#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 -0.02 -4.62 4.03 4.77 -1.26 -5.05 117.00 114.86 1wki n LEU 2 Ca 0.00 0.14 -0.43 0.00 -0.03 0.00 0.00 56.01 55.69 1wki n LEU 2 Cb 0.00 0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1wki n LEU 2 CO 0.00 -0.59 1.08 -0.32 -1.33 0.00 0.00 177.39 176.24 1wki s MET 3 N -1.29 3.81 -0.07 3.23 1.75 -1.26 -5.00 119.30 120.46 1wki s MET 3 Ca 0.00 0.92 -0.30 0.00 -1.25 0.00 0.00 55.69 55.06 1wki s MET 3 Cb 0.00 -3.89 -0.02 0.00 2.84 0.00 0.00 34.83 33.76 1wki s MET 3 CO 0.00 -1.26 1.10 -1.25 -0.65 0.00 0.00 175.02 172.97 1wki s PRO 4 N 4.32 4.39 0.40 4.11 0.04 -1.26 -4.76 135.00 142.24 1wki s PRO 4 Ca 0.52 1.54 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1wki s PRO 4 Cb -0.12 -3.54 0.00 0.00 0.04 0.00 0.00 34.50 30.88 1wki s PRO 4 CO 0.26 -0.37 0.00 0.54 0.04 0.00 0.00 177.00 177.48 1wki n ARG 5 N 5.03 -4.30 -2.45 4.56 3.00 -1.26 -4.96 116.66 116.28 1wki n ARG 5 Ca 0.10 3.15 -0.02 0.00 -0.01 0.00 0.00 57.85 61.07 1wki n ARG 5 Cb 0.47 -3.50 -0.02 0.00 0.00 0.00 0.00 32.46 29.41 1wki n ARG 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1wki n ARG 6 N -0.23 -4.69 -3.24 5.56 5.12 -1.26 -4.94 116.66 112.98 1wki n ARG 6 Ca 0.00 3.44 -0.38 0.00 -1.93 0.00 0.00 57.85 58.98 1wki n ARG 6 Cb 0.00 -4.56 -0.06 0.00 -1.16 0.00 0.00 32.46 26.68 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 -0.58 4.36 0.35 5.56 -1.94 -1.26 -4.96 119.30 120.83 1wki s MET 7 Ca -0.10 0.57 0.10 0.00 -1.71 0.00 0.00 55.69 54.55 1wki s MET 7 Cb 0.01 -3.44 0.65 0.00 2.01 0.00 0.00 34.83 34.05 1wki s MET 7 CO 0.27 0.12 1.80 -0.22 -0.01 0.00 0.00 175.02 176.98 1wki h LYS 8 N 6.76 0.10 -5.26 2.03 3.64 -1.94 -3.40 116.57 118.50 1wki h LYS 8 Ca -0.41 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1wki h LYS 8 Cb 1.18 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1wki h LYS 8 CO 0.76 0.45 0.03 0.98 -2.27 0.00 0.00 179.45 179.39 1wki n TYR 9 N -4.10 1.08 -3.89 1.91 4.19 -1.26 -4.90 117.16 110.19 1wki n TYR 9 Ca -0.02 -0.06 -0.27 0.00 3.31 0.00 0.00 57.90 60.87 1wki n TYR 9 Cb 0.41 -2.60 -0.03 0.00 0.49 0.00 0.00 39.34 37.61 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 8.80 3.46 0.00 2.98 3.00 -1.26 -5.02 118.95 130.91 1wki s ARG 10 Ca 0.90 -0.53 0.00 0.00 0.00 0.00 0.00 55.73 56.10 1wki s ARG 10 Cb -0.11 -2.94 0.00 0.00 0.00 0.00 0.00 34.95 31.89 1wki s ARG 10 CO 0.12 0.50 0.00 1.17 0.00 0.00 0.00 175.30 177.08 1wki n LYS 11 N -0.53 0.00 -1.98 3.54 4.81 -1.26 -5.03 118.16 117.70 1wki n LYS 11 Ca -0.06 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.95 1wki n LYS 11 Cb 0.54 -0.57 -0.03 0.00 0.02 0.00 0.00 35.03 34.99 1wki n LYS 11 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1wki s GLN 12 N -1.83 4.18 0.34 1.64 0.74 -1.26 -4.99 119.66 118.48 1wki s GLN 12 Ca 0.00 2.22 -0.06 0.00 0.05 0.00 0.00 55.36 57.57 1wki s GLN 12 Cb 0.00 -3.97 -0.05 0.00 1.10 0.00 0.00 33.01 30.09 1wki s GLN 12 CO 0.00 -0.84 0.64 -0.65 -0.55 0.00 0.00 175.29 173.88 1wki s GLN 13 N 3.97 3.65 0.39 1.67 1.11 -1.26 -5.10 119.66 124.08 1wki s GLN 13 Ca 0.74 0.12 0.08 0.00 0.01 0.00 0.00 55.36 56.31 1wki s GLN 13 Cb -0.34 -2.55 -0.03 0.00 -1.01 0.00 0.00 33.01 29.07 1wki s GLN 13 CO 0.30 0.10 0.27 -0.98 0.01 0.00 0.00 175.29 174.99 1wki s ARG 14 N -3.82 2.44 0.00 2.91 1.70 -1.26 -4.81 118.95 116.11 1wki s ARG 14 Ca 0.46 -1.59 0.00 0.00 -0.47 0.00 0.00 55.73 54.12 1wki s ARG 14 Cb -0.10 -2.24 0.00 0.00 -0.57 0.00 0.00 34.95 32.03 1wki s ARG 14 CO 0.32 -0.08 0.00 0.41 -1.08 0.00 0.00 175.30 174.87 1wki n GLY 15 N -1.37 2.00 3.80 3.88 0.00 -1.26 -4.99 105.19 107.26 1wki n GLY 15 Ca 0.00 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 1wki n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wki s ARG 16 N 0.00 2.21 0.65 1.61 3.00 -1.26 -5.13 118.95 120.03 1wki s ARG 16 Ca 0.00 -2.17 -0.12 0.00 0.00 0.00 0.00 55.73 53.44 1wki s ARG 16 Cb 0.00 -1.81 -0.02 0.00 0.00 0.00 0.00 34.95 33.12 1wki s ARG 16 CO 0.00 -0.40 1.05 -1.17 0.00 0.00 0.00 175.30 174.77 1wki s LEU 17 N -4.02 3.25 0.16 2.53 1.98 -1.26 -4.98 118.68 116.33 1wki s LEU 17 Ca 0.23 1.59 0.12 0.00 -2.89 0.00 0.00 54.13 53.18 1wki s LEU 17 Cb 0.01 -4.50 -0.09 0.00 0.66 0.00 0.00 46.19 42.27 1wki s LEU 17 CO 0.13 -1.19 1.23 0.07 -1.89 0.00 0.00 176.35 174.70 1wki h LYS 18 N -0.32 0.00 0.00 1.98 2.10 -2.00 -3.41 116.57 114.91 1wki h LYS 18 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1wki h LYS 18 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1wki h LYS 18 CO 0.59 0.66 0.00 0.41 -2.00 0.00 0.00 179.45 179.11 1wki n GLY 19 N 1.33 -1.95 3.37 0.07 0.00 -1.26 -4.71 105.19 102.04 1wki n GLY 19 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 3.13 -0.40 4.61 0.00 -1.26 -4.96 121.76 120.72 1wki s ALA 20 Ca 0.00 -1.43 0.05 0.00 0.00 0.00 0.00 51.96 50.58 1wki s ALA 20 Cb 0.00 -2.22 0.53 0.00 0.00 0.00 0.00 23.12 21.43 1wki s ALA 20 CO 0.00 -0.92 1.65 0.25 0.00 0.00 0.00 175.76 176.74 1wki n THR 21 N 4.90 2.91 -3.05 0.00 -2.24 -1.26 -4.79 114.28 110.76 1wki n THR 21 Ca -0.14 -2.76 -0.33 0.00 -2.27 0.00 0.00 64.05 58.54 1wki n THR 21 Cb 0.48 -0.60 -0.06 0.00 -2.10 0.00 0.00 70.33 68.05 1wki n THR 21 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1wki s LYS 22 N -3.41 4.13 -0.21 -0.78 -0.14 -1.26 -4.99 119.74 113.07 1wki s LYS 22 Ca 0.52 0.83 0.13 0.00 -1.36 0.00 0.00 55.97 56.10 1wki s LYS 22 Cb 0.44 -2.48 0.43 0.00 -1.68 0.00 0.00 37.83 34.55 1wki s LYS 22 CO 0.03 0.17 1.31 0.41 -0.76 0.00 0.00 175.35 176.51 1wki n GLY 23 N -0.17 4.84 0.00 -3.33 0.00 -1.26 -5.07 105.19 100.20 1wki n GLY 23 Ca 0.03 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.10 2.76 1.42 -0.02 0.00 -1.25 -4.79 105.19 102.22 1wki n GLY 24 Ca 0.23 -1.69 0.06 0.00 0.00 0.00 0.00 46.02 44.62 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 4.17 0.00 1.61 8.00 -1.15 -4.96 116.55 124.21 1wki n ASP 25 Ca 0.00 -2.52 0.00 0.00 0.71 0.00 0.00 54.79 52.98 1wki n ASP 25 Cb 0.00 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.53 1wki n ASP 25 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wki n TYR 26 N 0.64 0.00 0.00 1.24 9.36 -1.26 -4.45 117.16 122.68 1wki n TYR 26 Ca 0.20 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.42 1wki n TYR 26 Cb 0.84 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.55 1wki n TYR 26 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1wki n VAL 27 N 0.00 0.00 -0.94 2.97 0.31 -1.26 -4.82 118.33 114.59 1wki n VAL 27 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.45 1wki n VAL 27 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 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 -0.95 -3.07 -0.85 3.52 0.00 -1.26 -4.62 120.51 113.27 1wki n ALA 28 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1wki n ALA 28 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 -2.96 0.00 -3.14 0.00 3.72 -1.26 -4.70 117.46 109.13 1wki n PHE 29 Ca -0.00 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.22 1wki n PHE 29 Cb 0.60 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.15 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 1.88 0.15 1.37 0.00 -1.26 -4.98 107.32 104.47 1wki s GLY 30 Ca 0.00 -1.63 -0.11 0.00 0.00 0.00 0.00 44.72 42.97 1wki s GLY 30 CO 0.00 -1.47 1.58 -0.55 0.00 0.00 0.00 173.10 172.66 1wki h ASP 31 N 0.71 0.92 -1.86 1.64 3.32 -1.10 -3.44 116.42 116.61 1wki h ASP 31 Ca -0.41 -0.34 -0.49 0.00 0.02 0.00 0.00 57.03 55.80 1wki h ASP 31 Cb 1.27 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.54 1wki h ASP 31 CO 0.47 1.05 -0.44 -0.31 -1.72 0.00 0.00 179.24 178.29 1wki s TYR 32 N -4.87 2.95 -0.20 4.55 2.02 -0.60 -1.55 117.35 119.64 1wki s TYR 32 Ca -0.12 -0.28 -0.12 0.00 -0.37 0.00 0.00 57.07 56.18 1wki s TYR 32 Cb 0.12 -1.80 0.06 0.00 -0.40 0.00 0.00 41.96 39.94 1wki s TYR 32 CO 0.84 0.18 0.49 0.20 -1.57 0.00 0.00 175.55 175.69 1wki s GLY 33 N -4.01 -0.40 -0.35 0.71 0.00 0.11 -2.51 107.32 100.87 1wki s GLY 33 Ca 0.41 1.70 -0.20 0.00 0.00 0.00 0.00 44.72 46.63 1wki s GLY 33 CO 0.27 1.74 0.61 -2.27 0.00 0.00 0.00 173.10 173.45 1wki s LEU 34 N 1.22 4.27 -0.01 0.66 1.98 0.30 -1.64 118.68 125.45 1wki s LEU 34 Ca -0.08 0.13 -0.01 0.00 -2.89 0.00 0.00 54.13 51.28 1wki s LEU 34 Cb -0.07 -2.74 -0.04 0.00 0.66 0.00 0.00 46.19 44.00 1wki s LEU 34 CO -0.12 -0.56 0.11 0.54 -1.89 0.00 0.00 176.35 174.43 1wki s VAL 35 N 2.63 4.92 -0.38 1.68 0.11 -0.93 -1.10 120.40 127.33 1wki s VAL 35 Ca 0.23 -0.34 -0.16 0.00 -2.93 0.00 0.00 61.98 58.78 1wki s VAL 35 Cb -0.15 -3.27 0.01 0.00 -1.53 0.00 0.00 36.38 31.44 1wki s VAL 35 CO 0.14 0.35 0.40 0.00 -3.33 0.00 0.00 175.10 172.66 1wki s ALA 36 N -1.23 3.46 -2.04 1.54 0.00 0.26 -2.32 121.76 121.43 1wki s ALA 36 Ca 0.24 -1.37 0.10 0.00 0.00 0.00 0.00 51.96 50.93 1wki s ALA 36 Cb -0.12 -2.95 0.42 0.00 0.00 0.00 0.00 23.12 20.47 1wki s ALA 36 CO 0.15 -1.35 1.29 1.28 0.00 0.00 0.00 175.76 177.13 1wki n LEU 37 N 5.50 0.73 -3.72 0.00 4.77 0.12 0.12 117.00 124.52 1wki n LEU 37 Ca -0.08 -0.35 -0.14 0.00 -0.03 0.00 0.00 56.01 55.41 1wki n LEU 37 Cb 0.48 -0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.41 1wki n LEU 37 CO 0.43 0.17 0.10 -1.61 -1.33 0.00 0.00 177.39 175.16 1wki s GLU 38 N -1.85 0.66 -0.00 3.23 2.02 -1.24 -4.58 118.70 116.93 1wki s GLU 38 Ca 0.17 0.13 -0.30 0.00 0.02 0.00 0.00 54.97 54.99 1wki s GLU 38 Cb 0.08 0.30 -0.05 0.00 0.10 0.00 0.00 34.13 34.56 1wki s GLU 38 CO 0.12 -0.16 1.36 -1.25 0.02 0.00 0.00 175.26 175.36 1wki s PRO 39 N -0.77 4.30 0.28 0.39 0.04 -1.26 -4.41 135.00 133.56 1wki s PRO 39 Ca -0.09 1.91 -0.13 0.00 0.04 0.00 0.00 61.00 62.74 1wki s PRO 39 Cb -0.04 -3.55 0.01 0.00 0.04 0.00 0.00 34.50 30.96 1wki s PRO 39 CO 0.04 -0.54 0.56 0.00 0.04 0.00 0.00 177.00 177.09 1wki s ALA 40 N 2.29 -0.35 -0.35 8.56 0.00 -1.17 -4.97 121.76 125.77 1wki s ALA 40 Ca 0.62 -0.84 -0.06 0.00 0.00 0.00 0.00 51.96 51.68 1wki s ALA 40 Cb -0.30 1.00 0.05 0.00 0.00 0.00 0.00 23.12 23.87 1wki s ALA 40 CO 0.26 -0.90 0.13 -1.58 0.00 0.00 0.00 175.76 173.67 1wki s TRP 41 N -3.69 3.29 -0.32 0.00 0.51 -1.26 -1.44 118.94 116.03 1wki s TRP 41 Ca 0.21 -1.54 -0.26 0.00 -2.12 0.00 0.00 56.10 52.39 1wki s TRP 41 Cb -0.02 -2.45 0.01 0.00 -0.81 0.00 0.00 33.47 30.20 1wki s TRP 41 CO 0.10 -0.77 0.92 0.42 -0.51 0.00 0.00 176.95 177.12 1wki s ILE 42 N 1.38 4.66 0.84 2.03 -1.09 -1.05 -4.71 121.20 123.25 1wki s ILE 42 Ca -0.00 1.42 -0.12 0.00 -2.23 0.00 0.00 60.65 59.71 1wki s ILE 42 Cb -0.20 -4.28 0.10 0.00 -1.58 0.00 0.00 42.46 36.49 1wki s ILE 42 CO 0.02 -0.37 1.18 0.42 -1.23 0.00 0.00 174.94 174.95 1wki s THR 43 N 3.29 2.00 0.21 2.92 -4.23 -1.26 0.04 115.64 118.61 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 -0.13 -2.95 0.16 0.00 1.34 0.00 0.00 72.50 70.92 1wki s THR 43 CO 0.14 0.00 1.85 0.00 -0.54 0.00 0.00 174.62 176.07 1wki h ALA 44 N -1.17 0.97 -1.00 3.99 0.00 -1.95 -2.23 119.26 117.87 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 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1wki h ALA 44 CO 0.64 0.23 0.65 1.96 0.00 0.00 0.00 179.25 182.73 1wki h GLN 45 N 0.88 1.18 -0.54 0.00 1.08 -1.93 -1.62 115.11 114.17 1wki h GLN 45 Ca 0.30 -0.07 0.03 0.00 -1.45 0.00 0.00 58.65 57.46 1wki h GLN 45 Cb 0.04 -0.27 -0.03 0.00 -0.05 0.00 0.00 27.48 27.18 1wki h GLN 45 CO -0.12 0.78 0.36 1.96 -0.95 0.00 0.00 178.83 180.86 1wki h GLN 46 N 1.22 0.59 -0.01 1.46 1.08 -1.77 2.52 115.11 120.21 1wki h GLN 46 Ca 0.41 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.57 1wki h GLN 46 Cb 0.08 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.37 1wki h GLN 46 CO -0.15 0.39 -0.02 0.82 -0.95 0.00 0.00 178.83 178.93 1wki h ILE 47 N 0.61 1.46 0.07 2.54 2.04 -1.25 -2.69 117.51 120.30 1wki h ILE 47 Ca 0.22 -1.37 -0.17 0.00 1.00 0.00 0.00 64.86 64.54 1wki h ILE 47 Cb 0.10 2.37 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 1wki h ILE 47 CO -0.06 0.36 -0.83 -0.08 0.00 0.00 0.00 178.15 177.54 1wki h GLU 48 N -0.54 0.16 -0.47 2.37 4.57 -1.13 -3.03 114.58 116.50 1wki h GLU 48 Ca 0.00 -0.27 0.07 0.00 -1.18 0.00 0.00 59.36 57.98 1wki h GLU 48 Cb 0.59 0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 29.22 1wki h GLU 48 CO 0.00 1.13 0.12 0.00 -1.18 0.00 0.00 179.01 179.09 1wki h ALA 49 N -0.06 0.54 -0.41 2.92 0.00 0.42 0.78 119.26 123.45 1wki h ALA 49 Ca -0.18 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1wki h ALA 49 Cb 1.45 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1wki h ALA 49 CO 0.03 -0.28 0.01 0.00 0.00 0.00 0.00 179.25 179.01 1wki h ALA 50 N 1.34 0.55 -0.80 0.00 0.00 -1.52 -2.89 119.26 115.94 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 17.86 1wki h ALA 50 CO -0.27 0.33 0.52 -0.09 0.00 0.00 0.00 179.25 179.74 1wki h ARG 51 N 0.55 1.02 -0.76 0.00 2.43 -1.28 0.11 114.38 116.44 1wki h ARG 51 Ca 0.12 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.28 1wki h ARG 51 Cb 0.47 -0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 29.74 1wki h ARG 51 CO 0.02 0.67 0.50 0.28 -1.51 0.00 0.00 179.97 179.93 1wki h VAL 52 N 1.05 1.06 0.12 0.20 2.07 -0.72 0.69 116.25 120.72 1wki h VAL 52 Ca 0.31 -0.29 -0.29 0.00 0.82 0.00 0.00 66.70 67.25 1wki h VAL 52 Cb -0.06 0.13 0.02 0.00 -1.52 0.00 0.00 31.29 29.86 1wki h VAL 52 CO -0.09 0.16 -1.22 0.00 0.02 0.00 0.00 177.57 176.44 1wki h ALA 53 N 1.58 0.06 -0.01 1.67 0.00 -1.13 -2.98 119.26 118.45 1wki h ALA 53 Ca 0.32 -0.79 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1wki h ALA 53 Cb 0.18 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1wki h ALA 53 CO -0.11 0.77 -0.02 0.52 0.00 0.00 0.00 179.25 180.41 1wki h MET 54 N 0.22 0.03 -0.94 0.00 2.07 -0.15 -2.21 114.93 113.95 1wki h MET 54 Ca -0.17 -0.02 0.07 0.00 -2.07 0.00 0.00 59.70 57.51 1wki h MET 54 Cb 1.90 0.00 -0.07 0.00 -1.87 0.00 0.00 31.60 31.56 1wki h MET 54 CO 0.22 0.58 0.60 0.28 1.07 0.00 0.00 176.91 179.66 1wki h VAL 55 N -0.51 1.04 0.00 -2.22 2.07 0.25 -1.03 116.25 115.85 1wki h VAL 55 Ca 0.00 -0.37 -0.11 0.00 0.82 0.00 0.00 66.70 67.05 1wki h VAL 55 Cb 0.58 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1wki h VAL 55 CO 0.00 0.19 -0.52 0.03 0.02 0.00 0.00 177.57 177.30 1wki h ARG 56 N 1.07 0.00 0.34 1.57 3.08 -1.56 -3.23 114.38 115.65 1wki h ARG 56 Ca 0.42 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.45 1wki h ARG 56 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 1wki h ARG 56 CO -0.19 0.52 -0.19 1.25 -1.07 0.00 0.00 179.97 180.30 1wki h HIS 57 N 0.00 -0.50 -0.54 3.04 2.76 -0.53 -3.38 115.15 116.00 1wki h HIS 57 Ca -0.01 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.05 1wki h HIS 57 Cb 0.95 0.17 -0.01 0.00 1.55 0.00 0.00 27.41 30.08 1wki h HIS 57 CO 0.00 -0.30 0.45 1.19 -1.30 0.00 0.00 177.93 177.97 1wki n PHE 58 N -5.32 1.13 0.18 5.26 3.72 -1.09 -4.75 117.46 116.60 1wki n PHE 58 Ca -0.10 0.01 0.09 0.00 -0.05 0.00 0.00 57.45 57.41 1wki n PHE 58 Cb 0.23 -2.50 0.62 0.00 -0.94 0.00 0.00 39.48 36.89 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 13.84 0.08 -1.03 -1.08 3.08 -1.87 -1.06 114.38 126.34 1wki h ARG 59 Ca -0.04 -0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.49 1wki h ARG 59 Cb 1.06 -0.02 -0.27 0.00 0.08 0.00 0.00 29.97 30.82 1wki h ARG 59 CO 1.07 0.05 0.66 0.54 -1.07 0.00 0.00 179.97 181.22 1wki n ARG 60 N -4.51 2.25 -0.58 0.04 1.74 -1.26 -5.03 116.66 109.31 1wki n ARG 60 Ca 0.00 -2.79 0.07 0.00 -0.77 0.00 0.00 57.85 54.36 1wki n ARG 60 Cb 0.17 -2.09 -0.04 0.00 -1.02 0.00 0.00 32.46 29.48 1wki n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wki n GLY 61 N -0.89 -2.72 0.00 -0.13 0.00 -0.40 -5.00 105.19 96.04 1wki n GLY 61 Ca 0.55 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.04 2.21 3.21 -0.02 0.00 -1.26 -4.71 105.19 101.58 1wki n GLY 62 Ca -0.03 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 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 1.21 0.04 1.61 -2.85 -1.26 -4.88 119.74 111.61 1wki s LYS 63 Ca 0.00 -0.87 0.09 0.00 -1.00 0.00 0.00 55.97 54.18 1wki s LYS 63 Cb 0.00 -1.29 -0.03 0.00 -2.06 0.00 0.00 37.83 34.45 1wki s LYS 63 CO 0.00 0.33 -0.24 0.42 0.10 0.00 0.00 175.35 175.96 1wki s ILE 64 N -0.82 2.37 -0.32 3.79 1.01 -1.26 -3.14 121.20 122.84 1wki s ILE 64 Ca 0.05 -1.32 -0.04 0.00 0.00 0.00 0.00 60.65 59.34 1wki s ILE 64 Cb -0.08 -1.95 0.04 0.00 0.01 0.00 0.00 42.46 40.48 1wki s ILE 64 CO 0.02 0.35 0.05 -0.36 0.00 0.00 0.00 174.94 174.99 1wki s PHE 65 N -0.85 3.25 -0.26 3.97 0.40 -0.28 -4.98 117.98 119.25 1wki s PHE 65 Ca 0.13 -1.65 -0.15 0.00 -0.60 0.00 0.00 56.93 54.65 1wki s PHE 65 Cb -0.10 -2.18 -0.04 0.00 0.51 0.00 0.00 43.02 41.21 1wki s PHE 65 CO 0.03 -0.77 0.38 0.42 0.70 0.00 0.00 175.22 175.99 1wki s ILE 66 N 1.32 5.18 -0.37 0.64 -1.09 -1.26 -2.76 121.20 122.86 1wki s ILE 66 Ca -0.04 0.61 0.06 0.00 -2.23 0.00 0.00 60.65 59.06 1wki s ILE 66 Cb -0.20 -3.71 0.57 0.00 -1.58 0.00 0.00 42.46 37.54 1wki s ILE 66 CO 0.01 0.17 1.65 -1.14 -1.23 0.00 0.00 174.94 174.41 1wki n ARG 67 N 5.16 2.06 -4.45 2.79 0.63 -0.96 -4.95 116.66 116.94 1wki n ARG 67 Ca -0.08 -3.16 -0.21 0.00 -0.92 0.00 0.00 57.85 53.48 1wki n ARG 67 Cb 0.51 -1.99 -0.16 0.00 0.45 0.00 0.00 32.46 31.28 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 -3.37 0.87 -0.01 5.15 -4.36 -1.26 -4.96 121.20 113.26 1wki s ILE 68 Ca 0.50 -0.41 0.02 0.00 -0.26 0.00 0.00 60.65 60.51 1wki s ILE 68 Cb 0.44 -0.77 -0.00 0.00 1.25 0.00 0.00 42.46 43.37 1wki s ILE 68 CO 0.04 0.27 -0.08 0.12 0.24 0.00 0.00 174.94 175.53 1wki s PHE 69 N 0.19 0.75 -0.39 1.37 5.36 -1.26 -5.04 117.98 118.96 1wki s PHE 69 Ca -0.03 -0.15 -0.28 0.00 -0.96 0.00 0.00 56.93 55.50 1wki s PHE 69 Cb -0.09 -0.50 -0.01 0.00 -0.34 0.00 0.00 43.02 42.09 1wki s PHE 69 CO 0.01 -0.03 1.64 -1.25 -1.46 0.00 0.00 175.22 174.13 1wki s PRO 70 N -0.12 3.36 0.00 10.12 0.04 -1.26 -4.33 135.00 142.81 1wki s PRO 70 Ca 0.02 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1wki s PRO 70 Cb -0.04 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 30.35 1wki s PRO 70 CO -0.00 -1.83 0.00 -0.40 0.04 0.00 0.00 177.00 174.81 1wki n ASP 71 N 9.91 3.23 -4.70 6.66 5.68 0.28 -4.65 116.55 132.97 1wki n ASP 71 Ca 0.20 0.00 -0.42 0.00 -0.50 0.00 0.00 54.79 54.07 1wki n ASP 71 Cb 0.48 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.43 1wki n ASP 71 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1wki s LYS 72 N -1.96 4.38 0.76 0.11 2.20 -0.56 -4.79 119.74 119.88 1wki s LYS 72 Ca 0.00 1.71 -0.14 0.00 -0.36 0.00 0.00 55.97 57.18 1wki s LYS 72 Cb 0.00 -3.49 0.06 0.00 -1.51 0.00 0.00 37.83 32.89 1wki s LYS 72 CO 0.00 -0.38 1.20 -1.25 -0.36 0.00 0.00 175.35 174.56 1wki s PRO 73 N 1.83 1.94 -0.47 4.03 0.04 -1.26 0.08 135.00 141.19 1wki s PRO 73 Ca 0.57 1.73 0.03 0.00 0.04 0.00 0.00 61.00 63.37 1wki s PRO 73 Cb -0.26 -1.81 0.14 0.00 0.04 0.00 0.00 34.50 32.60 1wki s PRO 73 CO 0.25 -1.98 0.27 -0.47 0.04 0.00 0.00 177.00 175.10 1wki s TYR 74 N -2.09 2.30 -0.06 0.56 6.14 -0.81 -4.71 117.35 118.68 1wki s TYR 74 Ca 0.73 -2.64 0.06 0.00 0.64 0.00 0.00 57.07 55.86 1wki s TYR 74 Cb -0.28 -2.09 -0.01 0.00 0.42 0.00 0.00 41.96 39.99 1wki s TYR 74 CO 0.48 -0.76 -0.24 0.95 0.64 0.00 0.00 175.55 176.62 1wki s THR 75 N 0.08 2.15 -0.06 4.34 -4.23 -1.26 -0.40 115.64 116.25 1wki s THR 75 Ca 0.19 -1.04 -0.01 0.00 -1.18 0.00 0.00 61.69 59.65 1wki s THR 75 Cb -0.22 -1.78 0.03 0.00 1.34 0.00 0.00 72.50 71.87 1wki s THR 75 CO -0.02 0.57 0.01 -0.54 -0.54 0.00 0.00 174.62 174.10 1wki s LYS 76 N -0.21 0.44 0.09 3.99 1.02 -1.26 -5.04 119.74 118.78 1wki s LYS 76 Ca -0.02 0.16 0.10 0.00 0.02 0.00 0.00 55.97 56.23 1wki s LYS 76 Cb -0.13 -0.83 -0.03 0.00 -0.52 0.00 0.00 37.83 36.31 1wki s LYS 76 CO 0.03 -0.29 -0.26 0.15 -0.92 0.00 0.00 175.35 174.06 1wki s LYS 77 N 1.91 1.56 0.00 1.68 3.01 -1.26 -4.97 119.74 121.67 1wki s LYS 77 Ca 0.03 -1.24 -0.30 0.00 -1.01 0.00 0.00 55.97 53.45 1wki s LYS 77 Cb -0.12 -1.91 -0.05 0.00 -1.01 0.00 0.00 37.83 34.73 1wki s LYS 77 CO -0.04 0.47 1.36 -1.25 0.51 0.00 0.00 175.35 176.40 1wki s PRO 78 N -1.70 4.30 0.09 -1.68 0.04 -1.26 -4.97 135.00 129.82 1wki s PRO 78 Ca 0.13 1.92 -0.31 0.00 0.04 0.00 0.00 61.00 62.78 1wki s PRO 78 Cb -0.10 -3.54 -0.08 0.00 0.04 0.00 0.00 34.50 30.82 1wki s PRO 78 CO 0.04 -0.53 1.58 -0.51 0.04 0.00 0.00 177.00 177.62 1wki s LEU 79 N 2.23 4.36 0.00 -3.56 1.02 -1.26 -4.10 118.68 117.37 1wki s LEU 79 Ca 0.62 2.46 0.00 0.00 0.02 0.00 0.00 54.13 57.23 1wki s LEU 79 Cb -0.31 -3.57 0.00 0.00 0.02 0.00 0.00 46.19 42.33 1wki s LEU 79 CO 0.26 -0.83 0.00 -0.62 0.02 0.00 0.00 176.35 175.18 1wki n GLU 80 N 5.06 0.00 -2.00 1.70 1.02 -1.26 -4.82 120.64 120.34 1wki n GLU 80 Ca 0.15 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.92 1wki n GLU 80 Cb 0.41 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.85 1wki n GLU 80 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1wki s VAL 81 N 0.00 2.58 0.08 2.62 1.01 -1.26 -5.04 120.40 120.38 1wki s VAL 81 Ca 0.00 0.38 0.08 0.00 0.00 0.00 0.00 61.98 62.44 1wki s VAL 81 Cb 0.00 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 1wki s VAL 81 CO 0.00 -0.05 -0.22 0.00 0.00 0.00 0.00 175.10 174.83 1wki s ARG 82 N -3.15 1.29 0.27 2.72 1.70 -1.26 -4.41 118.95 116.10 1wki s ARG 82 Ca 0.74 -1.08 -0.20 0.00 -0.47 0.00 0.00 55.73 54.72 1wki s ARG 82 Cb -0.32 -1.51 0.06 0.00 -0.57 0.00 0.00 34.95 32.61 1wki s ARG 82 CO 0.36 0.37 0.91 1.41 -1.08 0.00 0.00 175.30 177.27 1wki s MET 83 N -1.59 1.70 0.00 3.89 1.75 -1.26 -5.12 119.30 118.68 1wki s MET 83 Ca 0.08 -1.07 0.00 0.00 -1.25 0.00 0.00 55.69 53.44 1wki s MET 83 Cb -0.09 0.49 0.00 0.00 2.84 0.00 0.00 34.83 38.07 1wki s MET 83 CO 0.03 -0.80 0.00 0.41 -0.65 0.00 0.00 175.02 174.02 1wki n GLY 84 N -0.59 1.52 1.53 2.11 0.00 -1.26 -4.72 105.19 103.77 1wki n GLY 84 Ca -0.06 -2.10 0.06 0.00 0.00 0.00 0.00 46.02 43.93 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 0.44 3.82 0.00 1.61 4.76 -1.26 -4.95 118.16 122.58 1wki n LYS 85 Ca 0.00 -2.47 0.00 0.00 -2.87 0.00 0.00 58.31 52.97 1wki n LYS 85 Cb 0.00 -2.00 0.00 0.00 -1.84 0.00 0.00 35.03 31.19 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 0.69 3.03 0.10 0.72 0.00 -1.26 -5.05 105.19 103.42 1wki n GLY 86 Ca 0.22 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 0.68 0.00 1.61 4.01 -1.26 -4.95 118.16 118.25 1wki n LYS 87 Ca 0.00 0.04 0.00 0.00 -0.51 0.00 0.00 58.31 57.84 1wki n LYS 87 Cb 0.00 -1.54 0.00 0.00 -0.51 0.00 0.00 35.03 32.98 1wki n LYS 87 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1wki n GLY 88 N 1.83 3.97 3.21 0.72 0.00 -1.26 -5.07 105.19 108.59 1wki n GLY 88 Ca -0.34 -0.38 -0.19 0.00 0.00 0.00 0.00 46.02 45.11 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 0.00 1.87 0.20 1.61 3.84 -1.26 -5.13 114.94 116.06 1wki s ASN 89 Ca 0.00 -0.71 -0.30 0.00 0.21 0.00 0.00 52.86 52.07 1wki s ASN 89 Cb 0.00 -0.06 -0.08 0.00 -0.55 0.00 0.00 41.25 40.56 1wki s ASN 89 CO 0.00 -0.10 0.94 0.54 -2.79 0.00 0.00 177.10 175.69 1wki s VAL 90 N -1.64 4.22 -0.50 -5.21 0.11 -1.26 -4.71 120.40 111.40 1wki s VAL 90 Ca 0.03 2.07 -0.03 0.00 -2.93 0.00 0.00 61.98 61.13 1wki s VAL 90 Cb -0.08 -4.32 0.15 0.00 -1.53 0.00 0.00 36.38 30.60 1wki s VAL 90 CO 0.03 0.44 2.49 -0.62 -3.33 0.00 0.00 175.10 174.11 1wki n GLU 91 N 1.91 2.36 -0.60 1.54 -0.58 0.46 -4.99 120.64 120.74 1wki n GLU 91 Ca -0.01 -2.43 0.08 0.00 -0.42 0.00 0.00 57.16 54.39 1wki n GLU 91 Cb 0.48 -2.08 -0.02 0.00 -0.57 0.00 0.00 31.44 29.25 1wki n GLU 91 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wki n GLY 92 N 0.47 -1.61 3.98 0.62 0.00 -1.26 -4.76 105.19 102.63 1wki n GLY 92 Ca 0.47 -1.38 -0.20 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.62 3.23 0.29 1.61 1.51 -1.26 -1.93 117.35 119.17 1wki s TYR 93 Ca 0.00 -0.11 0.03 0.00 -1.01 0.00 0.00 57.07 55.98 1wki s TYR 93 Cb 0.00 -1.89 -0.04 0.00 -0.11 0.00 0.00 41.96 39.93 1wki s TYR 93 CO 0.00 0.10 0.18 0.14 -1.11 0.00 0.00 175.55 174.86 1wki s VAL 94 N -2.15 0.17 -0.30 0.71 -7.23 0.11 -3.40 120.40 108.31 1wki s VAL 94 Ca 0.42 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.61 1wki s VAL 94 Cb -0.09 -2.50 0.09 0.00 0.56 0.00 0.00 36.38 34.43 1wki s VAL 94 CO 0.31 0.00 0.03 0.00 -0.31 0.00 0.00 175.10 175.13 1wki s ALA 95 N -3.69 2.32 0.18 1.32 0.00 0.11 -0.55 121.76 121.43 1wki s ALA 95 Ca 0.38 -2.00 -0.33 0.00 0.00 0.00 0.00 51.96 50.01 1wki s ALA 95 Cb 0.05 -1.73 -0.13 0.00 0.00 0.00 0.00 23.12 21.31 1wki s ALA 95 CO 0.19 -1.54 1.69 0.28 0.00 0.00 0.00 175.76 176.37 1wki n VAL 96 N 4.51 0.05 -4.38 0.00 0.31 -1.26 -2.54 118.33 115.03 1wki n VAL 96 Ca -0.02 -0.01 -0.19 0.00 -0.01 0.00 0.00 64.34 64.10 1wki n VAL 96 Cb 0.42 -1.83 -0.10 0.00 -0.91 0.00 0.00 33.84 31.42 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 1.30 1.65 0.15 2.52 1.01 -0.52 -4.99 120.40 121.52 1wki s VAL 97 Ca 0.78 -2.17 0.05 0.00 0.00 0.00 0.00 61.98 60.64 1wki s VAL 97 Cb -0.57 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 1wki s VAL 97 CO 0.35 -0.47 -0.11 -0.54 0.00 0.00 0.00 175.10 174.34 1wki s LYS 98 N -3.69 1.10 -0.15 2.72 1.02 -1.26 -3.06 119.74 116.41 1wki s LYS 98 Ca 0.26 -1.46 -0.36 0.00 0.02 0.00 0.00 55.97 54.43 1wki s LYS 98 Cb 0.01 -0.72 -0.13 0.00 -0.52 0.00 0.00 37.83 36.48 1wki s LYS 98 CO 0.09 0.10 1.86 -2.30 -0.92 0.00 0.00 175.35 174.17 1wki n PRO 99 N -0.18 1.89 -0.21 -1.68 -0.02 -1.23 -1.95 135.00 131.62 1wki n PRO 99 Ca -0.10 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1wki n PRO 99 Cb 0.60 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 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 4.41 1.34 3.47 -1.23 0.00 0.32 -4.80 105.19 108.69 1wki n GLY 100 Ca 0.24 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.84 3.70 -0.64 1.61 1.81 -0.82 -2.94 118.95 120.83 1wki s ARG 101 Ca 0.00 -0.46 -0.26 0.00 -1.72 0.00 0.00 55.73 53.30 1wki s ARG 101 Cb 0.00 -3.35 0.04 0.00 -0.45 0.00 0.00 34.95 31.19 1wki s ARG 101 CO 0.00 -0.17 1.11 0.08 -0.68 0.00 0.00 175.30 175.64 1wki s VAL 102 N 1.58 4.08 -0.08 3.52 1.01 -1.26 -0.58 120.40 128.68 1wki s VAL 102 Ca 0.06 0.34 0.11 0.00 0.00 0.00 0.00 61.98 62.50 1wki s VAL 102 Cb -0.15 -4.73 -0.24 0.00 0.00 0.00 0.00 36.38 31.26 1wki s VAL 102 CO 0.04 -1.47 0.53 1.15 0.00 0.00 0.00 175.10 175.36 1wki n MET 103 N 8.35 0.65 -4.36 2.72 0.00 -0.26 -4.75 117.12 119.48 1wki n MET 103 Ca 0.03 0.25 -0.22 0.00 0.00 0.00 0.00 57.70 57.76 1wki n MET 103 Cb 0.48 -1.74 -0.11 0.00 0.00 0.00 0.00 33.22 31.85 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 1.89 -0.30 3.17 0.40 -1.18 -2.26 117.98 117.12 1wki s PHE 104 Ca -0.08 -0.47 -0.08 0.00 -0.60 0.00 0.00 56.93 55.70 1wki s PHE 104 Cb 0.08 -0.91 0.17 0.00 0.51 0.00 0.00 43.02 42.86 1wki s PHE 104 CO 0.82 0.40 0.77 -1.83 0.70 0.00 0.00 175.22 176.08 1wki s GLU 105 N -3.10 0.45 0.42 0.44 1.03 -1.11 0.11 118.70 116.94 1wki s GLU 105 Ca 0.20 0.97 0.03 0.00 0.03 0.00 0.00 54.97 56.20 1wki s GLU 105 Cb -0.04 0.56 0.00 0.00 -0.80 0.00 0.00 34.13 33.85 1wki s GLU 105 CO 0.08 -0.32 0.61 0.14 -1.33 0.00 0.00 175.26 174.43 1wki s VAL 106 N 2.80 3.75 -0.20 1.83 -7.23 -1.04 -1.12 120.40 119.18 1wki s VAL 106 Ca 0.05 -0.74 -0.26 0.00 -1.81 0.00 0.00 61.98 59.22 1wki s VAL 106 Cb -0.12 -3.34 0.07 0.00 0.56 0.00 0.00 36.38 33.55 1wki s VAL 106 CO -0.18 -0.19 0.69 0.00 -0.31 0.00 0.00 175.10 175.10 1wki s ALA 107 N -2.43 -1.73 0.00 1.32 0.00 -1.19 -0.55 121.76 117.18 1wki s ALA 107 Ca 0.49 1.76 0.00 0.00 0.00 0.00 0.00 51.96 54.21 1wki s ALA 107 Cb -0.10 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.22 1wki s ALA 107 CO 0.35 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.18 1wki n GLY 108 N 2.16 2.87 3.91 0.00 0.00 -1.26 -4.09 105.19 108.78 1wki n GLY 108 Ca -0.16 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.09 2.99 1.10 1.61 -7.23 -1.26 -5.04 120.40 110.48 1wki s VAL 109 Ca 0.00 0.06 -0.18 0.00 -1.81 0.00 0.00 61.98 60.05 1wki s VAL 109 Cb 0.00 -3.27 0.25 0.00 0.56 0.00 0.00 36.38 33.92 1wki s VAL 109 CO 0.00 -0.32 1.20 0.42 -0.31 0.00 0.00 175.10 176.09 1wki s THR 110 N -3.25 1.76 0.06 5.32 -4.23 -1.26 -4.79 115.64 109.26 1wki s THR 110 Ca 0.58 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.93 1wki s THR 110 Cb -0.11 -2.70 -0.17 0.00 1.34 0.00 0.00 72.50 70.87 1wki s THR 110 CO 0.47 0.00 1.26 -0.08 -0.54 0.00 0.00 174.62 175.74 1wki h GLU 111 N -2.20 0.62 -0.41 3.99 4.81 -1.98 0.54 114.58 119.95 1wki h GLU 111 Ca -0.45 -0.49 0.00 0.00 -0.13 0.00 0.00 59.36 58.30 1wki h GLU 111 Cb 1.27 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.73 1wki h GLU 111 CO 0.36 1.11 0.27 0.93 -0.73 0.00 0.00 179.01 180.95 1wki h GLU 112 N 0.27 0.53 -0.04 1.92 3.07 -1.98 0.65 114.58 119.00 1wki h GLU 112 Ca -0.04 -0.03 -0.24 0.00 -0.50 0.00 0.00 59.36 58.55 1wki h GLU 112 Cb 1.21 -0.12 0.01 0.00 -0.84 0.00 0.00 28.75 29.01 1wki h GLU 112 CO 0.12 0.35 -0.94 1.96 -1.40 0.00 0.00 179.01 179.10 1wki h GLN 113 N 0.55 0.62 -0.11 2.33 4.20 -1.94 -2.09 115.11 118.67 1wki h GLN 113 Ca 0.15 -0.62 -0.02 0.00 0.06 0.00 0.00 58.65 58.21 1wki h GLN 113 Cb -0.06 0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 1wki h GLN 113 CO -0.03 1.23 -0.02 0.00 -0.67 0.00 0.00 178.83 179.33 1wki h ALA 114 N 0.56 0.15 -0.24 3.87 0.00 -0.68 0.84 119.26 123.77 1wki h ALA 114 Ca -0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1wki h ALA 114 Cb 1.58 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1wki h ALA 114 CO 0.18 -0.11 0.07 0.52 0.00 0.00 0.00 179.25 179.90 1wki h MET 115 N -0.10 0.38 -0.11 0.00 2.86 0.22 -0.45 114.93 117.72 1wki h MET 115 Ca 0.03 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1wki h MET 115 Cb 0.43 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 1wki h MET 115 CO 0.01 0.47 0.04 1.49 1.06 0.00 0.00 176.91 179.98 1wki h GLU 116 N 0.21 0.17 -0.22 1.72 4.81 -1.40 -1.14 114.58 118.74 1wki h GLU 116 Ca 0.08 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1wki h GLU 116 Cb 0.26 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 1wki h GLU 116 CO -0.00 0.28 0.06 0.00 -0.73 0.00 0.00 179.01 178.62 1wki h ALA 117 N 0.88 0.23 -0.09 2.92 0.00 -0.78 0.81 119.26 123.23 1wki h ALA 117 Ca 0.04 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1wki h ALA 117 Cb 0.17 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1wki h ALA 117 CO -0.00 -0.36 0.05 -0.07 0.00 0.00 0.00 179.25 178.86 1wki h LEU 118 N 0.15 0.11 -0.17 0.00 4.07 -0.98 -1.75 115.31 116.74 1wki h LEU 118 Ca 0.10 -0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.85 1wki h LEU 118 Cb 0.08 -0.03 0.01 0.00 1.08 0.00 0.00 40.66 41.80 1wki h LEU 118 CO -0.11 0.09 -0.69 0.03 -1.08 0.00 0.00 178.44 176.68 1wki h ARG 119 N 0.13 0.77 -0.74 1.13 3.08 0.00 -3.09 114.38 115.67 1wki h ARG 119 Ca 0.03 -0.60 0.06 0.00 0.07 0.00 0.00 59.98 59.54 1wki h ARG 119 Cb 0.01 0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.13 1wki h ARG 119 CO -0.01 1.22 0.48 0.82 -1.07 0.00 0.00 179.97 181.42 1wki h ILE 120 N 0.50 1.02 -0.36 2.04 2.04 0.01 0.82 117.51 123.58 1wki h ILE 120 Ca -0.04 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.52 1wki h ILE 120 Cb 1.32 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1wki h ILE 120 CO 0.15 0.14 0.07 0.00 0.00 0.00 0.00 178.15 178.51 1wki h ALA 121 N 1.60 0.47 0.00 1.87 0.00 -1.42 -2.79 119.26 118.99 1wki h ALA 121 Ca 0.32 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1wki h ALA 121 Cb 0.26 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1wki h ALA 121 CO -0.11 0.16 -0.13 0.78 0.00 0.00 0.00 179.25 179.96 1wki h GLY 122 N 0.43 0.00 0.84 0.00 0.00 -1.27 -3.18 103.07 99.89 1wki h GLY 122 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.48 1wki h GLY 122 CO 0.00 0.00 0.52 0.84 0.00 0.00 0.00 176.54 177.90 1wki h HIS 123 N 0.00 0.96 -0.03 5.60 6.17 -0.58 -0.62 115.15 126.64 1wki h HIS 123 Ca -0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.10 1wki h HIS 123 Cb 0.79 -0.32 0.00 0.00 2.52 0.00 0.00 27.41 30.40 1wki h HIS 123 CO 0.00 0.54 0.00 0.36 0.71 0.00 0.00 177.93 179.54 1wki n LYS 124 N -4.60 1.50 -2.80 5.26 0.00 -1.20 -4.89 118.16 111.43 1wki n LYS 124 Ca 0.10 -0.74 -0.31 0.00 -0.00 0.00 0.00 58.31 57.36 1wki n LYS 124 Cb 0.10 -1.46 -0.04 0.00 -0.00 0.00 0.00 35.03 33.63 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 -1.91 3.83 -0.09 -5.58 1.43 -0.24 -4.97 118.68 111.14 1wki s LEU 125 Ca 0.39 1.28 0.05 0.00 -1.03 0.00 0.00 54.13 54.81 1wki s LEU 125 Cb 0.20 -4.16 0.28 0.00 0.03 0.00 0.00 46.19 42.55 1wki s LEU 125 CO 0.33 -0.41 0.98 -0.81 0.23 0.00 0.00 176.35 176.66 1wki n PRO 126 N -1.18 2.28 -3.91 1.29 -0.04 -1.26 -4.88 135.00 127.30 1wki n PRO 126 Ca 0.04 -1.10 -0.09 0.00 -0.04 0.00 0.00 63.50 62.31 1wki n PRO 126 Cb 0.54 -1.73 -0.05 0.00 -0.04 0.00 0.00 33.50 32.21 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 -1.57 0.03 0.36 0.52 -5.25 -1.26 -4.95 121.20 109.08 1wki s ILE 127 Ca 0.19 -1.21 -0.25 0.00 -0.99 0.00 0.00 60.65 58.39 1wki s ILE 127 Cb 0.15 -1.91 -0.09 0.00 2.95 0.00 0.00 42.46 43.55 1wki s ILE 127 CO 0.05 -0.12 1.03 -0.54 -1.79 0.00 0.00 174.94 173.57 1wki s LYS 128 N -3.96 4.34 -0.02 0.37 -0.14 -1.26 -4.91 119.74 114.15 1wki s LYS 128 Ca 0.17 1.49 -0.16 0.00 -1.36 0.00 0.00 55.97 56.11 1wki s LYS 128 Cb 0.00 -2.69 0.03 0.00 -1.68 0.00 0.00 37.83 33.49 1wki s LYS 128 CO 0.03 0.02 0.35 0.95 -0.76 0.00 0.00 175.35 175.94 1wki s THR 129 N -1.59 0.05 0.10 2.17 -4.23 -1.26 0.10 115.64 110.99 1wki s THR 129 Ca 0.54 -0.40 0.02 0.00 -1.18 0.00 0.00 61.69 60.66 1wki s THR 129 Cb -0.22 -0.65 -0.04 0.00 1.34 0.00 0.00 72.50 72.92 1wki s THR 129 CO 0.28 -0.22 -0.06 -1.59 -0.54 0.00 0.00 174.62 172.49 1wki s LYS 130 N -1.25 0.86 0.13 3.99 -2.85 -0.98 -4.96 119.74 114.68 1wki s LYS 130 Ca -0.13 -1.35 -0.21 0.00 -1.00 0.00 0.00 55.97 53.28 1wki s LYS 130 Cb -0.05 -0.20 -0.07 0.00 -2.06 0.00 0.00 37.83 35.45 1wki s LYS 130 CO 0.05 -0.03 0.66 0.42 0.10 0.00 0.00 175.35 176.55 1wki s ILE 131 N -3.64 4.60 -0.17 3.79 -1.09 -1.26 -2.20 121.20 121.23 1wki s ILE 131 Ca 0.13 1.36 -0.09 0.00 -2.23 0.00 0.00 60.65 59.82 1wki s ILE 131 Cb 0.05 -3.96 0.07 0.00 -1.58 0.00 0.00 42.46 37.04 1wki s ILE 131 CO -0.04 0.46 0.40 0.68 -1.23 0.00 0.00 174.94 175.22 1wki s VAL 132 N -1.22 -0.17 -0.29 2.92 -7.23 -0.65 -4.98 120.40 108.78 1wki s VAL 132 Ca 0.34 0.12 -0.18 0.00 -1.81 0.00 0.00 61.98 60.45 1wki s VAL 132 Cb -0.20 -0.61 -0.02 0.00 0.56 0.00 0.00 36.38 36.11 1wki s VAL 132 CO 0.22 0.05 0.52 -0.60 -0.31 0.00 0.00 175.10 174.98 1wki s ARG 133 N 1.69 3.94 0.52 4.82 3.52 -1.25 0.06 118.95 132.25 1wki s ARG 133 Ca -0.08 0.19 0.00 0.00 -0.13 0.00 0.00 55.73 55.72 1wki s ARG 133 Cb -0.09 -3.70 0.00 0.00 -1.56 0.00 0.00 34.95 29.60 1wki s ARG 133 CO -0.13 -0.44 0.00 0.54 -0.81 0.00 0.00 175.30 174.46 1wki n ARG 134 N 5.63 0.00 -1.75 5.12 1.74 -0.60 0.64 116.66 127.44 1wki n ARG 134 Ca -0.04 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.67 1wki n ARG 134 Cb 0.49 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.99 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 4.12 7.36 -4.07 0.55 2.03 -1.26 -4.45 116.55 120.83 1wki n ASP 135 Ca 0.00 -3.81 -0.35 0.00 0.52 0.00 0.00 54.79 51.15 1wki n ASP 135 Cb 0.00 -0.98 -0.11 0.00 -0.72 0.00 0.00 41.12 39.31 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 -3.95 3.35 -0.15 -1.67 0.00 0.21 -5.05 121.76 114.50 1wki s ALA 136 Ca 0.56 -3.00 -0.00 0.00 0.00 0.00 0.00 51.96 49.52 1wki s ALA 136 Cb 0.46 -2.44 0.03 0.00 0.00 0.00 0.00 23.12 21.18 1wki s ALA 136 CO -0.25 -1.97 -0.08 0.71 0.00 0.00 0.00 175.76 174.17 1wki s TYR 137 N 0.31 1.80 -0.72 0.00 1.51 -1.26 -3.94 117.35 115.05 1wki s TYR 137 Ca 0.14 -1.06 -0.16 0.00 -1.01 0.00 0.00 57.07 54.98 1wki s TYR 137 Cb -0.22 -1.38 0.17 0.00 -0.11 0.00 0.00 41.96 40.42 1wki s TYR 137 CO -0.03 -0.61 0.73 0.34 -1.11 0.00 0.00 175.55 174.86 1wki s ASP 138 N 1.60 6.49 -0.46 2.29 2.15 -1.26 -5.01 116.67 122.48 1wki s ASP 138 Ca 0.03 -2.16 -0.27 0.00 0.43 0.00 0.00 52.55 50.58 1wki s ASP 138 Cb -0.14 -2.25 -0.04 0.00 -0.30 0.00 0.00 42.92 40.19 1wki s ASP 138 CO -0.08 -0.80 2.09 -1.61 -0.17 0.00 0.00 175.17 174.59 1wki s GLU 139 N 1.27 2.66 -0.64 4.34 2.02 -1.26 -4.89 118.70 122.21 1wki s GLU 139 Ca 0.14 1.25 -0.26 0.00 0.02 0.00 0.00 54.97 56.13 1wki s GLU 139 Cb -0.17 -4.41 -0.03 0.00 0.10 0.00 0.00 34.13 29.61 1wki s GLU 139 CO -0.03 -2.65 1.93 0.00 0.02 0.00 0.00 175.26 174.53 1wki s ALA 140 N 9.60 2.04 0.00 5.21 0.00 -1.26 -5.36 121.76 131.98 1wki s ALA 140 Ca 0.85 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1wki s ALA 140 Cb -0.19 -4.34 0.00 0.00 0.00 0.00 0.00 23.12 18.59 1wki s ALA 140 CO 0.27 -4.09 0.00 1.04 0.00 0.00 0.00 175.76 172.98