#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 2.56 -4.86 4.03 4.77 -1.26 -5.05 117.00 117.19 1wki n LEU 2 Ca 0.00 -0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 1wki n LEU 2 Cb 0.00 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.03 1wki n LEU 2 CO 0.00 0.43 -0.20 0.00 -1.33 0.00 0.00 177.39 176.29 1wki s MET 3 N -2.01 3.25 0.42 3.23 0.23 -1.26 -4.85 119.30 118.31 1wki s MET 3 Ca -0.00 -0.47 -0.24 0.00 -1.03 0.00 0.00 55.69 53.95 1wki s MET 3 Cb 0.00 -2.95 -0.08 0.00 -1.53 0.00 0.00 34.83 30.26 1wki s MET 3 CO 0.01 0.63 1.11 -1.25 -2.03 0.00 0.00 175.02 173.48 1wki s PRO 4 N -2.15 4.02 -0.04 3.16 0.04 -1.26 -5.06 135.00 133.72 1wki s PRO 4 Ca 0.29 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1wki s PRO 4 Cb -0.12 -2.53 0.03 0.00 0.04 0.00 0.00 34.50 31.91 1wki s PRO 4 CO 0.21 -0.30 -0.01 0.50 0.04 0.00 0.00 177.00 177.44 1wki s ARG 5 N -2.52 0.48 0.17 4.56 6.06 -1.26 -5.04 118.95 121.40 1wki s ARG 5 Ca 0.59 0.03 0.00 0.00 -2.50 0.00 0.00 55.73 53.85 1wki s ARG 5 Cb -0.26 -0.63 0.00 0.00 0.06 0.00 0.00 34.95 34.12 1wki s ARG 5 CO 0.32 -0.14 0.00 0.54 -2.50 0.00 0.00 175.30 173.52 1wki n ARG 6 N 4.22 -5.03 -2.78 5.12 1.74 -1.26 -4.84 116.66 113.82 1wki n ARG 6 Ca -0.24 3.62 -0.43 0.00 -0.77 0.00 0.00 57.85 60.04 1wki n ARG 6 Cb 0.50 -3.93 -0.04 0.00 -1.02 0.00 0.00 32.46 27.98 1wki n ARG 6 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1wki s MET 7 N -0.86 3.40 -0.09 5.56 -1.94 -1.26 -4.83 119.30 119.29 1wki s MET 7 Ca 0.00 -0.09 0.22 0.00 -1.71 0.00 0.00 55.69 54.10 1wki s MET 7 Cb 0.00 -4.02 0.44 0.00 2.01 0.00 0.00 34.83 33.25 1wki s MET 7 CO 0.00 -1.48 1.18 1.63 -0.01 0.00 0.00 175.02 176.33 1wki n LYS 8 N 7.60 0.67 -2.76 2.03 4.76 -1.26 -5.08 118.16 124.13 1wki n LYS 8 Ca 0.04 -2.53 -0.42 0.00 -2.87 0.00 0.00 58.31 52.53 1wki n LYS 8 Cb 0.48 -0.62 -0.03 0.00 -1.84 0.00 0.00 35.03 33.02 1wki n LYS 8 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1wki s TYR 9 N -1.26 3.60 -0.16 2.13 5.04 -1.26 -5.04 117.35 120.40 1wki s TYR 9 Ca 0.35 1.58 -0.08 0.00 -2.44 0.00 0.00 57.07 56.48 1wki s TYR 9 Cb 0.38 -3.09 -0.04 0.00 0.35 0.00 0.00 41.96 39.56 1wki s TYR 9 CO -0.13 -0.07 0.13 0.50 -1.34 0.00 0.00 175.55 174.65 1wki s ARG 10 N 1.31 3.79 -0.96 4.97 6.06 -1.26 -5.02 118.95 127.84 1wki s ARG 10 Ca 0.48 -0.18 -0.24 0.00 -2.50 0.00 0.00 55.73 53.30 1wki s ARG 10 Cb -0.20 -3.29 -0.03 0.00 0.06 0.00 0.00 34.95 31.49 1wki s ARG 10 CO 0.23 0.55 1.83 -1.59 -2.50 0.00 0.00 175.30 173.83 1wki s LYS 11 N -0.37 2.81 0.14 5.12 0.00 -1.26 -4.95 119.74 121.23 1wki s LYS 11 Ca 0.12 -0.59 0.04 0.00 0.00 0.00 0.00 55.97 55.53 1wki s LYS 11 Cb -0.12 -5.16 -0.04 0.00 0.00 0.00 0.00 37.83 32.52 1wki s LYS 11 CO 0.01 -3.15 0.17 -1.14 0.00 0.00 0.00 175.35 171.24 1wki s GLN 12 N 6.45 3.05 0.32 1.78 0.74 -1.26 -5.08 119.66 125.65 1wki s GLN 12 Ca 0.64 -0.76 -0.29 0.00 0.05 0.00 0.00 55.36 55.01 1wki s GLN 12 Cb -0.04 -2.75 -0.10 0.00 1.10 0.00 0.00 33.01 31.21 1wki s GLN 12 CO -0.01 0.51 1.33 -0.65 -0.55 0.00 0.00 175.29 175.92 1wki s GLN 13 N -3.00 4.33 0.39 1.67 -1.52 -1.26 -5.03 119.66 115.24 1wki s GLN 13 Ca 0.32 2.24 0.05 0.00 -1.95 0.00 0.00 55.36 56.02 1wki s GLN 13 Cb -0.11 -3.08 -0.07 0.00 -0.22 0.00 0.00 33.01 29.54 1wki s GLN 13 CO 0.25 -0.24 0.03 1.03 -0.25 0.00 0.00 175.29 176.10 1wki s ARG 14 N -1.52 1.88 0.00 2.91 1.81 -1.26 -5.12 118.95 117.65 1wki s ARG 14 Ca 0.51 -2.07 0.00 0.00 -1.72 0.00 0.00 55.73 52.45 1wki s ARG 14 Cb -0.40 -1.35 0.00 0.00 -0.45 0.00 0.00 34.95 32.75 1wki s ARG 14 CO 0.51 -0.13 0.00 0.41 -0.68 0.00 0.00 175.30 175.41 1wki n GLY 15 N -0.90 -1.57 1.46 -3.53 0.00 -1.26 -5.04 105.19 94.36 1wki n GLY 15 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -4.17 -2.70 1.61 3.00 -1.26 -4.94 116.66 108.21 1wki n ARG 16 Ca 0.00 3.12 -0.31 0.00 -0.01 0.00 0.00 57.85 60.65 1wki n ARG 16 Cb 0.00 -3.54 -0.03 0.00 0.00 0.00 0.00 32.46 28.88 1wki n ARG 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1wki s LEU 17 N -3.50 3.77 -0.13 0.55 2.01 -1.26 -5.00 118.68 115.11 1wki s LEU 17 Ca 0.00 1.31 0.16 0.00 0.01 0.00 0.00 54.13 55.61 1wki s LEU 17 Cb 0.00 -4.21 -0.23 0.00 0.01 0.00 0.00 46.19 41.77 1wki s LEU 17 CO 0.00 -0.46 0.15 0.29 1.01 0.00 0.00 176.35 177.34 1wki n LYS 18 N -1.35 1.05 0.09 1.70 4.76 -1.26 -4.91 118.16 118.24 1wki n LYS 18 Ca 0.04 -0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1wki n LYS 18 Cb 0.54 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 32.29 1wki n LYS 18 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wki n GLY 19 N 1.83 -0.20 3.59 0.72 0.00 -1.26 -5.03 105.19 104.83 1wki n GLY 19 Ca -0.22 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.37 1wki n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wki n ALA 20 N -3.25 1.72 -3.62 4.61 0.00 -1.26 -4.93 120.51 113.77 1wki n ALA 20 Ca 0.00 -0.23 -0.19 0.00 0.00 0.00 0.00 53.44 53.03 1wki n ALA 20 Cb 0.00 -2.89 -0.15 0.00 0.00 0.00 0.00 19.45 16.41 1wki n ALA 20 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1wki s THR 21 N 8.19 -0.24 -0.89 0.00 -4.23 -1.26 -4.77 115.64 112.45 1wki s THR 21 Ca 1.02 0.18 -0.13 0.00 -1.18 0.00 0.00 61.69 61.58 1wki s THR 21 Cb -0.39 -0.41 0.23 0.00 1.34 0.00 0.00 72.50 73.27 1wki s THR 21 CO 0.37 0.01 0.84 -0.75 -0.54 0.00 0.00 174.62 174.55 1wki s LYS 22 N 2.27 3.72 0.00 3.99 2.47 -1.26 -4.95 119.74 125.99 1wki s LYS 22 Ca 0.04 -2.63 0.00 0.00 -1.56 0.00 0.00 55.97 51.82 1wki s LYS 22 Cb -0.13 -4.45 0.00 0.00 -1.46 0.00 0.00 37.83 31.79 1wki s LYS 22 CO -0.07 -1.28 0.00 0.41 0.16 0.00 0.00 175.35 174.57 1wki n GLY 23 N 3.69 3.89 2.73 5.54 0.00 -1.26 -4.73 105.19 115.04 1wki n GLY 23 Ca 0.16 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.27 0.39 0.00 -0.02 0.00 -1.26 -5.04 105.19 97.99 1wki n GLY 24 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.58 0.00 -2.58 1.61 9.92 -1.24 -5.05 116.55 119.80 1wki n ASP 25 Ca 0.06 0.39 -0.05 0.00 -0.53 0.00 0.00 54.79 54.66 1wki n ASP 25 Cb 0.69 -0.42 0.01 0.00 -0.64 0.00 0.00 41.12 40.76 1wki n ASP 25 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wki n TYR 26 N -1.81 -2.97 0.00 1.24 4.19 -1.26 -4.32 117.16 112.22 1wki n TYR 26 Ca 0.00 1.23 0.00 0.00 3.31 0.00 0.00 57.90 62.44 1wki n TYR 26 Cb 0.00 -3.61 0.00 0.00 0.49 0.00 0.00 39.34 36.22 1wki n TYR 26 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 1wki n VAL 27 N -0.10 0.00 0.00 2.97 0.31 -1.26 -4.73 118.33 115.51 1wki n VAL 27 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1wki n VAL 27 Cb 0.28 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.21 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 2.13 0.00 -2.42 3.52 0.00 -1.26 -4.86 120.51 117.62 1wki n ALA 28 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1wki n ALA 28 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1wki n ALA 28 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1wki s PHE 29 N 0.00 1.89 0.59 0.00 0.08 -1.26 -5.09 117.98 114.18 1wki s PHE 29 Ca 0.00 -0.77 0.00 0.00 0.12 0.00 0.00 56.93 56.28 1wki s PHE 29 Cb 0.00 -1.11 0.00 0.00 -0.57 0.00 0.00 43.02 41.34 1wki s PHE 29 CO 0.00 0.19 0.00 0.41 -0.10 0.00 0.00 175.22 175.72 1wki n GLY 30 N -0.57 -3.10 0.12 4.36 0.00 -1.26 -4.59 105.19 100.15 1wki n GLY 30 Ca -0.05 -0.97 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 1wki n GLY 30 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wki h ASP 31 N -1.43 0.28 -1.47 1.61 3.32 -0.63 -3.41 116.42 114.68 1wki h ASP 31 Ca -0.18 -0.24 -0.48 0.00 0.02 0.00 0.00 57.03 56.15 1wki h ASP 31 Cb 1.34 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 1wki h ASP 31 CO 0.07 0.45 -0.35 -0.31 -1.72 0.00 0.00 179.24 177.38 1wki s TYR 32 N -5.25 2.69 -0.21 4.55 2.02 -0.48 0.14 117.35 120.82 1wki s TYR 32 Ca -0.14 -0.48 -0.10 0.00 -0.37 0.00 0.00 57.07 55.98 1wki s TYR 32 Cb 0.07 -2.21 0.07 0.00 -0.40 0.00 0.00 41.96 39.49 1wki s TYR 32 CO 0.71 -0.20 0.48 0.20 -1.57 0.00 0.00 175.55 175.18 1wki s GLY 33 N -4.19 -0.42 -0.51 0.71 0.00 0.21 -2.91 107.32 100.21 1wki s GLY 33 Ca 0.50 1.76 -0.21 0.00 0.00 0.00 0.00 44.72 46.77 1wki s GLY 33 CO 0.29 2.06 0.73 -2.27 0.00 0.00 0.00 173.10 173.91 1wki s LEU 34 N 1.78 4.61 -0.02 0.66 1.98 0.30 -1.73 118.68 126.27 1wki s LEU 34 Ca -0.08 -0.63 -0.05 0.00 -2.89 0.00 0.00 54.13 50.48 1wki s LEU 34 Cb -0.09 -2.62 -0.04 0.00 0.66 0.00 0.00 46.19 44.10 1wki s LEU 34 CO -0.15 -0.97 0.22 0.54 -1.89 0.00 0.00 176.35 174.10 1wki s VAL 35 N 3.07 5.38 -0.48 1.68 0.11 -1.02 -0.23 120.40 128.90 1wki s VAL 35 Ca 0.21 0.05 -0.19 0.00 -2.93 0.00 0.00 61.98 59.13 1wki s VAL 35 Cb -0.16 -3.53 0.04 0.00 -1.53 0.00 0.00 36.38 31.20 1wki s VAL 35 CO 0.16 0.39 0.59 0.00 -3.33 0.00 0.00 175.10 172.90 1wki s ALA 36 N -1.27 3.39 -1.79 1.54 0.00 0.71 -2.23 121.76 122.11 1wki s ALA 36 Ca 0.25 -1.61 0.24 0.00 0.00 0.00 0.00 51.96 50.84 1wki s ALA 36 Cb -0.13 -3.28 1.33 0.00 0.00 0.00 0.00 23.12 21.04 1wki s ALA 36 CO 0.15 -1.88 1.78 1.28 0.00 0.00 0.00 175.76 177.09 1wki n LEU 37 N 6.05 0.00 -3.92 0.00 4.77 0.14 0.98 117.00 125.02 1wki n LEU 37 Ca -0.06 0.11 -0.09 0.00 -0.03 0.00 0.00 56.01 55.93 1wki n LEU 37 Cb 0.46 -0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.35 1wki n LEU 37 CO 0.52 -0.03 -0.21 -0.70 -1.33 0.00 0.00 177.39 175.65 1wki s GLU 38 N -2.21 0.60 0.23 3.23 2.12 -1.23 -4.38 118.70 117.06 1wki s GLU 38 Ca 0.31 -0.77 -0.30 0.00 0.36 0.00 0.00 54.97 54.57 1wki s GLU 38 Cb 0.16 0.24 -0.09 0.00 0.26 0.00 0.00 34.13 34.70 1wki s GLU 38 CO 0.30 -0.15 1.15 -2.14 -0.54 0.00 0.00 175.26 173.88 1wki s PRO 39 N -2.68 4.56 0.14 4.30 0.02 -1.26 -4.29 135.00 135.79 1wki s PRO 39 Ca -0.04 1.83 -0.25 0.00 0.02 0.00 0.00 61.00 62.56 1wki s PRO 39 Cb -0.01 -3.22 0.07 0.00 0.02 0.00 0.00 34.50 31.36 1wki s PRO 39 CO -0.05 0.06 0.92 0.00 -0.33 0.00 0.00 177.00 177.60 1wki s ALA 40 N -0.58 -1.65 -0.38 -1.55 0.00 -1.17 -4.87 121.76 111.56 1wki s ALA 40 Ca 0.49 0.23 -0.07 0.00 0.00 0.00 0.00 51.96 52.61 1wki s ALA 40 Cb -0.32 0.63 0.06 0.00 0.00 0.00 0.00 23.12 23.49 1wki s ALA 40 CO 0.39 -0.98 0.18 -1.58 0.00 0.00 0.00 175.76 173.77 1wki s TRP 41 N -3.32 3.32 -0.30 0.00 0.51 -1.26 -1.49 118.94 116.40 1wki s TRP 41 Ca 0.11 -1.54 -0.26 0.00 -2.12 0.00 0.00 56.10 52.29 1wki s TRP 41 Cb -0.02 -2.66 0.01 0.00 -0.81 0.00 0.00 33.47 30.00 1wki s TRP 41 CO 0.01 -0.80 0.92 0.42 -0.51 0.00 0.00 176.95 176.99 1wki s ILE 42 N 1.40 4.67 0.84 2.03 -1.09 -1.06 -4.72 121.20 123.26 1wki s ILE 42 Ca 0.01 1.48 -0.12 0.00 -2.23 0.00 0.00 60.65 59.79 1wki s ILE 42 Cb -0.21 -4.27 0.10 0.00 -1.58 0.00 0.00 42.46 36.50 1wki s ILE 42 CO 0.02 -0.33 1.17 0.42 -1.23 0.00 0.00 174.94 174.99 1wki s THR 43 N 3.25 2.00 0.20 2.92 -4.23 -1.26 -0.27 115.64 118.25 1wki s THR 43 Ca 0.38 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.79 1wki s THR 43 Cb -0.13 -2.94 0.13 0.00 1.34 0.00 0.00 72.50 70.90 1wki s THR 43 CO 0.13 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 176.05 1wki h ALA 44 N -1.19 0.86 -0.91 3.99 0.00 -1.91 -2.37 119.26 117.74 1wki h ALA 44 Ca -0.47 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.44 1wki h ALA 44 Cb 1.33 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 1wki h ALA 44 CO 0.64 0.16 0.60 1.96 0.00 0.00 0.00 179.25 182.61 1wki h GLN 45 N 0.79 1.16 -0.54 0.00 1.08 -1.93 -1.91 115.11 113.77 1wki h GLN 45 Ca 0.27 -0.07 0.03 0.00 -1.45 0.00 0.00 58.65 57.43 1wki h GLN 45 Cb 0.03 -0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 27.17 1wki h GLN 45 CO -0.11 0.76 0.36 1.96 -0.95 0.00 0.00 178.83 180.85 1wki h GLN 46 N 1.19 0.59 -0.02 1.46 4.20 -1.79 2.69 115.11 123.43 1wki h GLN 46 Ca 0.35 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 59.00 1wki h GLN 46 Cb -0.08 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.57 1wki h GLN 46 CO -0.09 0.39 -0.05 0.82 -0.67 0.00 0.00 178.83 179.23 1wki h ILE 47 N 0.61 1.47 0.07 2.54 2.04 -1.23 -2.74 117.51 120.27 1wki h ILE 47 Ca 0.22 -1.48 -0.16 0.00 1.00 0.00 0.00 64.86 64.43 1wki h ILE 47 Cb 0.11 2.42 -0.00 0.00 -0.74 0.00 0.00 36.82 38.61 1wki h ILE 47 CO -0.06 0.39 -0.81 -0.08 0.00 0.00 0.00 178.15 177.60 1wki h GLU 48 N -0.51 0.15 -0.49 2.37 4.81 -1.07 -2.99 114.58 116.85 1wki h GLU 48 Ca -0.00 -0.26 0.07 0.00 -0.13 0.00 0.00 59.36 59.04 1wki h GLU 48 Cb 0.67 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.09 1wki h GLU 48 CO 0.01 1.12 0.14 0.00 -0.73 0.00 0.00 179.01 179.56 1wki h ALA 49 N -0.06 0.58 -0.42 2.92 0.00 0.46 0.30 119.26 123.03 1wki h ALA 49 Ca -0.18 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1wki h ALA 49 Cb 1.44 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1wki h ALA 49 CO 0.03 -0.26 -0.09 0.00 0.00 0.00 0.00 179.25 178.93 1wki h ALA 50 N 1.35 0.58 -0.80 0.00 0.00 -1.52 -2.99 119.26 115.88 1wki h ALA 50 Ca 0.24 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1wki h ALA 50 Cb 0.28 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1wki h ALA 50 CO -0.27 0.45 0.52 0.00 0.00 0.00 0.00 179.25 179.95 1wki h ARG 51 N 0.63 1.02 -0.97 0.00 3.08 -1.24 -0.83 114.38 116.07 1wki h ARG 51 Ca 0.11 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.14 1wki h ARG 51 Cb 0.61 -0.23 -0.06 0.00 0.08 0.00 0.00 29.97 30.38 1wki h ARG 51 CO 0.04 0.67 0.63 0.28 -1.07 0.00 0.00 179.97 180.53 1wki h VAL 52 N 1.05 1.14 -0.21 2.04 2.07 -0.86 0.40 116.25 121.87 1wki h VAL 52 Ca 0.31 -0.41 -0.18 0.00 0.82 0.00 0.00 66.70 67.24 1wki h VAL 52 Cb -0.06 -0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 29.55 1wki h VAL 52 CO -0.09 0.22 -0.60 0.00 0.02 0.00 0.00 177.57 177.12 1wki h ALA 53 N 1.45 0.55 -0.05 1.67 0.00 -1.24 -2.61 119.26 119.03 1wki h ALA 53 Ca 0.40 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1wki h ALA 53 Cb 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1wki h ALA 53 CO -0.13 0.69 -0.08 0.52 0.00 0.00 0.00 179.25 180.24 1wki h MET 54 N 0.53 0.14 -0.96 0.00 2.07 -0.46 -0.95 114.93 115.29 1wki h MET 54 Ca -0.00 -0.09 0.07 0.00 -2.07 0.00 0.00 59.70 57.61 1wki h MET 54 Cb 1.18 0.01 -0.07 0.00 -1.87 0.00 0.00 31.60 30.85 1wki h MET 54 CO 0.12 0.66 0.61 0.28 1.07 0.00 0.00 176.91 179.65 1wki h VAL 55 N -0.36 1.05 0.00 -2.22 2.07 -0.30 -1.10 116.25 115.39 1wki h VAL 55 Ca 0.00 -0.37 -0.15 0.00 0.82 0.00 0.00 66.70 67.00 1wki h VAL 55 Cb 0.65 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1wki h VAL 55 CO 0.02 0.20 -0.71 0.03 0.02 0.00 0.00 177.57 177.13 1wki h ARG 56 N 1.09 0.00 -0.03 1.57 3.08 -1.48 -3.27 114.38 115.33 1wki h ARG 56 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.47 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 0.71 0.02 1.25 -1.07 0.00 0.00 179.97 180.70 1wki h HIS 57 N 0.00 0.04 -1.27 3.04 2.76 0.12 -3.40 115.15 116.45 1wki h HIS 57 Ca -0.01 0.00 -0.49 0.00 -2.20 0.00 0.00 60.37 57.68 1wki h HIS 57 Cb 1.30 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 30.23 1wki h HIS 57 CO 0.00 0.04 1.65 1.19 -1.30 0.00 0.00 177.93 179.51 1wki n PHE 58 N -5.06 1.29 0.12 5.26 3.72 -0.95 -4.78 117.46 117.06 1wki n PHE 58 Ca -0.06 0.17 0.14 0.00 -0.05 0.00 0.00 57.45 57.64 1wki n PHE 58 Cb 0.04 -2.58 0.65 0.00 -0.94 0.00 0.00 39.48 36.65 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 17.47 0.03 -0.71 -1.08 3.08 -1.89 -0.52 114.38 130.75 1wki h ARG 59 Ca -0.21 -0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.43 1wki h ARG 59 Cb 1.28 -0.01 -0.23 0.00 0.08 0.00 0.00 29.97 31.09 1wki h ARG 59 CO 1.19 0.02 0.24 0.54 -1.07 0.00 0.00 179.97 180.89 1wki n ARG 60 N -4.46 2.28 -1.35 0.04 5.12 -1.26 -5.07 116.66 111.96 1wki n ARG 60 Ca 0.04 -3.25 0.18 0.00 -1.93 0.00 0.00 57.85 52.89 1wki n ARG 60 Cb 0.35 -2.06 -0.05 0.00 -1.16 0.00 0.00 32.46 29.54 1wki n ARG 60 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wki n GLY 61 N -1.06 -2.21 0.00 -0.13 0.00 -0.21 -5.00 105.19 96.58 1wki n GLY 61 Ca 0.48 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 -4.10 -1.37 3.14 -0.02 0.00 -1.26 -4.67 105.19 96.91 1wki n GLY 62 Ca -0.01 -1.04 -0.11 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.11 0.58 0.01 1.61 -2.85 -1.26 -5.01 119.74 111.70 1wki s LYS 63 Ca 0.00 -0.52 0.04 0.00 -1.00 0.00 0.00 55.97 54.50 1wki s LYS 63 Cb 0.00 0.24 -0.01 0.00 -2.06 0.00 0.00 37.83 35.99 1wki s LYS 63 CO 0.00 -0.15 -0.14 0.42 0.10 0.00 0.00 175.35 175.58 1wki s ILE 64 N -1.95 1.09 -0.35 3.79 1.01 -1.26 -3.12 121.20 120.41 1wki s ILE 64 Ca -0.10 -0.71 -0.07 0.00 0.00 0.00 0.00 60.65 59.77 1wki s ILE 64 Cb -0.04 -0.94 0.04 0.00 0.01 0.00 0.00 42.46 41.53 1wki s ILE 64 CO -0.01 0.21 0.12 -0.36 0.00 0.00 0.00 174.94 174.91 1wki s PHE 65 N -0.48 3.27 -0.21 3.97 0.08 0.25 -4.93 117.98 119.92 1wki s PHE 65 Ca 0.04 -1.43 -0.15 0.00 0.12 0.00 0.00 56.93 55.52 1wki s PHE 65 Cb -0.06 -2.35 -0.04 0.00 -0.57 0.00 0.00 43.02 40.00 1wki s PHE 65 CO 0.00 -0.74 0.35 0.42 -0.10 0.00 0.00 175.22 175.15 1wki s ILE 66 N 1.41 5.23 -0.20 0.64 -1.09 -1.26 -2.09 121.20 123.83 1wki s ILE 66 Ca -0.01 0.60 0.16 0.00 -2.23 0.00 0.00 60.65 59.17 1wki s ILE 66 Cb -0.20 -3.68 -0.24 0.00 -1.58 0.00 0.00 42.46 36.76 1wki s ILE 66 CO 0.03 0.26 0.04 -1.14 -1.23 0.00 0.00 174.94 172.91 1wki n ARG 67 N 4.48 0.76 -2.31 2.79 0.63 -1.23 -4.96 116.66 116.83 1wki n ARG 67 Ca -0.10 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.44 1wki n ARG 67 Cb 0.51 -1.51 -0.03 0.00 0.45 0.00 0.00 32.46 31.89 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 -2.48 3.14 -0.11 5.15 -4.36 -1.26 -5.05 121.20 116.24 1wki s ILE 68 Ca -0.12 1.08 -0.07 0.00 -0.26 0.00 0.00 60.65 61.28 1wki s ILE 68 Cb 0.06 -3.66 0.04 0.00 1.25 0.00 0.00 42.46 40.15 1wki s ILE 68 CO 0.79 0.20 0.26 0.12 0.24 0.00 0.00 174.94 176.56 1wki s PHE 69 N -1.25 -0.33 0.17 1.37 5.36 -1.26 -5.07 117.98 116.97 1wki s PHE 69 Ca 0.50 0.78 -0.31 0.00 -0.96 0.00 0.00 56.93 56.94 1wki s PHE 69 Cb -0.34 0.08 -0.10 0.00 -0.34 0.00 0.00 43.02 42.33 1wki s PHE 69 CO 0.44 -0.20 1.53 -2.14 -1.46 0.00 0.00 175.22 173.38 1wki s PRO 70 N 0.83 4.24 0.05 10.12 0.02 -1.26 -4.44 135.00 144.56 1wki s PRO 70 Ca -0.06 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.28 1wki s PRO 70 Cb -0.07 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.29 1wki s PRO 70 CO -0.05 -0.56 0.00 -0.25 -0.33 0.00 0.00 177.00 175.81 1wki n ASP 71 N 3.72 0.03 -4.81 2.53 9.92 -0.46 -4.82 116.55 122.66 1wki n ASP 71 Ca 0.12 0.08 -0.36 0.00 -0.53 0.00 0.00 54.79 54.10 1wki n ASP 71 Cb 0.39 0.04 -0.06 0.00 -0.64 0.00 0.00 41.12 40.85 1wki n ASP 71 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1wki s LYS 72 N -2.00 4.26 1.17 -1.24 -0.14 -1.21 -4.86 119.74 115.73 1wki s LYS 72 Ca 0.00 0.87 -0.16 0.00 -1.36 0.00 0.00 55.97 55.32 1wki s LYS 72 Cb 0.00 -2.91 0.27 0.00 -1.68 0.00 0.00 37.83 33.51 1wki s LYS 72 CO 0.00 0.41 1.06 -1.25 -0.76 0.00 0.00 175.35 174.81 1wki s PRO 73 N -1.90 -0.97 -0.55 -1.68 0.04 -1.26 -1.02 135.00 127.66 1wki s PRO 73 Ca 0.42 0.30 0.04 0.00 0.04 0.00 0.00 61.00 61.80 1wki s PRO 73 Cb -0.17 -1.59 0.16 0.00 0.04 0.00 0.00 34.50 32.93 1wki s PRO 73 CO 0.21 -3.62 0.37 -0.47 0.04 0.00 0.00 177.00 173.53 1wki s TYR 74 N -2.78 2.51 -0.24 0.56 6.14 -1.10 -4.60 117.35 117.84 1wki s TYR 74 Ca 0.68 -2.83 0.02 0.00 0.64 0.00 0.00 57.07 55.58 1wki s TYR 74 Cb -0.16 -2.05 0.05 0.00 0.42 0.00 0.00 41.96 40.21 1wki s TYR 74 CO 0.58 -0.69 -0.13 0.95 0.64 0.00 0.00 175.55 176.90 1wki s THR 75 N -0.51 2.19 -0.45 4.34 -4.23 -1.26 -1.53 115.64 114.19 1wki s THR 75 Ca 0.24 -1.43 0.04 0.00 -1.18 0.00 0.00 61.69 59.36 1wki s THR 75 Cb -0.09 -2.19 0.62 0.00 1.34 0.00 0.00 72.50 72.17 1wki s THR 75 CO -0.12 0.12 1.86 0.29 -0.54 0.00 0.00 174.62 176.24 1wki n LYS 76 N 4.49 2.26 -3.57 3.99 4.76 -1.26 -4.87 118.16 123.96 1wki n LYS 76 Ca -0.16 -3.09 -0.40 0.00 -2.87 0.00 0.00 58.31 51.79 1wki n LYS 76 Cb 0.44 -2.14 -0.09 0.00 -1.84 0.00 0.00 35.03 31.40 1wki n LYS 76 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1wki s LYS 77 N -3.36 2.43 0.13 1.97 2.47 -1.26 -4.95 119.74 117.17 1wki s LYS 77 Ca 0.56 -1.77 -0.13 0.00 -1.56 0.00 0.00 55.97 53.06 1wki s LYS 77 Cb 0.47 -3.90 -0.02 0.00 -1.46 0.00 0.00 37.83 32.92 1wki s LYS 77 CO 0.08 -1.19 1.54 -1.00 0.16 0.00 0.00 175.35 174.94 1wki h PRO 78 N 8.42 0.79 -5.31 4.03 0.13 -2.05 -3.42 132.00 134.58 1wki h PRO 78 Ca -0.20 -0.30 -0.64 0.00 -0.87 0.00 0.00 66.00 63.98 1wki h PRO 78 Cb 1.07 -0.05 -0.23 0.00 0.13 0.00 0.00 31.00 31.92 1wki h PRO 78 CO 0.85 0.91 -0.70 -0.51 -0.23 0.00 0.00 178.00 178.32 1wki s LEU 79 N -9.26 3.06 -0.38 1.56 1.02 -1.26 -5.03 118.68 108.39 1wki s LEU 79 Ca -0.12 -0.20 0.12 0.00 0.02 0.00 0.00 54.13 53.94 1wki s LEU 79 Cb 0.10 -1.72 0.35 0.00 0.02 0.00 0.00 46.19 44.94 1wki s LEU 79 CO 0.82 0.17 0.74 1.21 0.02 0.00 0.00 176.35 179.31 1wki n GLU 80 N 3.53 1.06 -3.83 1.70 4.07 -1.26 -5.06 120.64 120.85 1wki n GLU 80 Ca -0.18 -3.44 -0.36 0.00 -0.06 0.00 0.00 57.16 53.13 1wki n GLU 80 Cb 0.53 -1.73 -0.13 0.00 -0.06 0.00 0.00 31.44 30.05 1wki n GLU 80 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1wki s VAL 81 N -2.51 3.29 0.00 6.31 1.01 -1.26 -4.76 120.40 122.48 1wki s VAL 81 Ca 0.40 -1.52 0.00 0.00 0.00 0.00 0.00 61.98 60.87 1wki s VAL 81 Cb 0.35 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.73 1wki s VAL 81 CO -0.08 -0.30 0.00 0.54 0.00 0.00 0.00 175.10 175.26 1wki n ARG 82 N 4.67 0.00 -0.10 2.72 1.74 -1.26 -5.03 116.66 119.39 1wki n ARG 82 Ca -0.10 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.84 1wki n ARG 82 Cb 0.43 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.82 1wki n ARG 82 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1wki n MET 83 N -1.75 0.53 -2.28 5.56 2.81 -1.26 -4.99 117.12 115.75 1wki n MET 83 Ca 0.00 0.31 -0.19 0.00 -1.81 0.00 0.00 57.70 56.02 1wki n MET 83 Cb 0.00 -1.52 -0.02 0.00 -0.71 0.00 0.00 33.22 30.97 1wki n MET 83 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1wki n GLY 84 N 1.43 -0.15 0.01 3.03 0.00 -1.26 -4.84 105.19 103.41 1wki n GLY 84 Ca -0.25 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.87 1wki n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wki n LYS 85 N -2.85 0.63 0.00 1.61 3.00 -1.26 -4.98 118.16 114.31 1wki n LYS 85 Ca -0.22 -0.14 0.00 0.00 -0.00 0.00 0.00 58.31 57.95 1wki n LYS 85 Cb 0.66 -1.44 0.00 0.00 0.00 0.00 0.00 35.03 34.25 1wki n LYS 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wki n GLY 86 N 1.42 1.98 0.00 3.14 0.00 -1.26 -5.08 105.19 105.38 1wki n GLY 86 Ca -0.02 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1wki n GLY 86 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wki n LYS 87 N 0.00 0.85 -0.01 1.61 0.00 -1.26 -5.16 118.16 114.19 1wki n LYS 87 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1wki n LYS 87 Cb 0.00 -0.96 0.00 0.00 -0.00 0.00 0.00 35.03 34.07 1wki n LYS 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wki n GLY 88 N 3.23 1.01 3.04 2.58 0.00 -1.26 -5.07 105.19 108.71 1wki n GLY 88 Ca 0.00 -1.93 -0.31 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.41 3.57 -0.11 1.61 2.47 -1.26 -5.12 114.94 114.70 1wki s ASN 89 Ca 0.00 -0.95 -0.03 0.00 0.42 0.00 0.00 52.86 52.30 1wki s ASN 89 Cb 0.00 -1.35 -0.03 0.00 -1.45 0.00 0.00 41.25 38.41 1wki s ASN 89 CO 0.00 -0.13 0.01 0.54 -3.72 0.00 0.00 177.10 173.81 1wki s VAL 90 N 1.31 4.40 -0.53 -5.21 0.11 -1.26 -4.76 120.40 114.46 1wki s VAL 90 Ca -0.02 -0.20 -0.02 0.00 -2.93 0.00 0.00 61.98 58.81 1wki s VAL 90 Cb -0.16 -2.88 0.34 0.00 -1.53 0.00 0.00 36.38 32.14 1wki s VAL 90 CO -0.08 0.58 2.06 -0.62 -3.33 0.00 0.00 175.10 173.70 1wki n GLU 91 N 2.46 2.34 0.00 1.54 -0.58 -0.58 -4.97 120.64 120.85 1wki n GLU 91 Ca -0.18 -2.60 0.00 0.00 -0.42 0.00 0.00 57.16 53.96 1wki n GLU 91 Cb 0.53 -2.02 0.00 0.00 -0.57 0.00 0.00 31.44 29.38 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 -0.34 -2.64 3.82 0.62 0.00 -1.26 -4.76 105.19 100.62 1wki n GLY 92 Ca 0.49 -1.36 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.65 3.11 0.25 1.61 1.51 -1.26 -2.69 117.35 116.23 1wki s TYR 93 Ca 0.00 1.43 0.01 0.00 -1.01 0.00 0.00 57.07 57.50 1wki s TYR 93 Cb 0.00 -2.89 -0.04 0.00 -0.11 0.00 0.00 41.96 38.92 1wki s TYR 93 CO 0.00 -1.21 0.15 0.14 -1.11 0.00 0.00 175.55 173.52 1wki s VAL 94 N -3.00 0.14 -0.28 0.71 -7.23 -0.19 -3.09 120.40 107.46 1wki s VAL 94 Ca 0.58 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.76 1wki s VAL 94 Cb -0.14 -2.52 0.08 0.00 0.56 0.00 0.00 36.38 34.36 1wki s VAL 94 CO 0.53 0.00 0.03 0.00 -0.31 0.00 0.00 175.10 175.36 1wki s ALA 95 N -3.89 1.93 0.21 1.32 0.00 0.63 -1.36 121.76 120.60 1wki s ALA 95 Ca 0.38 -1.68 -0.32 0.00 0.00 0.00 0.00 51.96 50.35 1wki s ALA 95 Cb 0.06 -1.60 -0.12 0.00 0.00 0.00 0.00 23.12 21.46 1wki s ALA 95 CO 0.16 -1.47 1.70 0.28 0.00 0.00 0.00 175.76 176.42 1wki n VAL 96 N 4.68 0.05 -4.36 0.00 0.31 -1.26 -2.57 118.33 115.17 1wki n VAL 96 Ca -0.05 -0.01 -0.19 0.00 -0.01 0.00 0.00 64.34 64.08 1wki n VAL 96 Cb 0.43 -1.92 -0.10 0.00 -0.91 0.00 0.00 33.84 31.34 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 1.08 1.69 0.15 2.52 1.01 -0.55 -4.99 120.40 121.30 1wki s VAL 97 Ca 0.75 -2.19 0.05 0.00 0.00 0.00 0.00 61.98 60.60 1wki s VAL 97 Cb -0.53 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1wki s VAL 97 CO 0.34 -0.53 -0.11 -0.54 0.00 0.00 0.00 175.10 174.26 1wki s LYS 98 N -3.67 1.10 -0.28 2.72 -0.14 -1.26 -3.04 119.74 115.16 1wki s LYS 98 Ca 0.24 -1.45 -0.33 0.00 -1.36 0.00 0.00 55.97 53.07 1wki s LYS 98 Cb 0.00 -0.72 -0.10 0.00 -1.68 0.00 0.00 37.83 35.33 1wki s LYS 98 CO 0.08 0.10 2.16 -2.30 -0.76 0.00 0.00 175.35 174.63 1wki n PRO 99 N -0.16 1.44 0.00 -1.68 -0.02 -1.22 -2.09 135.00 131.28 1wki n PRO 99 Ca -0.10 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1wki n PRO 99 Cb 0.60 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 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 6.05 1.89 3.36 -1.23 0.00 0.27 -4.74 105.19 110.79 1wki n GLY 100 Ca 0.36 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.64 3.44 -0.57 1.61 3.00 -0.89 -3.63 118.95 121.27 1wki s ARG 101 Ca 0.00 -0.62 -0.28 0.00 0.00 0.00 0.00 55.73 54.83 1wki s ARG 101 Cb 0.00 -2.89 0.02 0.00 0.00 0.00 0.00 34.95 32.08 1wki s ARG 101 CO 0.00 -0.01 1.31 0.08 0.00 0.00 0.00 175.30 176.68 1wki s VAL 102 N 0.97 3.89 -0.12 3.52 1.01 -1.26 -0.21 120.40 128.21 1wki s VAL 102 Ca -0.00 0.78 0.17 0.00 0.00 0.00 0.00 61.98 62.92 1wki s VAL 102 Cb -0.15 -4.59 -0.18 0.00 0.00 0.00 0.00 36.38 31.47 1wki s VAL 102 CO 0.00 -1.26 0.67 0.23 0.00 0.00 0.00 175.10 174.73 1wki n MET 103 N 8.57 0.64 -4.03 2.72 0.00 0.68 -4.62 117.12 121.07 1wki n MET 103 Ca 0.10 0.16 -0.10 0.00 0.00 0.00 0.00 57.70 57.86 1wki n MET 103 Cb 0.49 -1.74 -0.11 0.00 0.00 0.00 0.00 33.22 31.86 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 -2.88 0.45 -0.21 2.03 0.40 -1.14 -3.48 117.98 113.16 1wki s PHE 104 Ca -0.05 -0.60 -0.05 0.00 -0.60 0.00 0.00 56.93 55.64 1wki s PHE 104 Cb 0.09 -0.30 0.11 0.00 0.51 0.00 0.00 43.02 43.43 1wki s PHE 104 CO 0.82 -0.17 0.40 -1.21 0.70 0.00 0.00 175.22 175.76 1wki s GLU 105 N -1.88 0.32 0.32 0.44 8.01 -0.89 0.11 118.70 125.13 1wki s GLU 105 Ca -0.10 0.84 0.07 0.00 0.01 0.00 0.00 54.97 55.79 1wki s GLU 105 Cb -0.07 0.02 -0.02 0.00 -4.31 0.00 0.00 34.13 29.75 1wki s GLU 105 CO -0.02 -0.40 0.33 0.14 0.01 0.00 0.00 175.26 175.33 1wki s VAL 106 N 2.58 3.87 -0.27 2.63 -7.23 -1.15 0.87 120.40 121.70 1wki s VAL 106 Ca 0.04 -1.25 -0.24 0.00 -1.81 0.00 0.00 61.98 58.72 1wki s VAL 106 Cb -0.13 -3.30 0.09 0.00 0.56 0.00 0.00 36.38 33.59 1wki s VAL 106 CO -0.14 -0.20 0.79 0.00 -0.31 0.00 0.00 175.10 175.25 1wki s ALA 107 N -2.23 -1.85 0.00 1.32 0.00 -1.18 0.14 121.76 117.95 1wki s ALA 107 Ca 0.41 2.05 0.00 0.00 0.00 0.00 0.00 51.96 54.42 1wki s ALA 107 Cb -0.07 -1.29 0.00 0.00 0.00 0.00 0.00 23.12 21.76 1wki s ALA 107 CO 0.28 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.12 1wki n GLY 108 N 2.82 3.09 3.91 0.00 0.00 -1.26 -4.06 105.19 109.69 1wki n GLY 108 Ca -0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.98 4.36 1.11 1.61 -7.23 -1.26 -5.02 120.40 110.99 1wki s VAL 109 Ca 0.00 0.20 -0.14 0.00 -1.81 0.00 0.00 61.98 60.23 1wki s VAL 109 Cb 0.00 -3.70 0.25 0.00 0.56 0.00 0.00 36.38 33.49 1wki s VAL 109 CO 0.00 -0.73 1.07 0.42 -0.31 0.00 0.00 175.10 175.55 1wki s THR 110 N -2.90 1.90 0.24 5.32 -4.23 -1.26 -4.75 115.64 109.96 1wki s THR 110 Ca 0.51 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 61.07 1wki s THR 110 Cb -0.10 -2.35 -0.04 0.00 1.34 0.00 0.00 72.50 71.35 1wki s THR 110 CO 0.46 0.00 1.57 -0.08 -0.54 0.00 0.00 174.62 176.03 1wki h GLU 111 N -2.32 0.24 -0.21 3.99 4.22 -1.97 0.35 114.58 118.88 1wki h GLU 111 Ca -0.55 -0.16 -0.07 0.00 0.08 0.00 0.00 59.36 58.66 1wki h GLU 111 Cb 1.33 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.60 1wki h GLU 111 CO 0.51 0.76 -0.15 1.49 -2.18 0.00 0.00 179.01 179.44 1wki h GLU 112 N 0.18 0.48 -0.03 1.92 4.22 -1.98 0.43 114.58 119.80 1wki h GLU 112 Ca -0.00 -0.23 -0.22 0.00 0.08 0.00 0.00 59.36 58.99 1wki h GLU 112 Cb 1.09 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1wki h GLU 112 CO 0.09 0.79 -0.88 1.96 -2.18 0.00 0.00 179.01 178.79 1wki h GLN 113 N 0.17 0.43 -0.08 1.92 4.20 -1.92 -2.05 115.11 117.77 1wki h GLN 113 Ca 0.04 -0.43 -0.03 0.00 0.06 0.00 0.00 58.65 58.29 1wki h GLN 113 Cb 0.67 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.57 1wki h GLN 113 CO 0.04 1.08 -0.06 0.00 -0.67 0.00 0.00 178.83 179.22 1wki h ALA 114 N 0.77 0.11 -0.30 3.87 0.00 -0.93 0.26 119.26 123.04 1wki h ALA 114 Ca -0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1wki h ALA 114 Cb 1.50 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1wki h ALA 114 CO 0.15 -0.09 0.08 0.52 0.00 0.00 0.00 179.25 179.91 1wki h MET 115 N -0.23 0.47 -0.09 0.00 2.86 -0.99 0.71 114.93 117.66 1wki h MET 115 Ca 0.01 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1wki h MET 115 Cb 0.55 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 1wki h MET 115 CO 0.02 0.55 0.00 1.49 1.06 0.00 0.00 176.91 180.02 1wki h GLU 116 N 0.32 0.16 -0.21 1.72 4.81 -1.41 -1.45 114.58 118.52 1wki h GLU 116 Ca 0.09 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1wki h GLU 116 Cb 0.28 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 1wki h GLU 116 CO 0.00 0.42 0.05 0.00 -0.73 0.00 0.00 179.01 178.75 1wki h ALA 117 N 0.74 0.22 -0.19 2.92 0.00 -0.44 0.29 119.26 122.80 1wki h ALA 117 Ca 0.03 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1wki h ALA 117 Cb 0.35 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1wki h ALA 117 CO 0.00 -0.37 0.12 -0.07 0.00 0.00 0.00 179.25 178.94 1wki h LEU 118 N 0.14 0.22 -0.07 0.00 4.07 -0.83 -1.96 115.31 116.89 1wki h LEU 118 Ca 0.09 -0.01 -0.24 0.00 0.08 0.00 0.00 57.88 57.81 1wki h LEU 118 Cb 0.08 -0.06 0.02 0.00 1.08 0.00 0.00 40.66 41.78 1wki h LEU 118 CO -0.12 0.16 -0.87 -0.09 -1.08 0.00 0.00 178.44 176.44 1wki h ARG 119 N 0.26 0.72 -0.84 1.13 2.43 -0.10 -3.09 114.38 114.89 1wki h ARG 119 Ca 0.07 -0.68 0.18 0.00 -0.81 0.00 0.00 59.98 58.74 1wki h ARG 119 Cb -0.03 0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 29.63 1wki h ARG 119 CO -0.01 1.27 0.56 0.82 -1.51 0.00 0.00 179.97 181.10 1wki h ILE 120 N 0.41 0.74 -0.04 1.20 2.04 0.31 0.24 117.51 122.41 1wki h ILE 120 Ca -0.09 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 1wki h ILE 120 Cb 1.52 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1wki h ILE 120 CO 0.18 0.08 -0.08 0.00 0.00 0.00 0.00 178.15 178.32 1wki h ALA 121 N 1.62 0.07 0.00 1.87 0.00 -1.49 -3.13 119.26 118.20 1wki h ALA 121 Ca 0.43 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1wki h ALA 121 Cb 1.01 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1wki h ALA 121 CO -0.16 -0.09 -0.08 0.78 0.00 0.00 0.00 179.25 179.71 1wki h GLY 122 N -0.38 0.00 0.97 0.00 0.00 -1.14 -2.89 103.07 99.63 1wki h GLY 122 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1wki h GLY 122 CO 0.02 0.00 0.22 0.45 0.00 0.00 0.00 176.54 177.23 1wki h HIS 123 N 0.00 0.54 -0.00 5.60 -0.00 -0.52 -1.72 115.15 119.05 1wki h HIS 123 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1wki h HIS 123 Cb 0.38 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 27.62 1wki h HIS 123 CO 0.00 0.41 0.00 0.36 -0.00 0.00 0.00 177.93 178.70 1wki n LYS 124 N -4.75 1.15 -2.80 2.45 2.85 -1.10 -4.85 118.16 111.12 1wki n LYS 124 Ca 0.00 -0.22 -0.31 0.00 -1.05 0.00 0.00 58.31 56.73 1wki n LYS 124 Cb 0.07 -1.49 -0.04 0.00 -0.65 0.00 0.00 35.03 32.92 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 -1.99 3.83 -0.03 -5.58 1.43 -0.65 -4.97 118.68 110.72 1wki s LEU 125 Ca 0.45 1.28 0.05 0.00 -1.03 0.00 0.00 54.13 54.89 1wki s LEU 125 Cb 0.22 -4.16 0.22 0.00 0.03 0.00 0.00 46.19 42.49 1wki s LEU 125 CO 0.36 -0.41 1.02 -0.81 0.23 0.00 0.00 176.35 176.74 1wki n PRO 126 N -1.17 1.82 -4.08 1.29 -0.04 -1.26 -4.87 135.00 126.69 1wki n PRO 126 Ca 0.04 -0.86 -0.10 0.00 -0.04 0.00 0.00 63.50 62.54 1wki n PRO 126 Cb 0.54 -1.44 -0.08 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.62 0.05 0.16 0.52 -5.25 -1.26 -4.97 121.20 108.83 1wki s ILE 127 Ca 0.15 -1.70 -0.28 0.00 -0.99 0.00 0.00 60.65 57.83 1wki s ILE 127 Cb 0.10 -2.12 -0.07 0.00 2.95 0.00 0.00 42.46 43.32 1wki s ILE 127 CO 0.07 -0.23 0.89 -0.75 -1.79 0.00 0.00 174.94 173.14 1wki s LYS 128 N -4.05 4.71 0.03 0.37 2.36 -1.26 -4.89 119.74 117.01 1wki s LYS 128 Ca 0.26 1.36 0.01 0.00 -2.55 0.00 0.00 55.97 55.04 1wki s LYS 128 Cb 0.05 -3.32 -0.02 0.00 -1.05 0.00 0.00 37.83 33.49 1wki s LYS 128 CO 0.05 0.40 -0.05 0.95 1.55 0.00 0.00 175.35 178.25 1wki s THR 129 N -0.64 0.28 0.07 3.43 -4.23 -1.26 0.29 115.64 113.58 1wki s THR 129 Ca 0.42 -1.08 0.03 0.00 -1.18 0.00 0.00 61.69 59.88 1wki s THR 129 Cb -0.24 -0.53 -0.03 0.00 1.34 0.00 0.00 72.50 73.04 1wki s THR 129 CO 0.29 -0.51 -0.09 -1.59 -0.54 0.00 0.00 174.62 172.17 1wki s LYS 130 N -1.78 0.70 0.09 3.99 -2.85 -0.95 -4.96 119.74 113.98 1wki s LYS 130 Ca -0.11 -0.98 -0.24 0.00 -1.00 0.00 0.00 55.97 53.63 1wki s LYS 130 Cb -0.08 -0.42 -0.07 0.00 -2.06 0.00 0.00 37.83 35.21 1wki s LYS 130 CO -0.01 0.07 0.75 0.42 0.10 0.00 0.00 175.35 176.67 1wki s ILE 131 N -2.00 4.60 -0.14 3.79 -1.09 -1.26 -2.45 121.20 122.65 1wki s ILE 131 Ca -0.01 1.61 -0.08 0.00 -2.23 0.00 0.00 60.65 59.94 1wki s ILE 131 Cb -0.06 -4.10 0.05 0.00 -1.58 0.00 0.00 42.46 36.78 1wki s ILE 131 CO -0.00 0.44 0.34 0.68 -1.23 0.00 0.00 174.94 175.17 1wki s VAL 132 N -0.56 -0.03 0.93 2.92 -7.23 -0.71 -4.96 120.40 110.76 1wki s VAL 132 Ca 0.36 0.12 -0.12 0.00 -1.81 0.00 0.00 61.98 60.53 1wki s VAL 132 Cb -0.21 -0.51 0.15 0.00 0.56 0.00 0.00 36.38 36.36 1wki s VAL 132 CO 0.24 0.05 1.09 -0.60 -0.31 0.00 0.00 175.10 175.56 1wki s ARG 133 N 1.33 0.96 0.00 4.82 3.52 -1.25 0.65 118.95 128.99 1wki s ARG 133 Ca -0.09 0.86 0.00 0.00 -0.13 0.00 0.00 55.73 56.37 1wki s ARG 133 Cb -0.09 -1.77 0.00 0.00 -1.56 0.00 0.00 34.95 31.53 1wki s ARG 133 CO -0.11 -2.45 0.28 -2.13 -0.81 0.00 0.00 175.30 170.08 1wki n ARG 134 N -4.03 0.00 -0.63 5.12 0.63 0.36 -1.83 116.66 116.28 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 -1.29 -0.02 0.00 0.45 0.00 0.00 32.46 32.15 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 -0.78 -0.32 -4.05 6.15 8.00 -1.26 -4.85 116.55 119.45 1wki n ASP 135 Ca 0.00 -1.23 -0.34 0.00 0.71 0.00 0.00 54.79 53.94 1wki n ASP 135 Cb 0.00 0.10 -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 3.29 -0.29 2.24 0.00 -0.76 -5.05 121.76 121.19 1wki s ALA 136 Ca 0.00 -2.96 0.00 0.00 0.00 0.00 0.00 51.96 49.00 1wki s ALA 136 Cb 0.00 -2.35 0.09 0.00 0.00 0.00 0.00 23.12 20.86 1wki s ALA 136 CO 0.00 -1.93 0.05 0.71 0.00 0.00 0.00 175.76 174.58 1wki s TYR 137 N 0.34 2.25 -0.91 0.00 1.51 -1.26 -3.90 117.35 115.37 1wki s TYR 137 Ca 0.14 -1.94 -0.24 0.00 -1.01 0.00 0.00 57.07 54.02 1wki s TYR 137 Cb -0.22 -1.88 0.05 0.00 -0.11 0.00 0.00 41.96 39.80 1wki s TYR 137 CO -0.04 -0.85 1.35 -0.51 -1.11 0.00 0.00 175.55 174.40 1wki s ASP 138 N 1.43 6.39 0.52 2.29 1.11 -1.26 -5.00 116.67 122.15 1wki s ASP 138 Ca 0.05 -1.18 -0.19 0.00 0.18 0.00 0.00 52.55 51.41 1wki s ASP 138 Cb -0.18 -2.55 -0.07 0.00 1.07 0.00 0.00 42.92 41.19 1wki s ASP 138 CO -0.16 -1.57 1.07 -1.61 1.18 0.00 0.00 175.17 174.08 1wki s GLU 139 N 4.98 3.61 -0.74 8.23 0.41 -1.26 -4.95 118.70 128.98 1wki s GLU 139 Ca 0.40 1.42 -0.26 0.00 -0.41 0.00 0.00 54.97 56.12 1wki s GLU 139 Cb -0.04 -2.06 0.01 0.00 -1.78 0.00 0.00 34.13 30.27 1wki s GLU 139 CO -0.01 -0.60 1.48 0.00 -0.49 0.00 0.00 175.26 175.64 1wki s ALA 140 N -1.97 2.54 0.00 5.21 0.00 -1.26 -5.32 121.76 120.96 1wki s ALA 140 Ca 0.69 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 51.39 1wki s ALA 140 Cb -0.19 -4.31 0.00 0.00 0.00 0.00 0.00 23.12 18.63 1wki s ALA 140 CO 0.24 -3.55 0.00 0.94 0.00 0.00 0.00 175.76 173.39