36 -0.81 0.23 0.00 0.00 176.35 177.12 1wki n PRO 126 N -1.10 1.91 -3.88 1.29 -0.04 -1.26 -4.88 135.00 127.03 1wki n PRO 126 Ca 0.04 -1.46 -0.09 0.00 -0.04 0.00 0.00 63.50 61.95 1wki n PRO 126 Cb 0.54 -1.64 -0.05 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.64 0.03 -0.13 0.52 -5.25 -1.26 -4.92 121.20 108.55 1wki s ILE 127 Ca 0.27 -1.15 -0.25 0.00 -0.99 0.00 0.00 60.65 58.53 1wki s ILE 127 Cb 0.22 -1.83 -0.02 0.00 2.95 0.00 0.00 42.46 43.78 1wki s ILE 127 CO 0.06 -0.15 0.82 -0.75 -1.79 0.00 0.00 174.94 173.13 1wki s LYS 128 N -3.94 4.35 0.12 0.37 2.36 -1.26 -4.91 119.74 116.82 1wki s LYS 128 Ca 0.15 1.03 0.07 0.00 -2.55 0.00 0.00 55.97 54.67 1wki s LYS 128 Cb 0.00 -3.54 -0.04 0.00 -1.05 0.00 0.00 37.83 33.21 1wki s LYS 128 CO 0.01 -0.23 -0.17 0.95 1.55 0.00 0.00 175.35 177.47 1wki s THR 129 N 1.78 1.49 0.07 3.43 -4.23 -1.26 0.20 115.64 117.12 1wki s THR 129 Ca 0.39 -1.63 0.03 0.00 -1.18 0.00 0.00 61.69 59.30 1wki s THR 129 Cb -0.17 -1.51 -0.03 0.00 1.34 0.00 0.00 72.50 72.13 1wki s THR 129 CO 0.15 -0.26 -0.09 -1.59 -0.54 0.00 0.00 174.62 172.28 1wki s LYS 130 N -2.31 0.72 0.03 3.99 -2.85 -0.91 -4.96 119.74 113.44 1wki s LYS 130 Ca 0.07 -1.02 -0.25 0.00 -1.00 0.00 0.00 55.97 53.78 1wki s LYS 130 Cb -0.07 -0.41 -0.05 0.00 -2.06 0.00 0.00 37.83 35.23 1wki s LYS 130 CO 0.04 0.06 0.76 0.42 0.10 0.00 0.00 175.35 176.73 1wki s ILE 131 N -2.14 4.77 -0.04 3.79 -1.09 -1.26 -2.40 121.20 122.82 1wki s ILE 131 Ca 0.00 1.62 -0.01 0.00 -2.23 0.00 0.00 60.65 60.03 1wki s ILE 131 Cb -0.05 -4.11 0.03 0.00 -1.58 0.00 0.00 42.46 36.76 1wki s ILE 131 CO -0.00 0.35 0.08 0.68 -1.23 0.00 0.00 174.94 174.82 1wki s VAL 132 N 0.06 -0.06 0.93 2.92 -7.23 -0.03 -4.96 120.40 112.03 1wki s VAL 132 Ca 0.39 0.21 -0.12 0.00 -1.81 0.00 0.00 61.98 60.65 1wki s VAL 132 Cb -0.20 -0.16 0.15 0.00 0.56 0.00 0.00 36.38 36.73 1wki s VAL 132 CO 0.23 0.09 1.09 -0.60 -0.31 0.00 0.00 175.10 175.59 1wki s ARG 133 N 1.17 0.97 0.00 4.82 3.52 -1.26 0.59 118.95 128.75 1wki s ARG 133 Ca -0.09 0.84 0.00 0.00 -0.13 0.00 0.00 55.73 56.36 1wki s ARG 133 Cb -0.12 -1.77 0.00 0.00 -1.56 0.00 0.00 34.95 31.49 1wki s ARG 133 CO -0.04 -2.45 0.19 -2.13 -0.81 0.00 0.00 175.30 170.05 1wki n ARG 134 N -4.03 0.00 -0.62 5.12 0.63 0.42 -1.71 116.66 116.47 1wki n ARG 134 Ca 0.07 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.98 1wki n ARG 134 Cb 0.55 -1.20 -0.02 0.00 0.45 0.00 0.00 32.46 32.24 1wki n ARG 134 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1wki n ASP 135 N -0.66 -0.31 -4.05 6.15 8.00 -1.26 -4.77 116.55 119.65 1wki n ASP 135 Ca 0.00 -1.19 -0.34 0.00 0.71 0.00 0.00 54.79 53.97 1wki n ASP 135 Cb 0.00 0.09 -0.12 0.00 -0.02 0.00 0.00 41.12 41.07 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 3.30 -0.12 2.24 0.00 -0.69 -5.06 121.76 121.42 1wki s ALA 136 Ca 0.00 -2.99 -0.00 0.00 0.00 0.00 0.00 51.96 48.97 1wki s ALA 136 Cb 0.00 -2.35 0.02 0.00 0.00 0.00 0.00 23.12 20.79 1wki s ALA 136 CO 0.00 -1.95 -0.09 0.71 0.00 0.00 0.00 175.76 174.43 1wki s TYR 137 N 0.29 1.65 0.17 0.00 1.51 -1.26 -4.05 117.35 115.67 1wki s TYR 137 Ca 0.14 -0.85 -0.00 0.00 -1.01 0.00 0.00 57.07 55.35 1wki s TYR 137 Cb -0.22 -1.32 -0.04 0.00 -0.11 0.00 0.00 41.96 40.27 1wki s TYR 137 CO -0.03 -0.55 0.35 0.34 -1.11 0.00 0.00 175.55 174.55 1wki s ASP 138 N 1.63 6.38 0.01 2.29 -1.08 -1.26 -5.04 116.67 119.61 1wki s ASP 138 Ca 0.04 0.35 -0.30 0.00 -0.52 0.00 0.00 52.55 52.13 1wki s ASP 138 Cb -0.13 -1.99 -0.08 0.00 -1.46 0.00 0.00 42.92 39.27 1wki s ASP 138 CO -0.09 0.00 1.80 -1.61 0.52 0.00 0.00 175.17 175.80 1wki s GLU 139 N -3.19 4.16 -0.72 4.34 2.02 -1.26 -4.93 118.70 119.13 1wki s GLU 139 Ca 0.37 2.42 -0.25 0.00 0.02 0.00 0.00 54.97 57.53 1wki s GLU 139 Cb -0.11 -3.98 0.05 0.00 0.10 0.00 0.00 34.13 30.18 1wki s GLU 139 CO 0.28 -0.88 1.16 0.00 0.02 0.00 0.00 175.26 175.85 1wki s ALA 140 N 3.93 2.89 0.00 5.21 0.00 -1.26 -5.31 121.76 127.22 1wki s ALA 140 Ca 0.80 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1wki s ALA 140 Cb -0.39 -4.11 0.00 0.00 0.00 0.00 0.00 23.12 18.62 1wki s ALA 140 CO 0.35 -3.10 0.00 1.04 0.00 0.00 0.00 175.76 174.05