#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckl n GLU 2 N 0.00 3.45 -2.35 0.00 1.02 -1.26 0.22 120.64 121.72 1ckl n GLU 2 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1ckl n GLU 2 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 1ckl n GLU 2 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1ckl s GLU 3 N 2.08 4.43 0.78 3.49 8.01 -1.26 -4.54 118.70 131.70 1ckl s GLU 3 Ca 0.00 1.88 -0.14 0.00 0.01 0.00 0.00 54.97 56.73 1ckl s GLU 3 Cb 0.00 -3.28 0.07 0.00 -4.31 0.00 0.00 34.13 26.61 1ckl s GLU 3 CO 0.00 -0.22 1.20 -1.25 0.01 0.00 0.00 175.26 175.01 1ckl s PRO 4 N 0.45 1.81 1.10 0.39 0.04 -1.26 -4.98 135.00 132.55 1ckl s PRO 4 Ca 0.57 1.74 -0.19 0.00 0.04 0.00 0.00 61.00 63.17 1ckl s PRO 4 Cb -0.32 -1.80 0.08 0.00 0.04 0.00 0.00 34.50 32.50 1ckl s PRO 4 CO 0.33 -2.08 -0.05 -2.30 0.04 0.00 0.00 177.00 172.94 1ckl n PRO 5 N -3.12 -1.39 -5.17 0.56 -0.02 -1.26 -5.03 135.00 119.56 1ckl n PRO 5 Ca 0.13 -0.39 -0.31 0.00 -2.02 0.00 0.00 63.50 60.92 1ckl n PRO 5 Cb 0.50 -1.67 -0.16 0.00 -0.02 0.00 0.00 33.50 32.16 1ckl n PRO 5 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1ckl s THR 6 N -2.24 2.06 0.24 3.45 -4.23 -1.26 -4.90 115.64 108.76 1ckl s THR 6 Ca 0.55 -1.19 0.07 0.00 -1.18 0.00 0.00 61.69 59.94 1ckl s THR 6 Cb -0.11 -1.72 -0.05 0.00 1.34 0.00 0.00 72.50 71.95 1ckl s THR 6 CO 0.66 0.51 -0.10 -0.36 -0.54 0.00 0.00 174.62 174.79 1ckl s PHE 7 N -0.67 1.81 -0.38 3.99 0.08 -1.24 -5.04 117.98 116.53 1ckl s PHE 7 Ca 0.10 -0.65 0.23 0.00 0.12 0.00 0.00 56.93 56.73 1ckl s PHE 7 Cb -0.10 -0.94 0.25 0.00 -0.57 0.00 0.00 43.02 41.66 1ckl s PHE 7 CO -0.00 0.30 1.47 1.49 -0.10 0.00 0.00 175.22 178.38 1ckl h GLU 8 N 2.43 0.00 0.00 0.44 4.81 -2.00 -3.37 114.58 116.88 1ckl h GLU 8 Ca -0.39 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.81 1ckl h GLU 8 Cb 1.23 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 1ckl h GLU 8 CO 0.64 0.01 -1.25 0.00 -0.73 0.00 0.00 179.01 177.69 1ckl n ALA 9 N -2.12 2.06 -2.65 2.92 0.00 -1.26 -4.95 120.51 114.50 1ckl n ALA 9 Ca 0.03 -0.18 -0.32 0.00 0.00 0.00 0.00 53.44 52.96 1ckl n ALA 9 Cb 0.54 -0.03 -0.09 0.00 0.00 0.00 0.00 19.45 19.87 1ckl n ALA 9 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1ckl s MET 10 N -2.23 2.71 -0.08 0.00 -1.94 -1.26 -0.69 119.30 115.82 1ckl s MET 10 Ca -0.02 -0.65 0.05 0.00 -1.71 0.00 0.00 55.69 53.36 1ckl s MET 10 Cb 0.02 -2.61 -0.00 0.00 2.01 0.00 0.00 34.83 34.25 1ckl s MET 10 CO 0.19 0.62 -0.23 -1.21 -0.01 0.00 0.00 175.02 174.38 1ckl s GLU 11 N -1.51 2.64 0.65 2.03 2.02 0.11 -3.67 118.70 120.97 1ckl s GLU 11 Ca 0.19 -0.82 -0.18 0.00 0.02 0.00 0.00 54.97 54.18 1ckl s GLU 11 Cb -0.11 -2.10 -0.01 0.00 0.10 0.00 0.00 34.13 32.01 1ckl s GLU 11 CO 0.09 0.24 1.28 -1.17 0.02 0.00 0.00 175.26 175.72 1ckl s LEU 12 N 0.16 3.55 -0.10 1.80 2.96 -1.26 -0.11 118.68 125.69 1ckl s LEU 12 Ca -0.12 2.58 -0.10 0.00 -0.22 0.00 0.00 54.13 56.27 1ckl s LEU 12 Cb -0.16 -4.61 -0.05 0.00 0.50 0.00 0.00 46.19 41.87 1ckl s LEU 12 CO 0.06 -2.01 0.23 -0.63 -1.32 0.00 0.00 176.35 172.68 1ckl s ILE 13 N -1.47 5.35 0.06 6.68 1.01 0.15 -4.74 121.20 128.24 1ckl s ILE 13 Ca 0.81 0.42 0.00 0.00 0.00 0.00 0.00 60.65 61.88 1ckl s ILE 13 Cb -0.36 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.59 1ckl s ILE 13 CO 0.40 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.52 1ckl n GLY 14 N 2.21 -2.60 3.78 6.18 0.00 -1.26 -4.74 105.19 108.76 1ckl n GLY 14 Ca -0.17 -1.42 -0.39 0.00 0.00 0.00 0.00 46.02 44.05 1ckl n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ckl s LYS 15 N -2.99 4.51 0.25 1.61 1.02 -1.26 -5.02 119.74 117.85 1ckl s LYS 15 Ca 0.00 1.11 -0.31 0.00 0.02 0.00 0.00 55.97 56.79 1ckl s LYS 15 Cb 0.00 -3.17 -0.14 0.00 -0.52 0.00 0.00 37.83 34.01 1ckl s LYS 15 CO 0.00 0.53 1.34 -2.30 -0.92 0.00 0.00 175.35 174.00 1ckl n PRO 16 N 1.38 1.89 -3.83 -1.68 -0.02 -1.26 -5.03 135.00 126.46 1ckl n PRO 16 Ca -0.05 0.67 -0.21 0.00 -2.02 0.00 0.00 63.50 61.90 1ckl n PRO 16 Cb 0.49 -2.28 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 1ckl n PRO 16 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1ckl s LYS 17 N -0.65 3.19 0.06 -0.52 1.02 -1.26 -5.04 119.74 116.54 1ckl s LYS 17 Ca 0.67 -0.94 -0.06 0.00 0.02 0.00 0.00 55.97 55.66 1ckl s LYS 17 Cb -0.67 -2.77 -0.29 0.00 -0.52 0.00 0.00 37.83 33.58 1ckl s LYS 17 CO 0.52 0.28 1.07 -1.00 -0.92 0.00 0.00 175.35 175.31 1ckl h PRO 18 N 1.15 0.30 -4.55 -1.68 0.13 -1.92 -3.37 132.00 122.05 1ckl h PRO 18 Ca -0.49 -0.52 -0.36 0.00 -0.87 0.00 0.00 66.00 63.76 1ckl h PRO 18 Cb 1.24 0.19 -0.28 0.00 0.13 0.00 0.00 31.00 32.28 1ckl h PRO 18 CO 0.58 1.23 -0.77 -0.47 -0.23 0.00 0.00 178.00 178.34 1ckl s TYR 19 N -2.64 0.67 -0.09 1.56 5.04 -1.26 -4.21 117.35 116.41 1ckl s TYR 19 Ca -0.05 -0.13 0.02 0.00 -2.44 0.00 0.00 57.07 54.46 1ckl s TYR 19 Cb 0.07 -0.43 0.01 0.00 0.35 0.00 0.00 41.96 41.96 1ckl s TYR 19 CO 0.89 -0.01 -0.15 0.71 -1.34 0.00 0.00 175.55 175.64 1ckl s TYR 20 N -0.20 1.88 0.56 4.97 2.02 0.13 -4.93 117.35 121.78 1ckl s TYR 20 Ca 0.03 -0.82 -0.17 0.00 -0.37 0.00 0.00 57.07 55.73 1ckl s TYR 20 Cb -0.03 -1.35 -0.05 0.00 -0.40 0.00 0.00 41.96 40.13 1ckl s TYR 20 CO -0.00 -0.41 1.06 -1.21 -1.57 0.00 0.00 175.55 173.42 1ckl s GLU 21 N 0.83 3.44 0.24 -0.62 2.02 -1.26 0.86 118.70 124.21 1ckl s GLU 21 Ca -0.10 1.30 -0.31 0.00 0.02 0.00 0.00 54.97 55.88 1ckl s GLU 21 Cb -0.15 -2.04 -0.12 0.00 0.10 0.00 0.00 34.13 31.91 1ckl s GLU 21 CO 0.01 -0.72 1.65 -0.89 0.02 0.00 0.00 175.26 175.33 1ckl n ILE 22 N -1.65 0.44 -0.29 -1.63 5.41 -1.26 -1.48 119.36 118.89 1ckl n ILE 22 Ca 0.09 -0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1ckl n ILE 22 Cb 0.52 -1.92 0.00 0.00 -0.71 0.00 0.00 39.64 37.54 1ckl n ILE 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ckl n GLY 23 N 3.15 0.66 3.75 7.39 0.00 0.19 -4.98 105.19 115.34 1ckl n GLY 23 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1ckl n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ckl s GLU 24 N -0.71 4.84 -0.12 1.61 2.02 -0.55 -4.79 118.70 121.01 1ckl s GLU 24 Ca 0.00 1.50 0.02 0.00 0.02 0.00 0.00 54.97 56.51 1ckl s GLU 24 Cb 0.00 -3.28 -0.01 0.00 0.10 0.00 0.00 34.13 30.94 1ckl s GLU 24 CO 0.00 0.49 -0.18 0.50 0.02 0.00 0.00 175.26 176.09 1ckl s ARG 25 N -1.14 3.21 -0.01 1.61 3.52 -1.26 -1.23 118.95 123.65 1ckl s ARG 25 Ca 0.41 -0.78 0.02 0.00 -0.13 0.00 0.00 55.73 55.26 1ckl s ARG 25 Cb -0.26 -2.48 -0.03 0.00 -1.56 0.00 0.00 34.95 30.62 1ckl s ARG 25 CO 0.32 0.18 -0.05 0.14 -0.81 0.00 0.00 175.30 175.08 1ckl s VAL 26 N 0.40 3.77 0.03 7.11 -7.23 -0.37 -4.96 120.40 119.14 1ckl s VAL 26 Ca -0.14 -0.67 0.09 0.00 -1.81 0.00 0.00 61.98 59.44 1ckl s VAL 26 Cb -0.17 -2.62 -0.03 0.00 0.56 0.00 0.00 36.38 34.12 1ckl s VAL 26 CO 0.07 0.44 -0.25 -1.81 -0.31 0.00 0.00 175.10 173.23 1ckl s ASP 27 N -1.31 3.00 0.51 4.85 1.11 -1.26 -1.07 116.67 122.50 1ckl s ASP 27 Ca 0.16 -0.54 0.04 0.00 0.18 0.00 0.00 52.55 52.39 1ckl s ASP 27 Cb -0.11 -0.28 0.00 0.00 1.07 0.00 0.00 42.92 43.60 1ckl s ASP 27 CO 0.07 0.26 0.22 -0.31 1.18 0.00 0.00 175.17 176.59 1ckl s TYR 28 N -0.75 1.88 0.05 4.23 1.51 -0.31 -0.67 117.35 123.30 1ckl s TYR 28 Ca 0.11 -0.84 -0.05 0.00 -1.01 0.00 0.00 57.07 55.28 1ckl s TYR 28 Cb -0.10 -1.82 -0.01 0.00 -0.11 0.00 0.00 41.96 39.92 1ckl s TYR 28 CO 0.01 -0.11 0.10 -1.59 -1.11 0.00 0.00 175.55 172.84 1ckl s LYS 29 N -4.07 0.67 0.23 -0.62 -2.85 0.85 -4.81 119.74 109.13 1ckl s LYS 29 Ca 0.25 -0.91 -0.30 0.00 -1.00 0.00 0.00 55.97 54.01 1ckl s LYS 29 Cb 0.00 0.26 -0.09 0.00 -2.06 0.00 0.00 37.83 35.94 1ckl s LYS 29 CO 0.15 -0.17 1.15 0.00 0.10 0.00 0.00 175.35 176.58 1ckl s LYS 31 N -0.82 1.68 0.08 0.00 1.02 0.14 -4.78 119.74 117.06 1ckl s LYS 31 Ca 0.49 1.04 -0.03 0.00 0.02 0.00 0.00 55.97 57.49 1ckl s LYS 31 Cb -0.32 -1.84 0.12 0.00 -0.52 0.00 0.00 37.83 35.26 1ckl s LYS 31 CO 0.39 -2.01 0.47 1.17 -0.92 0.00 0.00 175.35 174.46 1ckl n LYS 32 N -3.75 -0.04 0.00 1.68 3.00 -1.26 -0.67 118.16 117.11 1ckl n LYS 32 Ca 0.08 0.47 0.13 0.00 -0.00 0.00 0.00 58.31 58.99 1ckl n LYS 32 Cb 0.54 -0.70 0.40 0.00 0.00 0.00 0.00 35.03 35.26 1ckl n LYS 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ckl n GLY 33 N -1.18 -0.86 3.94 3.14 0.00 -1.26 -4.97 105.19 104.00 1ckl n GLY 33 Ca 0.04 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 1ckl n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ckl s TYR 34 N -2.64 3.11 -0.06 1.61 1.51 0.15 -4.22 117.35 116.81 1ckl s TYR 34 Ca 0.21 0.35 0.02 0.00 -1.01 0.00 0.00 57.07 56.64 1ckl s TYR 34 Cb 0.19 -2.68 0.02 0.00 -0.11 0.00 0.00 41.96 39.37 1ckl s TYR 34 CO 0.56 -0.79 -0.09 -0.06 -1.11 0.00 0.00 175.55 174.06 1ckl s PHE 35 N -2.85 1.20 0.18 2.71 0.08 0.21 -4.81 117.98 114.71 1ckl s PHE 35 Ca 0.54 -0.43 -0.28 0.00 0.12 0.00 0.00 56.93 56.88 1ckl s PHE 35 Cb -0.10 -0.94 -0.08 0.00 -0.57 0.00 0.00 43.02 41.33 1ckl s PHE 35 CO 0.41 -0.26 0.87 -0.47 -0.10 0.00 0.00 175.22 175.67 1ckl s TYR 36 N 0.84 3.92 -0.20 0.36 5.04 -1.26 0.11 117.35 126.16 1ckl s TYR 36 Ca -0.12 1.76 0.01 0.00 -2.44 0.00 0.00 57.07 56.29 1ckl s TYR 36 Cb -0.15 -2.89 0.04 0.00 0.35 0.00 0.00 41.96 39.31 1ckl s TYR 36 CO 0.02 0.44 -0.12 0.42 -1.34 0.00 0.00 175.55 174.97 1ckl s ILE 37 N -0.96 1.73 0.90 3.14 -1.09 -0.97 -4.91 121.20 119.04 1ckl s ILE 37 Ca 0.39 -1.03 -0.14 0.00 -2.23 0.00 0.00 60.65 57.65 1ckl s ILE 37 Cb -0.24 -1.77 0.01 0.00 -1.58 0.00 0.00 42.46 38.88 1ckl s ILE 37 CO 0.29 0.22 0.36 -2.65 -1.23 0.00 0.00 174.94 171.93 1ckl n PRO 38 N 4.66 -0.14 -0.04 2.79 -0.02 -1.26 -4.41 135.00 136.58 1ckl n PRO 38 Ca -0.16 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.15 1ckl n PRO 38 Cb 0.47 -1.80 -0.14 0.00 -0.02 0.00 0.00 33.50 32.01 1ckl n PRO 38 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1ckl n PRO 39 N -1.22 0.71 -0.25 0.52 -0.04 -1.26 -5.16 135.00 128.29 1ckl n PRO 39 Ca 0.07 0.22 -0.08 0.00 -0.04 0.00 0.00 63.50 63.67 1ckl n PRO 39 Cb 0.53 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 1ckl n PRO 39 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ckl n LEU 40 N -3.29 -0.70 -4.79 1.53 4.77 -1.26 -4.95 117.00 108.30 1ckl n LEU 40 Ca -0.33 0.14 -0.33 0.00 -0.03 0.00 0.00 56.01 55.46 1ckl n LEU 40 Cb 1.04 -0.17 0.02 0.00 -2.33 0.00 0.00 43.42 41.98 1ckl n LEU 40 CO 0.39 -0.94 0.73 0.00 -1.33 0.00 0.00 177.39 176.24 1ckl s ALA 41 N -0.39 2.65 0.00 -1.18 0.00 -1.26 -4.98 121.76 116.60 1ckl s ALA 41 Ca 0.12 0.47 0.20 0.00 0.00 0.00 0.00 51.96 52.74 1ckl s ALA 41 Cb -0.11 -3.27 0.32 0.00 0.00 0.00 0.00 23.12 20.07 1ckl s ALA 41 CO 0.13 -0.95 1.12 0.25 0.00 0.00 0.00 175.76 176.31 1ckl n THR 42 N -2.10 0.00 -4.20 0.00 -2.24 -1.26 -4.50 114.28 99.98 1ckl n THR 42 Ca 0.09 -0.75 -0.17 0.00 -2.27 0.00 0.00 64.05 60.95 1ckl n THR 42 Cb 0.52 0.87 -0.06 0.00 -2.10 0.00 0.00 70.33 69.56 1ckl n THR 42 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1ckl s HIS 43 N 0.00 1.46 0.19 4.78 -3.43 -1.26 -1.16 115.29 115.88 1ckl s HIS 43 Ca 0.26 -1.51 -0.20 0.00 -0.80 0.00 0.00 55.06 52.80 1ckl s HIS 43 Cb 0.29 -0.44 0.04 0.00 -1.43 0.00 0.00 32.58 31.04 1ckl s HIS 43 CO -0.13 -0.99 0.59 0.99 -2.00 0.00 0.00 174.74 173.20 1ckl s THR 44 N -3.26 0.01 0.09 -5.38 2.01 -0.23 -4.84 115.64 104.04 1ckl s THR 44 Ca 0.36 -0.49 0.06 0.00 0.31 0.00 0.00 61.69 61.94 1ckl s THR 44 Cb 0.01 -1.40 -0.03 0.00 0.01 0.00 0.00 72.50 71.09 1ckl s THR 44 CO 0.25 -0.06 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.33 1ckl s ILE 45 N -3.83 1.33 -0.64 1.82 1.01 -1.26 -1.24 121.20 118.40 1ckl s ILE 45 Ca 0.06 -1.45 -0.22 0.00 0.00 0.00 0.00 60.65 59.03 1ckl s ILE 45 Cb -0.02 -1.30 0.07 0.00 0.01 0.00 0.00 42.46 41.22 1ckl s ILE 45 CO -0.06 -0.21 0.92 0.00 0.00 0.00 0.00 174.94 175.59 1ckl n ASP 47 N 7.50 -1.10 0.00 0.00 5.75 -0.74 0.52 116.55 128.47 1ckl n ASP 47 Ca -0.04 -0.71 0.14 0.00 -0.01 0.00 0.00 54.79 54.18 1ckl n ASP 47 Cb 0.45 -0.23 0.85 0.00 -1.03 0.00 0.00 41.12 41.16 1ckl n ASP 47 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1ckl n ARG 48 N -2.20 0.88 -0.42 0.11 0.00 -1.26 -2.84 116.66 110.92 1ckl n ARG 48 Ca 0.04 0.00 0.08 0.00 -0.00 0.00 0.00 57.85 57.97 1ckl n ARG 48 Cb 0.14 -1.50 0.25 0.00 -0.00 0.00 0.00 32.46 31.35 1ckl n ARG 48 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1ckl n ASN 49 N -1.01 3.81 -3.25 2.89 5.15 -1.26 -4.96 115.26 116.63 1ckl n ASN 49 Ca 0.21 -2.92 -0.21 0.00 -0.60 0.00 0.00 54.58 51.06 1ckl n ASN 49 Cb 0.10 -0.52 -0.01 0.00 -0.53 0.00 0.00 39.78 38.83 1ckl n ASN 49 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1ckl n HIS 50 N -0.40 -1.73 -4.49 1.20 8.25 -1.13 -4.97 115.22 111.95 1ckl n HIS 50 Ca 0.20 0.39 -0.24 0.00 -0.26 0.00 0.00 57.72 57.82 1ckl n HIS 50 Cb 0.85 -2.72 -0.10 0.00 1.12 0.00 0.00 29.99 29.14 1ckl n HIS 50 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1ckl s THR 51 N -2.84 2.04 0.21 1.59 -4.23 -1.26 -4.34 115.64 106.81 1ckl s THR 51 Ca 0.34 -2.20 -0.08 0.00 -1.18 0.00 0.00 61.69 58.57 1ckl s THR 51 Cb -0.18 -2.52 -0.07 0.00 1.34 0.00 0.00 72.50 71.07 1ckl s THR 51 CO 0.42 -0.27 0.51 0.26 -0.54 0.00 0.00 174.62 175.01 1ckl s TRP 52 N -2.75 3.44 0.42 3.99 0.52 -1.26 -1.80 118.94 121.49 1ckl s TRP 52 Ca 0.31 0.80 -0.24 0.00 0.02 0.00 0.00 56.10 56.99 1ckl s TRP 52 Cb 0.02 -2.20 -0.08 0.00 -1.15 0.00 0.00 33.47 30.06 1ckl s TRP 52 CO 0.14 0.30 1.12 -0.51 0.02 0.00 0.00 176.95 178.02 1ckl s LEU 53 N -2.82 4.11 0.59 2.99 1.43 -0.58 -4.91 118.68 119.49 1ckl s LEU 53 Ca 0.46 2.21 -0.19 0.00 -1.03 0.00 0.00 54.13 55.58 1ckl s LEU 53 Cb -0.11 -4.16 -0.05 0.00 0.03 0.00 0.00 46.19 41.90 1ckl s LEU 53 CO 0.22 -0.69 1.08 -2.65 0.23 0.00 0.00 176.35 174.54 1ckl n PRO 54 N -0.18 1.07 -3.56 1.29 -0.02 -1.26 -4.74 135.00 127.60 1ckl n PRO 54 Ca 0.06 0.41 -0.10 0.00 -2.02 0.00 0.00 63.50 61.84 1ckl n PRO 54 Cb 0.48 -2.28 -0.02 0.00 -0.02 0.00 0.00 33.50 31.66 1ckl n PRO 54 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ckl s VAL 55 N -1.44 0.00 0.03 -1.45 0.11 -1.26 -4.99 120.40 111.40 1ckl s VAL 55 Ca 0.76 -0.31 0.00 0.00 -2.93 0.00 0.00 61.98 59.50 1ckl s VAL 55 Cb -0.42 -1.31 -0.03 0.00 -1.53 0.00 0.00 36.38 33.10 1ckl s VAL 55 CO 0.47 0.00 -0.04 -0.44 -3.33 0.00 0.00 175.10 171.76 1ckl s SER 56 N -2.80 0.39 0.31 3.54 0.01 -1.26 -5.00 113.70 108.90 1ckl s SER 56 Ca 0.04 -0.63 0.16 0.00 1.31 0.00 0.00 55.95 56.83 1ckl s SER 56 Cb -0.03 0.11 0.37 0.00 0.21 0.00 0.00 66.02 66.69 1ckl s SER 56 CO -0.07 -0.36 1.58 -2.24 0.41 0.00 0.00 173.24 172.57 1ckl h ASP 57 N 4.25 0.00 0.00 2.44 2.03 -1.97 -3.38 116.42 119.80 1ckl h ASP 57 Ca -0.33 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.97 1ckl h ASP 57 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 1ckl h ASP 57 CO 0.47 0.48 0.00 0.47 -1.03 0.00 0.00 179.24 179.64 1ckl n ASP 58 N -3.41 0.00 0.00 4.15 8.00 -1.26 -0.62 116.55 123.41 1ckl n ASP 58 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1ckl n ASP 58 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 1ckl n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ckl n ALA 59 N 0.36 1.65 -2.52 2.24 0.00 -1.26 -4.96 120.51 116.01 1ckl n ALA 59 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1ckl n ALA 59 Cb 0.00 0.16 -0.02 0.00 0.00 0.00 0.00 19.45 19.59 1ckl n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ckl s TYR 61 N 4.18 3.54 0.09 0.00 1.51 0.30 -4.85 117.35 122.12 1ckl s TYR 61 Ca 0.51 0.72 -0.11 0.00 -1.01 0.00 0.00 57.07 57.18 1ckl s TYR 61 Cb -0.13 -2.32 -0.06 0.00 -0.11 0.00 0.00 41.96 39.34 1ckl s TYR 61 CO 0.22 0.37 0.44 -0.98 -1.11 0.00 0.00 175.55 174.50 1ckl s ARG 62 N -0.02 3.83 0.67 -0.62 1.70 -1.26 0.68 118.95 123.93 1ckl s ARG 62 Ca 0.19 0.28 -0.13 0.00 -0.47 0.00 0.00 55.73 55.60 1ckl s ARG 62 Cb -0.14 -2.99 -0.11 0.00 -0.57 0.00 0.00 34.95 31.13 1ckl s ARG 62 CO 0.07 0.55 -0.49 0.39 -1.08 0.00 0.00 175.30 174.73 1ckl n GLU 63 N 0.94 0.00 -4.33 3.89 1.02 -1.26 -4.45 120.64 116.45 1ckl n GLU 63 Ca -0.08 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.83 1ckl n GLU 63 Cb 0.52 -0.77 -0.13 0.00 -0.02 0.00 0.00 31.44 31.05 1ckl n GLU 63 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1ckl s THR 64 N -1.53 1.59 0.14 2.62 -4.23 -1.26 -1.31 115.64 111.65 1ckl s THR 64 Ca 0.34 -1.43 -0.11 0.00 -1.18 0.00 0.00 61.69 59.31 1ckl s THR 64 Cb -0.20 -1.44 -0.06 0.00 1.34 0.00 0.00 72.50 72.14 1ckl s THR 64 CO 0.60 -0.04 0.48 0.00 -0.54 0.00 0.00 174.62 175.12 1ckl n PRO 66 N 0.61 1.03 -3.73 0.00 -0.02 -1.26 -4.85 135.00 126.78 1ckl n PRO 66 Ca -0.05 -0.16 -0.35 0.00 -2.02 0.00 0.00 63.50 60.92 1ckl n PRO 66 Cb 0.52 -0.75 -0.05 0.00 -0.02 0.00 0.00 33.50 33.20 1ckl n PRO 66 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1ckl s TYR 67 N -1.37 3.59 -0.35 6.00 5.04 -1.26 -5.00 117.35 124.00 1ckl s TYR 67 Ca 0.07 0.62 0.03 0.00 -2.44 0.00 0.00 57.07 55.35 1ckl s TYR 67 Cb -0.01 -2.02 0.10 0.00 0.35 0.00 0.00 41.96 40.37 1ckl s TYR 67 CO 0.06 0.60 0.08 0.42 -1.34 0.00 0.00 175.55 175.37 1ckl s ILE 68 N -1.30 2.49 -0.11 3.14 1.01 -1.26 -5.09 121.20 120.09 1ckl s ILE 68 Ca 0.28 -2.27 -0.32 0.00 0.00 0.00 0.00 60.65 58.34 1ckl s ILE 68 Cb -0.13 -2.80 -0.09 0.00 0.01 0.00 0.00 42.46 39.44 1ckl s ILE 68 CO 0.16 -0.61 2.02 -2.11 0.00 0.00 0.00 174.94 174.40 1ckl n ARG 69 N 4.33 2.24 -1.63 2.79 0.00 -1.26 -4.75 116.66 118.38 1ckl n ARG 69 Ca 0.02 0.77 -0.66 0.00 -0.00 0.00 0.00 57.85 57.98 1ckl n ARG 69 Cb 0.42 -2.88 -0.10 0.00 -0.00 0.00 0.00 32.46 29.89 1ckl n ARG 69 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1ckl n ASP 70 N 8.44 1.12 -4.58 2.89 8.00 -1.26 -4.70 116.55 126.45 1ckl n ASP 70 Ca 0.25 1.06 -0.40 0.00 0.71 0.00 0.00 54.79 56.42 1ckl n ASP 70 Cb 0.36 -0.89 -0.03 0.00 -0.02 0.00 0.00 41.12 40.54 1ckl n ASP 70 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1ckl s PRO 71 N 3.74 2.67 0.00 -0.24 0.05 -1.23 -4.69 135.00 135.30 1ckl s PRO 71 Ca 1.09 1.75 0.00 0.00 0.05 0.00 0.00 61.00 63.88 1ckl s PRO 71 Cb -1.49 -4.47 0.00 0.00 0.05 0.00 0.00 34.50 28.59 1ckl s PRO 71 CO 0.78 -2.63 0.00 1.28 0.05 0.00 0.00 177.00 176.48 1ckl n LEU 72 N 13.55 0.00 -0.13 -3.56 4.77 -1.26 -2.10 117.00 128.26 1ckl n LEU 72 Ca 0.33 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1ckl n LEU 72 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1ckl n LEU 72 CO 0.68 0.00 0.00 0.59 -1.33 0.00 0.00 177.39 177.33 1ckl n ASN 73 N 0.00 -0.67 -3.64 -1.43 3.02 -1.26 -4.76 115.26 106.51 1ckl n ASN 73 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.51 1ckl n ASN 73 Cb 0.00 -0.20 -0.06 0.00 -0.61 0.00 0.00 39.78 38.90 1ckl n ASN 73 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1ckl s GLY 74 N -2.41 0.22 -0.07 7.41 0.00 -0.89 -4.02 107.32 107.56 1ckl s GLY 74 Ca 0.00 3.24 -0.11 0.00 0.00 0.00 0.00 44.72 47.85 1ckl s GLY 74 CO 0.00 1.76 0.27 1.20 0.00 0.00 0.00 173.10 176.33 1ckl s GLN 75 N -0.15 3.68 -0.93 2.90 -1.52 -1.26 -3.52 119.66 118.87 1ckl s GLN 75 Ca 0.07 0.12 -0.07 0.00 -1.95 0.00 0.00 55.36 53.53 1ckl s GLN 75 Cb -0.04 -3.21 -0.05 0.00 -0.22 0.00 0.00 33.01 29.49 1ckl s GLN 75 CO -0.12 0.72 2.94 0.00 -0.25 0.00 0.00 175.29 178.58 1ckl n ALA 76 N 1.96 6.88 -1.85 6.09 0.00 -1.26 -4.54 120.51 127.79 1ckl n ALA 76 Ca -0.17 -3.17 -0.42 0.00 0.00 0.00 0.00 53.44 49.68 1ckl n ALA 76 Cb 0.54 -2.73 -0.03 0.00 0.00 0.00 0.00 19.45 17.23 1ckl n ALA 76 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ckl s VAL 77 N 0.17 3.11 0.16 0.00 1.01 -1.25 -4.85 120.40 118.75 1ckl s VAL 77 Ca 0.63 0.36 -0.19 0.00 0.00 0.00 0.00 61.98 62.78 1ckl s VAL 77 Cb 0.25 -3.23 -0.08 0.00 0.00 0.00 0.00 36.38 33.33 1ckl s VAL 77 CO -0.09 -0.02 0.65 -2.84 0.00 0.00 0.00 175.10 172.81 1ckl s PRO 78 N 3.55 4.22 0.04 2.72 0.02 -1.26 -3.38 135.00 140.91 1ckl s PRO 78 Ca 0.79 0.79 0.07 0.00 0.02 0.00 0.00 61.00 62.66 1ckl s PRO 78 Cb -0.40 -3.03 -0.03 0.00 0.02 0.00 0.00 34.50 31.06 1ckl s PRO 78 CO 0.35 0.50 -0.17 0.00 -0.33 0.00 0.00 177.00 177.35 1ckl s ALA 79 N -1.36 2.66 -0.59 -1.55 0.00 -1.24 -3.95 121.76 115.72 1ckl s ALA 79 Ca 0.37 -1.19 -0.03 0.00 0.00 0.00 0.00 51.96 51.11 1ckl s ALA 79 Cb -0.18 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.17 1ckl s ALA 79 CO 0.21 0.58 0.52 0.09 0.00 0.00 0.00 175.76 177.15 1ckl n ASN 80 N 1.48 -3.69 -2.29 0.00 5.03 -1.26 -4.10 115.26 110.42 1ckl n ASN 80 Ca -0.16 -0.24 -0.08 0.00 0.87 0.00 0.00 54.58 54.97 1ckl n ASN 80 Cb 0.52 -2.52 -0.08 0.00 -1.02 0.00 0.00 39.78 36.68 1ckl n ASN 80 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ckl n GLY 81 N -1.16 -0.18 0.00 7.41 0.00 -1.25 -4.74 105.19 105.26 1ckl n GLY 81 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1ckl n GLY 81 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ckl n THR 82 N 2.74 0.00 -0.29 2.61 5.66 -1.26 -5.03 114.28 118.71 1ckl n THR 82 Ca 0.25 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.30 1ckl n THR 82 Cb 0.13 0.00 0.28 0.00 -1.55 0.00 0.00 70.33 69.19 1ckl n THR 82 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1ckl n TYR 83 N -0.23 1.42 -2.05 1.09 4.02 -1.26 -4.83 117.16 115.32 1ckl n TYR 83 Ca 0.00 -0.49 -0.28 0.00 -0.01 0.00 0.00 57.90 57.12 1ckl n TYR 83 Cb 0.00 -0.38 0.08 0.00 -0.02 0.00 0.00 39.34 39.02 1ckl n TYR 83 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1ckl s GLU 84 N -2.19 2.12 0.85 -0.72 2.02 -1.26 -1.87 118.70 117.65 1ckl s GLU 84 Ca 0.37 -0.05 -0.12 0.00 0.02 0.00 0.00 54.97 55.20 1ckl s GLU 84 Cb 0.28 -2.06 0.10 0.00 0.10 0.00 0.00 34.13 32.56 1ckl s GLU 84 CO 0.11 -1.40 1.10 -0.59 0.02 0.00 0.00 175.26 174.51 1ckl s PHE 85 N -3.41 2.58 0.00 1.61 -0.12 -0.42 -4.09 117.98 114.13 1ckl s PHE 85 Ca 0.61 1.16 0.00 0.00 -0.05 0.00 0.00 56.93 58.65 1ckl s PHE 85 Cb -0.11 -3.16 0.00 0.00 -0.63 0.00 0.00 43.02 39.12 1ckl s PHE 85 CO 0.47 -2.10 0.00 0.41 -0.05 0.00 0.00 175.22 173.95 1ckl n GLY 86 N -1.70 0.77 0.00 1.99 0.00 0.11 -4.91 105.19 101.46 1ckl n GLY 86 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1ckl n GLY 86 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ckl n TYR 87 N -2.38 0.00 -4.19 1.61 4.01 -0.77 -4.98 117.16 110.46 1ckl n TYR 87 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.61 1ckl n TYR 87 Cb 0.00 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 38.93 1ckl n TYR 87 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 1ckl s GLN 88 N -0.22 0.90 -0.14 -0.72 -2.07 -1.26 -0.15 119.66 116.00 1ckl s GLN 88 Ca 0.00 -1.29 0.03 0.00 -1.82 0.00 0.00 55.36 52.28 1ckl s GLN 88 Cb 0.00 -0.45 0.01 0.00 -1.09 0.00 0.00 33.01 31.48 1ckl s GLN 88 CO 0.00 0.05 -0.22 1.41 -1.32 0.00 0.00 175.29 175.21 1ckl s MET 89 N -3.37 3.02 0.01 9.60 -2.45 0.21 -3.69 119.30 122.63 1ckl s MET 89 Ca 0.10 -0.86 0.08 0.00 -1.25 0.00 0.00 55.69 53.76 1ckl s MET 89 Cb 0.01 -2.42 -0.02 0.00 1.25 0.00 0.00 34.83 33.65 1ckl s MET 89 CO -0.01 0.00 -0.23 -3.38 1.05 0.00 0.00 175.02 172.45 1ckl s HIS 90 N 0.77 2.05 -1.01 4.11 -3.43 -1.22 0.18 115.29 116.74 1ckl s HIS 90 Ca -0.08 -0.39 -0.06 0.00 -0.80 0.00 0.00 55.06 53.73 1ckl s HIS 90 Cb -0.16 -1.27 0.25 0.00 -1.43 0.00 0.00 32.58 29.97 1ckl s HIS 90 CO -0.01 0.03 0.97 -0.06 -2.00 0.00 0.00 174.74 173.67 1ckl s PHE 91 N -0.66 4.11 -0.51 0.38 0.40 0.24 -3.93 117.98 118.00 1ckl s PHE 91 Ca 0.09 -2.80 -0.28 0.00 -0.60 0.00 0.00 56.93 53.34 1ckl s PHE 91 Cb -0.09 -3.60 0.02 0.00 0.51 0.00 0.00 43.02 39.85 1ckl s PHE 91 CO 0.00 -0.87 1.33 0.42 0.70 0.00 0.00 175.22 176.81 1ckl s ILE 92 N -1.23 3.92 0.59 0.64 1.01 -1.26 -4.71 121.20 120.16 1ckl s ILE 92 Ca 0.29 0.87 -0.08 0.00 0.00 0.00 0.00 60.65 61.73 1ckl s ILE 92 Cb -0.09 -4.44 -0.01 0.00 0.01 0.00 0.00 42.46 37.92 1ckl s ILE 92 CO -0.10 -1.05 0.93 0.00 0.00 0.00 0.00 174.94 174.72 1ckl s ASN 94 N -4.24 6.40 -0.10 0.00 0.02 -1.25 -4.69 114.94 111.07 1ckl s ASN 94 Ca 0.53 2.81 -0.01 0.00 -1.02 0.00 0.00 52.86 55.17 1ckl s ASN 94 Cb -0.11 -2.58 -0.03 0.00 0.02 0.00 0.00 41.25 38.55 1ckl s ASN 94 CO 0.48 -1.00 0.36 1.21 0.02 0.00 0.00 177.10 178.17 1ckl n GLU 95 N 5.11 0.00 0.00 -0.60 4.07 -1.26 -0.52 120.64 127.44 1ckl n GLU 95 Ca 0.17 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.27 1ckl n GLU 95 Cb 0.37 -0.24 0.00 0.00 -0.06 0.00 0.00 31.44 31.51 1ckl n GLU 95 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ckl n GLY 96 N 1.20 1.78 3.44 8.31 0.00 -1.26 -5.10 105.19 113.56 1ckl n GLY 96 Ca 0.07 -0.43 -0.49 0.00 0.00 0.00 0.00 46.02 45.17 1ckl n GLY 96 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ckl n TYR 97 N 0.00 1.37 -3.29 1.61 4.02 0.32 -4.92 117.16 116.27 1ckl n TYR 97 Ca 0.00 0.34 -0.20 0.00 -0.01 0.00 0.00 57.90 58.03 1ckl n TYR 97 Cb 0.00 -2.49 -0.00 0.00 -0.02 0.00 0.00 39.34 36.83 1ckl n TYR 97 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1ckl s TYR 98 N 8.00 2.49 0.06 -0.72 1.51 -1.26 -3.96 117.35 123.47 1ckl s TYR 98 Ca 1.13 -0.51 -0.11 0.00 -1.01 0.00 0.00 57.07 56.57 1ckl s TYR 98 Cb -0.92 -2.24 -0.06 0.00 -0.11 0.00 0.00 41.96 38.63 1ckl s TYR 98 CO 0.48 -0.41 0.41 -0.51 -1.11 0.00 0.00 175.55 174.42 1ckl s LEU 99 N -4.30 4.38 -0.80 -1.29 1.43 -1.26 -3.34 118.68 113.51 1ckl s LEU 99 Ca 0.52 0.86 0.02 0.00 -1.03 0.00 0.00 54.13 54.49 1ckl s LEU 99 Cb -0.06 -2.87 0.22 0.00 0.03 0.00 0.00 46.19 43.51 1ckl s LEU 99 CO 0.31 0.21 0.76 -0.38 0.23 0.00 0.00 176.35 177.48 1ckl n ILE 100 N 1.17 2.67 -3.49 -0.59 5.41 -0.67 -4.92 119.36 118.94 1ckl n ILE 100 Ca -0.10 -5.15 0.00 0.00 1.00 0.00 0.00 62.75 58.50 1ckl n ILE 100 Cb 0.52 -2.23 0.00 0.00 -0.71 0.00 0.00 39.64 37.23 1ckl n ILE 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ckl n GLY 101 N 1.74 -0.48 3.24 7.39 0.00 -1.26 -0.87 105.19 114.95 1ckl n GLY 101 Ca 0.24 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 1ckl n GLY 101 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ckl s GLU 102 N -2.00 1.92 0.46 1.61 8.01 -1.26 -4.88 118.70 122.55 1ckl s GLU 102 Ca 0.00 -0.80 0.31 0.00 0.01 0.00 0.00 54.97 54.50 1ckl s GLU 102 Cb 0.00 -1.79 1.42 0.00 -4.31 0.00 0.00 34.13 29.44 1ckl s GLU 102 CO 0.00 0.44 1.67 1.49 0.01 0.00 0.00 175.26 178.87 1ckl h GLU 103 N 5.73 0.12 -3.87 1.61 4.81 -1.95 -3.41 114.58 117.61 1ckl h GLU 103 Ca -0.38 -0.01 -0.41 0.00 -0.13 0.00 0.00 59.36 58.43 1ckl h GLU 103 Cb 1.14 -0.03 -0.35 0.00 0.63 0.00 0.00 28.75 30.14 1ckl h GLU 103 CO 0.47 0.08 -0.77 0.42 -0.73 0.00 0.00 179.01 178.49 1ckl s ILE 104 N -5.24 0.43 -0.36 2.32 1.01 -1.26 0.80 121.20 118.90 1ckl s ILE 104 Ca -0.07 -0.01 -0.10 0.00 0.00 0.00 0.00 60.65 60.47 1ckl s ILE 104 Cb 0.28 -0.51 0.02 0.00 0.01 0.00 0.00 42.46 42.26 1ckl s ILE 104 CO 0.82 0.22 0.19 -0.76 0.00 0.00 0.00 174.94 175.42 1ckl s LEU 105 N 1.29 4.58 -0.15 2.97 1.43 0.48 -4.88 118.68 124.40 1ckl s LEU 105 Ca -0.05 -0.92 -0.23 0.00 -1.03 0.00 0.00 54.13 51.89 1ckl s LEU 105 Cb -0.13 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 1ckl s LEU 105 CO -0.02 -0.35 0.73 -0.31 0.23 0.00 0.00 176.35 176.64 1ckl s TYR 106 N 1.55 3.44 -0.24 0.29 1.51 -1.26 0.64 117.35 123.29 1ckl s TYR 106 Ca 0.02 1.15 -0.16 0.00 -1.01 0.00 0.00 57.07 57.07 1ckl s TYR 106 Cb -0.19 -2.89 -0.03 0.00 -0.11 0.00 0.00 41.96 38.73 1ckl s TYR 106 CO 0.06 -0.14 0.42 0.00 -1.11 0.00 0.00 175.55 174.79 1ckl n GLU 108 N 5.07 0.86 -1.71 0.00 0.00 -0.28 0.10 120.64 124.69 1ckl n GLU 108 Ca -0.07 -2.43 -0.43 0.00 0.00 0.00 0.00 57.16 54.24 1ckl n GLU 108 Cb 0.51 2.62 -0.03 0.00 0.00 0.00 0.00 31.44 34.53 1ckl n GLU 108 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1ckl s LEU 109 N 0.00 3.93 -0.23 4.31 2.01 -1.26 -2.23 118.68 125.22 1ckl s LEU 109 Ca 0.22 2.18 -0.01 0.00 0.01 0.00 0.00 54.13 56.53 1ckl s LEU 109 Cb -0.03 -3.52 0.07 0.00 0.01 0.00 0.00 46.19 42.72 1ckl s LEU 109 CO 0.16 -1.47 0.01 -0.54 1.01 0.00 0.00 176.35 175.51 1ckl s LYS 110 N 5.30 1.07 5.23 1.70 -0.14 -0.70 -4.95 119.74 127.26 1ckl s LYS 110 Ca 0.91 -0.76 0.00 0.00 -1.36 0.00 0.00 55.97 54.76 1ckl s LYS 110 Cb -0.36 -2.32 0.00 0.00 -1.68 0.00 0.00 37.83 33.47 1ckl s LYS 110 CO 0.37 -0.67 0.00 0.41 -0.76 0.00 0.00 175.35 174.70 1ckl n GLY 111 N 4.86 1.15 0.25 -3.33 0.00 -1.26 -2.36 105.19 104.49 1ckl n GLY 111 Ca -0.09 0.32 -0.04 0.00 0.00 0.00 0.00 46.02 46.20 1ckl n GLY 111 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ckl n SER 112 N 10.03 2.71 -2.52 1.61 7.64 -1.26 -5.02 113.62 126.82 1ckl n SER 112 Ca 0.00 -0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 1ckl n SER 112 Cb 0.00 -0.10 0.04 0.00 -1.01 0.00 0.00 64.21 63.14 1ckl n SER 112 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1ckl n VAL 113 N -2.82 0.00 -3.81 0.44 3.14 -1.00 -5.02 118.33 109.27 1ckl n VAL 113 Ca -0.10 -0.12 -0.14 0.00 -2.96 0.00 0.00 64.34 61.03 1ckl n VAL 113 Cb 0.59 -1.44 -0.15 0.00 -1.06 0.00 0.00 33.84 31.78 1ckl n VAL 113 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ckl s ALA 114 N -3.46 -0.02 0.19 1.55 0.00 -1.26 -1.71 121.76 117.04 1ckl s ALA 114 Ca 0.13 0.24 0.10 0.00 0.00 0.00 0.00 51.96 52.43 1ckl s ALA 114 Cb -0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 1ckl s ALA 114 CO 0.09 -0.07 -0.21 0.42 0.00 0.00 0.00 175.76 175.99 1ckl s ILE 115 N 0.61 2.15 0.63 0.00 1.01 -0.95 -3.54 121.20 121.10 1ckl s ILE 115 Ca -0.05 -2.01 -0.11 0.00 0.00 0.00 0.00 60.65 58.49 1ckl s ILE 115 Cb -0.07 -2.02 0.15 0.00 0.01 0.00 0.00 42.46 40.53 1ckl s ILE 115 CO -0.02 -0.21 0.61 0.79 0.00 0.00 0.00 174.94 176.11 1ckl n TRP 116 N 0.22 -3.59 -2.78 3.97 7.02 -1.26 -1.12 117.44 119.91 1ckl n TRP 116 Ca -0.12 -0.55 -0.44 0.00 -1.02 0.00 0.00 57.50 55.37 1ckl n TRP 116 Cb 0.57 -0.59 0.00 0.00 -2.42 0.00 0.00 31.31 28.86 1ckl n TRP 116 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1ckl n SER 117 N -3.88 5.10 0.00 -0.99 3.41 0.52 -4.77 113.62 113.01 1ckl n SER 117 Ca 0.08 -2.96 0.00 0.00 -0.26 0.00 0.00 58.87 55.73 1ckl n SER 117 Cb 0.31 -1.63 0.00 0.00 -0.26 0.00 0.00 64.21 62.64 1ckl n SER 117 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ckl n GLY 118 N 4.44 1.19 3.22 5.00 0.00 -1.26 -4.64 105.19 113.14 1ckl n GLY 118 Ca 0.41 -1.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.23 1ckl n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ckl s LYS 119 N 0.00 0.94 0.43 1.61 0.00 -1.26 -5.15 119.74 116.30 1ckl s LYS 119 Ca 0.00 -1.07 -0.17 0.00 0.00 0.00 0.00 55.97 54.73 1ckl s LYS 119 Cb 0.00 -0.98 -0.09 0.00 0.00 0.00 0.00 37.83 36.76 1ckl s LYS 119 CO 0.00 0.21 0.88 -1.25 0.00 0.00 0.00 175.35 175.20 1ckl s PRO 120 N -2.00 4.02 0.53 1.78 0.04 -1.26 -4.70 135.00 133.40 1ckl s PRO 120 Ca 0.03 0.86 -0.19 0.00 0.04 0.00 0.00 61.00 61.74 1ckl s PRO 120 Cb -0.09 -2.26 -0.07 0.00 0.04 0.00 0.00 34.50 32.13 1ckl s PRO 120 CO 0.03 -0.06 1.08 -1.25 0.04 0.00 0.00 177.00 176.83 1ckl s PRO 121 N -3.52 3.54 -0.11 0.56 0.04 -1.26 -4.84 135.00 129.41 1ckl s PRO 121 Ca 0.58 1.43 -0.11 0.00 0.04 0.00 0.00 61.00 62.94 1ckl s PRO 121 Cb -0.10 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 1ckl s PRO 121 CO 0.22 -0.66 0.25 0.42 0.04 0.00 0.00 177.00 177.28 1ckl s ILE 122 N -1.98 5.31 -0.69 0.56 1.01 -0.04 -4.83 121.20 120.54 1ckl s ILE 122 Ca 0.69 0.47 -0.05 0.00 0.00 0.00 0.00 60.65 61.76 1ckl s ILE 122 Cb -0.19 -3.56 0.18 0.00 0.01 0.00 0.00 42.46 38.90 1ckl s ILE 122 CO 0.25 0.52 0.54 0.00 0.00 0.00 0.00 174.94 176.25 1ckl n GLU 124 N 3.50 0.96 -4.17 0.00 1.02 -1.21 -4.93 120.64 115.80 1ckl n GLU 124 Ca 0.10 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.09 1ckl n GLU 124 Cb 0.40 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.71 1ckl n GLU 124 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1ckl s LYS 125 N -0.09 0.84 0.00 3.49 2.20 -1.26 -4.24 119.74 120.67 1ckl s LYS 125 Ca 0.00 -1.13 0.00 0.00 -0.36 0.00 0.00 55.97 54.48 1ckl s LYS 125 Cb 0.00 -0.56 0.00 0.00 -1.51 0.00 0.00 37.83 35.76 1ckl s LYS 125 CO 0.00 0.09 0.00 1.55 -0.36 0.00 0.00 175.35 176.63