#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 2.95 -2.34 0.00 1.02 -1.26 0.65 120.64 121.67 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 0.76 4.43 0.78 3.49 8.01 -1.26 -4.55 118.70 130.37 1ckl s GLU 3 Ca 0.00 1.90 -0.14 0.00 0.01 0.00 0.00 54.97 56.74 1ckl s GLU 3 Cb 0.00 -3.27 0.07 0.00 -4.31 0.00 0.00 34.13 26.62 1ckl s GLU 3 CO 0.00 -0.23 1.21 -1.25 0.01 0.00 0.00 175.26 175.00 1ckl s PRO 4 N 0.46 1.79 1.09 0.39 0.04 -1.26 -4.98 135.00 132.54 1ckl s PRO 4 Ca 0.57 1.75 -0.18 0.00 0.04 0.00 0.00 61.00 63.19 1ckl s PRO 4 Cb -0.33 -1.79 0.09 0.00 0.04 0.00 0.00 34.50 32.51 1ckl s PRO 4 CO 0.33 -2.10 0.03 -2.30 0.04 0.00 0.00 177.00 173.00 1ckl n PRO 5 N -3.13 -1.37 -4.98 0.56 -0.02 -1.26 -5.03 135.00 119.77 1ckl n PRO 5 Ca 0.13 -0.38 -0.31 0.00 -2.02 0.00 0.00 63.50 60.93 1ckl n PRO 5 Cb 0.50 -1.71 -0.15 0.00 -0.02 0.00 0.00 33.50 32.13 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 -2.25 2.24 0.27 3.45 -4.23 -1.26 -4.91 115.64 108.95 1ckl s THR 6 Ca 0.56 -1.26 0.05 0.00 -1.18 0.00 0.00 61.69 59.86 1ckl s THR 6 Cb -0.13 -1.86 -0.06 0.00 1.34 0.00 0.00 72.50 71.80 1ckl s THR 6 CO 0.66 0.43 -0.02 -0.36 -0.54 0.00 0.00 174.62 174.79 1ckl s PHE 7 N -0.77 1.80 -0.16 3.99 0.08 -1.24 -5.04 117.98 116.64 1ckl s PHE 7 Ca 0.12 -0.82 0.19 0.00 0.12 0.00 0.00 56.93 56.54 1ckl s PHE 7 Cb -0.10 -1.06 -0.09 0.00 -0.57 0.00 0.00 43.02 41.20 1ckl s PHE 7 CO 0.02 0.12 0.89 -0.85 -0.10 0.00 0.00 175.22 175.30 1ckl n GLU 8 N -0.53 0.62 -0.04 0.44 0.28 -1.26 -4.20 120.64 115.95 1ckl n GLU 8 Ca -0.05 0.18 0.01 0.00 -0.16 0.00 0.00 57.16 57.14 1ckl n GLU 8 Cb 0.64 -1.81 -0.15 0.00 1.43 0.00 0.00 31.44 31.55 1ckl n GLU 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ckl n ALA 9 N -2.32 2.12 -2.64 -1.84 0.00 -1.26 -4.91 120.51 109.66 1ckl n ALA 9 Ca -0.06 -0.85 -0.33 0.00 0.00 0.00 0.00 53.44 52.20 1ckl n ALA 9 Cb 0.73 -0.56 -0.10 0.00 0.00 0.00 0.00 19.45 19.52 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 -2.99 2.70 -0.08 0.00 -1.94 -1.26 -0.77 119.30 114.96 1ckl s MET 10 Ca -0.08 -0.64 0.05 0.00 -1.71 0.00 0.00 55.69 53.32 1ckl s MET 10 Cb 0.10 -2.60 -0.00 0.00 2.01 0.00 0.00 34.83 34.33 1ckl s MET 10 CO 0.86 0.63 -0.24 -1.21 -0.01 0.00 0.00 175.02 175.05 1ckl s GLU 11 N -1.37 2.71 0.66 2.03 2.02 -0.59 -3.70 118.70 120.46 1ckl s GLU 11 Ca 0.17 -0.86 -0.18 0.00 0.02 0.00 0.00 54.97 54.13 1ckl s GLU 11 Cb -0.11 -2.16 -0.00 0.00 0.10 0.00 0.00 34.13 31.95 1ckl s GLU 11 CO 0.08 0.27 1.27 -1.17 0.02 0.00 0.00 175.26 175.72 1ckl s LEU 12 N 0.11 3.54 -0.11 1.80 2.96 -1.26 -0.58 118.68 125.13 1ckl s LEU 12 Ca -0.11 2.54 -0.10 0.00 -0.22 0.00 0.00 54.13 56.25 1ckl s LEU 12 Cb -0.16 -4.61 -0.05 0.00 0.50 0.00 0.00 46.19 41.88 1ckl s LEU 12 CO 0.06 -2.00 0.21 -0.63 -1.32 0.00 0.00 176.35 172.67 1ckl s ILE 13 N -1.53 5.38 0.05 6.68 1.01 0.10 -4.74 121.20 128.14 1ckl s ILE 13 Ca 0.80 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.83 1ckl s ILE 13 Cb -0.35 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.62 1ckl s ILE 13 CO 0.40 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.51 1ckl n GLY 14 N 2.27 -2.60 3.78 6.18 0.00 -1.26 -4.74 105.19 108.82 1ckl n GLY 14 Ca -0.17 -1.42 -0.39 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.98 4.55 0.25 1.61 1.02 -1.26 -5.02 119.74 117.90 1ckl s LYS 15 Ca 0.00 1.14 -0.31 0.00 0.02 0.00 0.00 55.97 56.82 1ckl s LYS 15 Cb 0.00 -3.24 -0.14 0.00 -0.52 0.00 0.00 37.83 33.93 1ckl s LYS 15 CO 0.00 0.57 1.32 -2.30 -0.92 0.00 0.00 175.35 174.02 1ckl n PRO 16 N 1.56 1.85 -3.85 -1.68 -0.02 -1.26 -5.03 135.00 126.57 1ckl n PRO 16 Ca -0.06 0.66 -0.21 0.00 -2.02 0.00 0.00 63.50 61.88 1ckl n PRO 16 Cb 0.49 -2.26 -0.02 0.00 -0.02 0.00 0.00 33.50 31.69 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 -0.69 3.18 0.06 -0.52 1.02 -1.26 -5.04 119.74 116.50 1ckl s LYS 17 Ca 0.66 -0.94 -0.07 0.00 0.02 0.00 0.00 55.97 55.64 1ckl s LYS 17 Cb -0.67 -2.77 -0.30 0.00 -0.52 0.00 0.00 37.83 33.57 1ckl s LYS 17 CO 0.53 0.29 1.09 -1.00 -0.92 0.00 0.00 175.35 175.34 1ckl h PRO 18 N 1.17 0.34 -4.59 -1.68 0.13 -1.92 -3.37 132.00 122.07 1ckl h PRO 18 Ca -0.49 -0.58 -0.37 0.00 -0.87 0.00 0.00 66.00 63.69 1ckl h PRO 18 Cb 1.24 0.21 -0.29 0.00 0.13 0.00 0.00 31.00 32.30 1ckl h PRO 18 CO 0.59 1.27 -0.77 -0.47 -0.23 0.00 0.00 178.00 178.39 1ckl s TYR 19 N -2.64 0.71 -0.06 1.56 5.04 -1.26 -4.21 117.35 116.49 1ckl s TYR 19 Ca -0.05 -0.14 0.04 0.00 -2.44 0.00 0.00 57.07 54.48 1ckl s TYR 19 Cb 0.06 -0.46 0.00 0.00 0.35 0.00 0.00 41.96 41.92 1ckl s TYR 19 CO 0.90 -0.02 -0.17 0.71 -1.34 0.00 0.00 175.55 175.64 1ckl s TYR 20 N -0.16 1.75 0.78 4.97 2.02 0.21 -4.90 117.35 122.01 1ckl s TYR 20 Ca 0.03 -0.58 -0.12 0.00 -0.37 0.00 0.00 57.07 56.03 1ckl s TYR 20 Cb -0.03 -1.20 0.07 0.00 -0.40 0.00 0.00 41.96 40.39 1ckl s TYR 20 CO -0.00 -0.23 1.14 -1.21 -1.57 0.00 0.00 175.55 173.67 1ckl s GLU 21 N 0.25 2.01 0.17 -0.62 0.41 -1.26 0.65 118.70 120.31 1ckl s GLU 21 Ca -0.09 1.45 -0.30 0.00 -0.41 0.00 0.00 54.97 55.62 1ckl s GLU 21 Cb -0.14 -1.85 -0.08 0.00 -1.78 0.00 0.00 34.13 30.29 1ckl s GLU 21 CO 0.03 -1.87 1.28 0.42 -0.49 0.00 0.00 175.26 174.63 1ckl s ILE 22 N -2.52 3.41 0.00 -1.63 1.01 -1.26 -1.84 121.20 118.37 1ckl s ILE 22 Ca 0.67 1.12 0.00 0.00 0.00 0.00 0.00 60.65 62.44 1ckl s ILE 22 Cb -0.22 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.53 1ckl s ILE 22 CO 0.51 0.15 0.00 0.61 0.00 0.00 0.00 174.94 176.21 1ckl n GLY 23 N 2.60 0.66 3.75 6.18 0.00 0.16 -4.99 105.19 113.55 1ckl n GLY 23 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.69 4.83 -0.12 1.61 2.02 -0.77 -4.78 118.70 120.80 1ckl s GLU 24 Ca 0.00 1.51 0.02 0.00 0.02 0.00 0.00 54.97 56.52 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 0.46 -0.18 0.50 0.02 0.00 0.00 175.26 176.06 1ckl s ARG 25 N -1.08 3.21 -0.02 1.61 3.52 -1.26 -1.24 118.95 123.68 1ckl s ARG 25 Ca 0.42 -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 0.33 0.17 -0.07 0.14 -0.81 0.00 0.00 175.30 175.06 1ckl s VAL 26 N 0.40 3.68 0.04 7.11 -7.23 0.23 -4.94 120.40 119.69 1ckl s VAL 26 Ca -0.14 -0.66 0.09 0.00 -1.81 0.00 0.00 61.98 59.47 1ckl s VAL 26 Cb -0.17 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 1ckl s VAL 26 CO 0.06 0.47 -0.26 -1.81 -0.31 0.00 0.00 175.10 173.25 1ckl s ASP 27 N -1.19 3.15 0.47 4.85 1.11 -1.26 0.32 116.67 124.12 1ckl s ASP 27 Ca 0.15 -0.58 0.06 0.00 0.18 0.00 0.00 52.55 52.36 1ckl s ASP 27 Cb -0.11 -0.29 -0.02 0.00 1.07 0.00 0.00 42.92 43.57 1ckl s ASP 27 CO 0.05 0.27 0.20 -0.31 1.18 0.00 0.00 175.17 176.56 1ckl s TYR 28 N -0.78 2.18 0.17 4.23 1.51 -0.92 -0.73 117.35 123.01 1ckl s TYR 28 Ca 0.11 -0.73 0.01 0.00 -1.01 0.00 0.00 57.07 55.45 1ckl s TYR 28 Cb -0.10 -1.88 -0.05 0.00 -0.11 0.00 0.00 41.96 39.83 1ckl s TYR 28 CO 0.02 0.01 0.01 -1.59 -1.11 0.00 0.00 175.55 172.89 1ckl s LYS 29 N -4.00 1.09 -0.26 -0.62 -2.85 0.25 -4.81 119.74 108.53 1ckl s LYS 29 Ca 0.32 -1.52 -0.25 0.00 -1.00 0.00 0.00 55.97 53.52 1ckl s LYS 29 Cb 0.02 -0.18 -0.00 0.00 -2.06 0.00 0.00 37.83 35.60 1ckl s LYS 29 CO 0.18 -0.16 0.85 0.00 0.10 0.00 0.00 175.35 176.32 1ckl n LYS 31 N 6.14 1.74 0.00 0.00 5.02 0.05 -4.75 118.16 126.36 1ckl n LYS 31 Ca 0.06 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 1ckl n LYS 31 Cb 0.48 -2.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.17 1ckl n LYS 31 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1ckl n LYS 32 N 2.76 0.00 -0.62 1.97 4.81 -1.26 -0.03 118.16 125.79 1ckl n LYS 32 Ca 0.16 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.55 1ckl n LYS 32 Cb 0.26 0.00 0.17 0.00 0.02 0.00 0.00 35.03 35.48 1ckl n LYS 32 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ckl n GLY 33 N -0.59 2.91 3.35 3.14 0.00 -1.26 -4.86 105.19 107.88 1ckl n GLY 33 Ca 0.00 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.97 1.95 0.10 1.61 1.51 0.95 -3.78 117.35 117.74 1ckl s TYR 34 Ca 0.32 -0.43 0.05 0.00 -1.01 0.00 0.00 57.07 56.01 1ckl s TYR 34 Cb 0.26 -0.99 -0.04 0.00 -0.11 0.00 0.00 41.96 41.08 1ckl s TYR 34 CO 0.08 0.35 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.68 1ckl s PHE 35 N -1.77 1.26 -0.18 2.71 0.40 0.92 -4.69 117.98 116.64 1ckl s PHE 35 Ca 0.15 -0.56 -0.18 0.00 -0.60 0.00 0.00 56.93 55.74 1ckl s PHE 35 Cb -0.07 -0.68 -0.03 0.00 0.51 0.00 0.00 43.02 42.75 1ckl s PHE 35 CO 0.07 0.09 0.51 -0.47 0.70 0.00 0.00 175.22 176.11 1ckl s TYR 36 N -2.04 3.41 -0.13 0.36 5.04 -1.26 -0.42 117.35 122.30 1ckl s TYR 36 Ca 0.06 0.81 0.01 0.00 -2.44 0.00 0.00 57.07 55.50 1ckl s TYR 36 Cb -0.05 -2.63 0.02 0.00 0.35 0.00 0.00 41.96 39.64 1ckl s TYR 36 CO 0.02 -0.02 -0.15 0.42 -1.34 0.00 0.00 175.55 174.48 1ckl s ILE 37 N 1.34 1.56 0.81 3.14 -1.09 -0.71 -5.01 121.20 121.24 1ckl s ILE 37 Ca 0.25 -0.65 -0.15 0.00 -2.23 0.00 0.00 60.65 57.87 1ckl s ILE 37 Cb -0.15 -1.45 0.01 0.00 -1.58 0.00 0.00 42.46 39.29 1ckl s ILE 37 CO 0.10 0.46 0.63 -0.81 -1.23 0.00 0.00 174.94 174.08 1ckl n PRO 38 N 4.54 0.11 -0.00 2.79 -0.04 -1.26 -4.38 135.00 136.76 1ckl n PRO 38 Ca -0.18 0.09 0.09 0.00 -0.04 0.00 0.00 63.50 63.46 1ckl n PRO 38 Cb 0.50 -1.96 -0.13 0.00 -0.04 0.00 0.00 33.50 31.87 1ckl n PRO 38 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1ckl n PRO 39 N -1.53 0.72 -1.33 0.54 -0.04 -1.26 -5.12 135.00 126.99 1ckl n PRO 39 Ca 0.10 -0.08 -0.40 0.00 -0.04 0.00 0.00 63.50 63.08 1ckl n PRO 39 Cb 0.51 -1.42 0.01 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.78 -2.19 -4.85 1.53 4.77 -1.26 -4.98 117.00 108.23 1ckl n LEU 40 Ca 0.00 0.73 -0.32 0.00 -0.03 0.00 0.00 56.01 56.39 1ckl n LEU 40 Cb 0.39 -0.95 -0.06 0.00 -2.33 0.00 0.00 43.42 40.47 1ckl n LEU 40 CO 0.39 -4.11 -0.20 0.00 -1.33 0.00 0.00 177.39 172.14 1ckl s ALA 41 N -1.82 3.79 -0.56 -1.18 0.00 -1.26 -4.86 121.76 115.87 1ckl s ALA 41 Ca 0.61 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.77 1ckl s ALA 41 Cb -0.53 -1.70 0.27 0.00 0.00 0.00 0.00 23.12 21.17 1ckl s ALA 41 CO 0.62 0.75 0.74 0.25 0.00 0.00 0.00 175.76 178.12 1ckl n THR 42 N 0.75 1.68 -3.54 0.00 -2.24 -1.26 -4.32 114.28 105.36 1ckl n THR 42 Ca -0.10 -5.00 -0.10 0.00 -2.27 0.00 0.00 64.05 56.59 1ckl n THR 42 Cb 0.52 -1.81 -0.04 0.00 -2.10 0.00 0.00 70.33 66.90 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 -2.39 -0.39 0.03 4.78 -3.43 -1.26 -2.17 115.29 110.46 1ckl s HIS 43 Ca 0.41 0.49 -0.08 0.00 -0.80 0.00 0.00 55.06 55.08 1ckl s HIS 43 Cb 0.19 0.49 -0.00 0.00 -1.43 0.00 0.00 32.58 31.83 1ckl s HIS 43 CO -0.06 -0.47 0.15 -0.08 -2.00 0.00 0.00 174.74 172.28 1ckl s THR 44 N -2.05 0.12 0.08 -5.38 -1.32 0.15 -4.91 115.64 102.33 1ckl s THR 44 Ca 0.00 -0.95 0.08 0.00 -1.21 0.00 0.00 61.69 59.61 1ckl s THR 44 Cb -0.01 -0.85 -0.04 0.00 -1.51 0.00 0.00 72.50 70.10 1ckl s THR 44 CO -0.02 -0.53 -0.18 -0.63 -2.21 0.00 0.00 174.62 171.05 1ckl s ILE 45 N -2.45 2.79 -0.48 5.08 -1.09 -1.26 -0.60 121.20 123.19 1ckl s ILE 45 Ca -0.06 -1.37 -0.25 0.00 -2.23 0.00 0.00 60.65 56.74 1ckl s ILE 45 Cb -0.02 -2.23 0.03 0.00 -1.58 0.00 0.00 42.46 38.66 1ckl s ILE 45 CO -0.04 0.21 0.94 0.00 -1.23 0.00 0.00 174.94 174.82 1ckl s ASP 47 N 2.37 4.55 0.00 0.00 -4.77 0.93 -0.66 116.67 119.08 1ckl s ASP 47 Ca 0.36 0.86 0.04 0.00 -3.30 0.00 0.00 52.55 50.52 1ckl s ASP 47 Cb -0.10 -1.41 0.20 0.00 -1.09 0.00 0.00 42.92 40.51 1ckl s ASP 47 CO 0.25 -1.89 1.12 -2.11 0.70 0.00 0.00 175.17 173.24 1ckl n ARG 48 N -3.32 0.01 0.00 2.11 1.85 -1.26 -0.41 116.66 115.64 1ckl n ARG 48 Ca 0.08 0.40 0.11 0.00 -1.00 0.00 0.00 57.85 57.43 1ckl n ARG 48 Cb 0.60 -1.50 0.04 0.00 -1.05 0.00 0.00 32.46 30.55 1ckl n ARG 48 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1ckl n ASN 49 N -1.47 2.39 -1.76 2.89 5.15 -1.26 -4.96 115.26 116.24 1ckl n ASN 49 Ca 0.01 -1.69 -0.11 0.00 -0.60 0.00 0.00 54.58 52.18 1ckl n ASN 49 Cb 0.05 0.25 0.02 0.00 -0.53 0.00 0.00 39.78 39.57 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 0.58 -1.12 -4.51 1.20 8.25 0.45 -5.04 115.22 115.03 1ckl n HIS 50 Ca 0.11 0.33 -0.25 0.00 -0.26 0.00 0.00 57.72 57.66 1ckl n HIS 50 Cb 0.50 -2.84 -0.10 0.00 1.12 0.00 0.00 29.99 28.66 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 -2.94 2.13 0.21 1.59 -4.23 -1.26 -4.41 115.64 106.74 1ckl s THR 51 Ca 0.19 -2.21 -0.09 0.00 -1.18 0.00 0.00 61.69 58.41 1ckl s THR 51 Cb -0.09 -2.56 -0.07 0.00 1.34 0.00 0.00 72.50 71.13 1ckl s THR 51 CO 0.24 -0.25 0.51 0.26 -0.54 0.00 0.00 174.62 174.84 1ckl s TRP 52 N -2.69 3.43 0.42 3.99 0.52 -1.26 -0.05 118.94 123.30 1ckl s TRP 52 Ca 0.31 0.80 -0.24 0.00 0.02 0.00 0.00 56.10 57.00 1ckl s TRP 52 Cb 0.02 -2.20 -0.08 0.00 -1.15 0.00 0.00 33.47 30.05 1ckl s TRP 52 CO 0.15 0.30 1.13 -0.51 0.02 0.00 0.00 176.95 178.04 1ckl s LEU 53 N -2.80 4.11 0.60 2.99 1.43 -0.42 -4.88 118.68 119.71 1ckl s LEU 53 Ca 0.46 2.23 -0.19 0.00 -1.03 0.00 0.00 54.13 55.60 1ckl s LEU 53 Cb -0.11 -4.15 -0.04 0.00 0.03 0.00 0.00 46.19 41.91 1ckl s LEU 53 CO 0.22 -0.70 1.11 -2.65 0.23 0.00 0.00 176.35 174.56 1ckl n PRO 54 N -0.17 1.09 -3.44 1.29 -0.02 -1.26 -4.72 135.00 127.78 1ckl n PRO 54 Ca 0.06 0.42 -0.12 0.00 -2.02 0.00 0.00 63.50 61.84 1ckl n PRO 54 Cb 0.48 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 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 -1.43 0.00 0.06 -1.45 0.11 -1.26 -5.01 120.40 111.41 1ckl s VAL 55 Ca 0.76 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.78 1ckl s VAL 55 Cb -0.41 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.41 1ckl s VAL 55 CO 0.46 0.00 0.04 -0.94 -3.33 0.00 0.00 175.10 171.33 1ckl s SER 56 N -2.61 0.35 0.00 3.54 1.04 -1.26 -5.03 113.70 109.72 1ckl s SER 56 Ca 0.01 -0.83 0.30 0.00 0.48 0.00 0.00 55.95 55.90 1ckl s SER 56 Cb -0.01 0.24 1.37 0.00 0.10 0.00 0.00 66.02 67.72 1ckl s SER 56 CO -0.11 -0.61 1.99 -0.90 0.98 0.00 0.00 173.24 174.59 1ckl n ASP 57 N 0.20 0.00 -0.36 7.02 5.68 -1.26 -4.22 116.55 123.61 1ckl n ASP 57 Ca -0.15 0.21 0.35 0.00 -0.50 0.00 0.00 54.79 54.70 1ckl n ASP 57 Cb 0.61 -0.40 0.72 0.00 -1.14 0.00 0.00 41.12 40.91 1ckl n ASP 57 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1ckl h ASP 58 N 0.00 0.08 0.41 -1.12 5.19 -1.95 0.26 116.42 119.29 1ckl h ASP 58 Ca 0.00 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1ckl h ASP 58 Cb 0.40 0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.92 1ckl h ASP 58 CO 0.00 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.12 1ckl h ALA 59 N 1.41 1.00 -2.80 3.45 0.00 -1.87 -3.41 119.26 117.04 1ckl h ALA 59 Ca 0.62 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.87 1ckl h ALA 59 Cb 2.31 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 19.93 1ckl h ALA 59 CO -0.07 0.00 -0.50 0.00 0.00 0.00 0.00 179.25 178.68 1ckl s TYR 61 N 1.75 3.61 0.29 0.00 2.02 0.44 -4.83 117.35 120.62 1ckl s TYR 61 Ca 0.07 0.74 0.06 0.00 -0.37 0.00 0.00 57.07 57.57 1ckl s TYR 61 Cb -0.17 -2.21 -0.02 0.00 -0.40 0.00 0.00 41.96 39.16 1ckl s TYR 61 CO 0.11 0.54 0.40 -0.98 -1.57 0.00 0.00 175.55 174.04 1ckl s ARG 62 N -0.56 3.23 0.60 -0.62 1.70 -1.26 -0.06 118.95 121.98 1ckl s ARG 62 Ca 0.19 -0.92 -0.18 0.00 -0.47 0.00 0.00 55.73 54.36 1ckl s ARG 62 Cb -0.14 -2.82 -0.14 0.00 -0.57 0.00 0.00 34.95 31.28 1ckl s ARG 62 CO 0.08 0.25 -0.11 -1.91 -1.08 0.00 0.00 175.30 172.52 1ckl n GLU 63 N -1.50 0.07 -4.35 3.89 4.07 -1.25 -4.70 120.64 116.87 1ckl n GLU 63 Ca -0.05 0.03 -0.19 0.00 -0.06 0.00 0.00 57.16 56.90 1ckl n GLU 63 Cb 0.58 -1.13 -0.10 0.00 -0.06 0.00 0.00 31.44 30.73 1ckl n GLU 63 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 1ckl s THR 64 N -1.97 1.77 0.20 6.31 -4.23 -1.26 -2.10 115.64 114.37 1ckl s THR 64 Ca 0.56 -2.22 -0.06 0.00 -1.18 0.00 0.00 61.69 58.80 1ckl s THR 64 Cb -0.44 -2.07 -0.06 0.00 1.34 0.00 0.00 72.50 71.28 1ckl s THR 64 CO 0.67 -0.58 0.45 0.00 -0.54 0.00 0.00 174.62 174.62 1ckl n PRO 66 N -0.24 0.24 -1.72 0.00 -0.02 -1.26 -4.93 135.00 127.06 1ckl n PRO 66 Ca -0.02 0.15 -0.37 0.00 -2.02 0.00 0.00 63.50 61.24 1ckl n PRO 66 Cb 0.52 -2.34 0.07 0.00 -0.02 0.00 0.00 33.50 31.73 1ckl n PRO 66 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1ckl n TYR 67 N -3.10 1.81 -3.87 6.00 9.36 -1.26 -5.03 117.16 121.07 1ckl n TYR 67 Ca 0.13 0.42 -0.30 0.00 3.32 0.00 0.00 57.90 61.47 1ckl n TYR 67 Cb 0.50 -2.25 -0.15 0.00 -0.63 0.00 0.00 39.34 36.81 1ckl n TYR 67 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1ckl s ILE 68 N -1.40 1.39 0.13 2.97 1.01 -1.26 -5.11 121.20 118.93 1ckl s ILE 68 Ca 0.82 -1.53 -0.31 0.00 0.00 0.00 0.00 60.65 59.63 1ckl s ILE 68 Cb -0.38 -1.92 -0.09 0.00 0.01 0.00 0.00 42.46 40.08 1ckl s ILE 68 CO 0.41 -0.46 1.58 0.00 0.00 0.00 0.00 174.94 176.47 1ckl s ARG 69 N 1.39 4.22 -0.42 2.79 1.70 -1.26 -4.79 118.95 122.58 1ckl s ARG 69 Ca 0.05 2.32 -0.39 0.00 -0.47 0.00 0.00 55.73 57.24 1ckl s ARG 69 Cb -0.18 -3.32 -0.15 0.00 -0.57 0.00 0.00 34.95 30.73 1ckl s ARG 69 CO -0.14 -0.64 2.17 -0.25 -1.08 0.00 0.00 175.30 175.36 1ckl n ASP 70 N 4.54 1.49 -4.67 -2.89 8.00 -1.26 -4.81 116.55 116.94 1ckl n ASP 70 Ca 0.14 0.53 -0.36 0.00 0.71 0.00 0.00 54.79 55.82 1ckl n ASP 70 Cb 0.40 -1.10 0.09 0.00 -0.02 0.00 0.00 41.12 40.49 1ckl n ASP 70 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1ckl n PRO 71 N 7.88 0.65 -1.44 -0.24 -0.04 -0.84 -4.74 135.00 136.23 1ckl n PRO 71 Ca 0.48 0.28 -0.56 0.00 -0.04 0.00 0.00 63.50 63.66 1ckl n PRO 71 Cb 0.11 -2.38 -0.08 0.00 -0.04 0.00 0.00 33.50 31.11 1ckl n PRO 71 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ckl n LEU 72 N -2.12 0.48 -1.97 1.53 4.77 -1.26 -0.40 117.00 118.03 1ckl n LEU 72 Ca 0.14 1.04 -0.20 0.00 -0.03 0.00 0.00 56.01 56.97 1ckl n LEU 72 Cb 0.49 -0.80 -0.04 0.00 -2.33 0.00 0.00 43.42 40.74 1ckl n LEU 72 CO 0.48 -1.27 -0.23 0.59 -1.33 0.00 0.00 177.39 175.63 1ckl n ASN 73 N 2.34 -5.55 -3.63 -1.43 3.02 -1.26 -4.45 115.26 104.30 1ckl n ASN 73 Ca 0.22 0.18 -0.03 0.00 -0.03 0.00 0.00 54.58 54.92 1ckl n ASN 73 Cb 0.01 -4.66 -0.05 0.00 -0.61 0.00 0.00 39.78 34.48 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 -2.37 -0.63 0.14 7.41 0.00 0.46 -1.37 107.32 110.97 1ckl s GLY 74 Ca 0.00 2.46 -0.30 0.00 0.00 0.00 0.00 44.72 46.88 1ckl s GLY 74 CO 0.00 2.83 1.12 1.20 0.00 0.00 0.00 173.10 178.25 1ckl s GLN 75 N 2.36 4.55 -0.26 2.90 -1.52 -1.18 -1.99 119.66 124.52 1ckl s GLN 75 Ca -0.07 1.72 -0.10 0.00 -1.95 0.00 0.00 55.36 54.95 1ckl s GLN 75 Cb -0.09 -3.30 -0.05 0.00 -0.22 0.00 0.00 33.01 29.36 1ckl s GLN 75 CO -0.19 -0.01 0.16 0.00 -0.25 0.00 0.00 175.29 175.00 1ckl s ALA 76 N 0.11 3.51 -0.08 6.09 0.00 -1.26 -2.87 121.76 127.26 1ckl s ALA 76 Ca 0.52 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.47 1ckl s ALA 76 Cb -0.29 -2.36 0.02 0.00 0.00 0.00 0.00 23.12 20.49 1ckl s ALA 76 CO 0.33 -0.39 -0.08 0.54 0.00 0.00 0.00 175.76 176.16 1ckl s VAL 77 N 1.45 0.89 -0.76 0.00 0.11 -0.54 -4.73 120.40 116.82 1ckl s VAL 77 Ca 0.07 -0.27 -0.25 0.00 -2.93 0.00 0.00 61.98 58.60 1ckl s VAL 77 Cb -0.15 -0.89 0.05 0.00 -1.53 0.00 0.00 36.38 33.86 1ckl s VAL 77 CO 0.08 0.32 1.21 -2.16 -3.33 0.00 0.00 175.10 171.22 1ckl s PRO 78 N 1.23 3.23 0.97 1.54 0.04 -1.26 -0.73 135.00 140.02 1ckl s PRO 78 Ca -0.05 -0.56 -0.11 0.00 0.04 0.00 0.00 61.00 60.32 1ckl s PRO 78 Cb -0.14 -4.36 0.14 0.00 0.04 0.00 0.00 34.50 30.18 1ckl s PRO 78 CO -0.02 -2.06 0.89 0.00 0.04 0.00 0.00 177.00 175.85 1ckl n ALA 79 N 8.78 -1.70 -1.06 8.56 0.00 -1.13 -0.72 120.51 133.24 1ckl n ALA 79 Ca 0.06 -0.69 -0.02 0.00 0.00 0.00 0.00 53.44 52.79 1ckl n ALA 79 Cb 0.48 -2.04 -0.01 0.00 0.00 0.00 0.00 19.45 17.88 1ckl n ALA 79 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ckl n ASN 80 N -3.50 -4.97 -2.90 0.00 4.13 -1.26 -4.18 115.26 102.58 1ckl n ASN 80 Ca 0.09 0.05 -0.20 0.00 1.68 0.00 0.00 54.58 56.21 1ckl n ASN 80 Cb 0.53 -2.66 -0.04 0.00 -1.54 0.00 0.00 39.78 36.07 1ckl n ASN 80 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ckl n GLY 81 N -0.45 -0.23 3.33 7.41 0.00 0.10 -4.87 105.19 110.48 1ckl n GLY 81 Ca -0.02 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 1ckl n GLY 81 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ckl s THR 82 N -2.04 0.05 -0.25 2.61 -1.32 -1.26 -5.02 115.64 108.42 1ckl s THR 82 Ca 0.38 -0.45 0.13 0.00 -1.21 0.00 0.00 61.69 60.54 1ckl s THR 82 Cb -0.22 -0.99 0.62 0.00 -1.51 0.00 0.00 72.50 70.41 1ckl s THR 82 CO 0.47 -0.25 1.58 -1.22 -2.21 0.00 0.00 174.62 172.99 1ckl n TYR 83 N 0.38 1.54 -2.65 9.09 4.02 -1.26 -4.77 117.16 123.51 1ckl n TYR 83 Ca -0.18 -1.07 -0.31 0.00 -0.01 0.00 0.00 57.90 56.33 1ckl n TYR 83 Cb 0.60 -0.48 -0.03 0.00 -0.02 0.00 0.00 39.34 39.42 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 -2.94 3.81 0.36 -0.72 2.02 -1.26 -0.06 118.70 119.90 1ckl s GLU 84 Ca 0.48 0.63 -0.27 0.00 0.02 0.00 0.00 54.97 55.82 1ckl s GLU 84 Cb 0.39 -2.29 -0.09 0.00 0.10 0.00 0.00 34.13 32.23 1ckl s GLU 84 CO 0.10 -0.14 1.18 -0.59 0.02 0.00 0.00 175.26 175.82 1ckl s PHE 85 N -2.51 3.18 0.00 1.61 -0.12 -0.89 -3.24 117.98 116.01 1ckl s PHE 85 Ca 0.54 1.56 0.00 0.00 -0.05 0.00 0.00 56.93 58.97 1ckl s PHE 85 Cb -0.10 -3.43 0.00 0.00 -0.63 0.00 0.00 43.02 38.86 1ckl s PHE 85 CO 0.33 -1.26 0.00 0.41 -0.05 0.00 0.00 175.22 174.65 1ckl n GLY 86 N 0.79 0.77 3.60 1.99 0.00 0.19 -4.90 105.19 107.62 1ckl n GLY 86 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1ckl n GLY 86 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ckl s TYR 87 N -2.00 1.96 0.13 1.61 2.02 -1.20 -5.01 117.35 114.86 1ckl s TYR 87 Ca 0.00 -1.02 0.02 0.00 -0.37 0.00 0.00 57.07 55.70 1ckl s TYR 87 Cb 0.00 -1.43 -0.04 0.00 -0.40 0.00 0.00 41.96 40.09 1ckl s TYR 87 CO 0.00 0.05 -0.04 1.14 -1.57 0.00 0.00 175.55 175.13 1ckl s GLN 88 N -3.80 0.94 -0.10 -0.62 -2.07 -1.26 -1.50 119.66 111.25 1ckl s GLN 88 Ca 0.22 -1.41 -0.03 0.00 -1.82 0.00 0.00 55.36 52.32 1ckl s GLN 88 Cb 0.05 -0.23 -0.03 0.00 -1.09 0.00 0.00 33.01 31.70 1ckl s GLN 88 CO 0.11 -0.06 0.01 1.41 -1.32 0.00 0.00 175.29 175.45 1ckl s MET 89 N -3.86 3.18 0.35 9.60 -2.45 -0.04 -2.82 119.30 123.25 1ckl s MET 89 Ca 0.16 -0.40 0.08 0.00 -1.25 0.00 0.00 55.69 54.29 1ckl s MET 89 Cb 0.05 -2.87 -0.04 0.00 1.25 0.00 0.00 34.83 33.22 1ckl s MET 89 CO -0.01 0.62 0.14 -1.01 1.05 0.00 0.00 175.02 175.80 1ckl s HIS 90 N -0.64 2.68 -0.06 4.11 3.76 0.09 -1.40 115.29 123.83 1ckl s HIS 90 Ca 0.11 -0.41 -0.05 0.00 -0.15 0.00 0.00 55.06 54.56 1ckl s HIS 90 Cb -0.12 -1.68 0.02 0.00 1.11 0.00 0.00 32.58 31.92 1ckl s HIS 90 CO 0.02 0.32 0.16 -0.06 -0.85 0.00 0.00 174.74 174.33 1ckl s PHE 91 N -2.45 -0.18 -0.06 1.40 0.40 -0.99 -1.47 117.98 114.63 1ckl s PHE 91 Ca 0.38 0.44 0.01 0.00 -0.60 0.00 0.00 56.93 57.17 1ckl s PHE 91 Cb -0.02 0.03 0.02 0.00 0.51 0.00 0.00 43.02 43.56 1ckl s PHE 91 CO 0.22 -0.10 -0.08 0.42 0.70 0.00 0.00 175.22 176.38 1ckl s ILE 92 N 0.34 0.82 0.33 0.64 1.01 -1.14 -4.93 121.20 118.27 1ckl s ILE 92 Ca -0.02 -0.29 -0.18 0.00 0.00 0.00 0.00 60.65 60.16 1ckl s ILE 92 Cb -0.03 -0.79 -0.09 0.00 0.01 0.00 0.00 42.46 41.55 1ckl s ILE 92 CO -0.01 0.29 0.80 0.00 0.00 0.00 0.00 174.94 176.01 1ckl s ASN 94 N -2.10 6.23 -0.26 0.00 -0.87 -0.47 -4.82 114.94 112.65 1ckl s ASN 94 Ca 0.54 2.37 -0.40 0.00 -1.57 0.00 0.00 52.86 53.79 1ckl s ASN 94 Cb -0.12 -2.61 -0.16 0.00 -0.02 0.00 0.00 41.25 38.35 1ckl s ASN 94 CO 0.17 -0.88 1.73 1.21 -2.57 0.00 0.00 177.10 176.77 1ckl n GLU 95 N -0.31 1.17 0.00 -0.60 2.13 -1.26 -0.68 120.64 121.08 1ckl n GLU 95 Ca 0.06 0.43 0.00 0.00 0.66 0.00 0.00 57.16 58.31 1ckl n GLU 95 Cb 0.47 -2.11 0.00 0.00 0.27 0.00 0.00 31.44 30.07 1ckl n GLU 95 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ckl n GLY 96 N 4.15 1.27 3.05 8.31 0.00 -1.26 -5.11 105.19 115.60 1ckl n GLY 96 Ca 0.26 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.10 1ckl n GLY 96 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ckl s TYR 97 N -2.00 0.87 -0.12 1.61 1.51 0.14 -4.54 117.35 114.82 1ckl s TYR 97 Ca 0.00 -0.22 -0.02 0.00 -1.01 0.00 0.00 57.07 55.82 1ckl s TYR 97 Cb 0.00 -0.55 -0.03 0.00 -0.11 0.00 0.00 41.96 41.28 1ckl s TYR 97 CO 0.00 -0.01 -0.07 0.71 -1.11 0.00 0.00 175.55 175.07 1ckl s TYR 98 N -0.44 2.96 -0.07 2.71 2.02 -0.54 -4.70 117.35 119.29 1ckl s TYR 98 Ca 0.02 -0.27 -0.29 0.00 -0.37 0.00 0.00 57.07 56.16 1ckl s TYR 98 Cb -0.05 -1.86 -0.02 0.00 -0.40 0.00 0.00 41.96 39.63 1ckl s TYR 98 CO 0.00 0.04 0.95 -1.17 -1.57 0.00 0.00 175.55 173.80 1ckl s LEU 99 N 0.02 4.29 -0.61 -1.29 0.20 -1.26 0.65 118.68 120.68 1ckl s LEU 99 Ca -0.01 1.51 0.04 0.00 0.69 0.00 0.00 54.13 56.37 1ckl s LEU 99 Cb -0.14 -3.49 0.15 0.00 -0.43 0.00 0.00 46.19 42.29 1ckl s LEU 99 CO 0.03 -0.34 0.39 -0.63 -0.29 0.00 0.00 176.35 175.51 1ckl s ILE 100 N 1.55 2.53 -3.71 6.68 1.09 0.52 -4.97 121.20 124.89 1ckl s ILE 100 Ca 0.48 -3.74 0.00 0.00 -1.10 0.00 0.00 60.65 56.28 1ckl s ILE 100 Cb -0.19 -2.70 0.00 0.00 -1.06 0.00 0.00 42.46 38.51 1ckl s ILE 100 CO 0.21 -0.94 0.00 0.61 -0.10 0.00 0.00 174.94 174.72 1ckl n GLY 101 N 2.51 -0.56 3.88 6.18 0.00 -1.26 -2.18 105.19 113.77 1ckl n GLY 101 Ca 0.15 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.48 3.68 0.15 1.61 8.01 -1.26 -4.92 118.70 124.48 1ckl s GLU 102 Ca 0.00 0.03 -0.09 0.00 0.01 0.00 0.00 54.97 54.93 1ckl s GLU 102 Cb 0.00 -2.90 -0.01 0.00 -4.31 0.00 0.00 34.13 26.90 1ckl s GLU 102 CO 0.00 0.50 1.45 1.49 0.01 0.00 0.00 175.26 178.71 1ckl h GLU 103 N 3.20 0.80 -6.73 1.61 4.81 -1.95 -3.39 114.58 112.93 1ckl h GLU 103 Ca -0.47 -0.48 -0.68 0.00 -0.13 0.00 0.00 59.36 57.59 1ckl h GLU 103 Cb 1.18 0.05 -0.21 0.00 0.63 0.00 0.00 28.75 30.40 1ckl h GLU 103 CO 0.70 1.11 -0.82 0.42 -0.73 0.00 0.00 179.01 179.69 1ckl s ILE 104 N -4.14 2.65 0.01 2.32 1.01 -1.26 -2.36 121.20 119.42 1ckl s ILE 104 Ca -0.10 -1.48 0.02 0.00 0.00 0.00 0.00 60.65 59.09 1ckl s ILE 104 Cb 0.11 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.40 1ckl s ILE 104 CO 0.87 0.17 -0.05 -0.76 0.00 0.00 0.00 174.94 175.18 1ckl s LEU 105 N -1.89 2.07 -0.14 2.97 1.43 -0.49 -4.98 118.68 117.65 1ckl s LEU 105 Ca 0.16 -0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 53.03 1ckl s LEU 105 Cb -0.10 -0.21 -0.03 0.00 0.03 0.00 0.00 46.19 45.88 1ckl s LEU 105 CO 0.07 -0.01 -0.03 -0.31 0.23 0.00 0.00 176.35 176.30 1ckl s TYR 106 N -0.42 3.04 -0.22 0.29 1.51 -1.26 -0.87 117.35 119.42 1ckl s TYR 106 Ca -0.01 -0.19 -0.11 0.00 -1.01 0.00 0.00 57.07 55.74 1ckl s TYR 106 Cb -0.04 -1.91 -0.05 0.00 -0.11 0.00 0.00 41.96 39.85 1ckl s TYR 106 CO -0.00 0.07 0.19 0.00 -1.11 0.00 0.00 175.55 174.70 1ckl s GLU 108 N 0.91 1.63 -0.53 0.00 -1.05 -0.98 -0.64 118.70 118.05 1ckl s GLU 108 Ca 0.09 -1.13 -0.16 0.00 -0.15 0.00 0.00 54.97 53.63 1ckl s GLU 108 Cb -0.13 0.53 0.13 0.00 -0.44 0.00 0.00 34.13 34.21 1ckl s GLU 108 CO 0.03 -0.71 0.49 -1.17 0.95 0.00 0.00 175.26 174.85 1ckl s LEU 109 N -2.97 6.13 -0.14 1.83 2.96 -1.26 -0.85 118.68 124.38 1ckl s LEU 109 Ca 0.17 -1.77 0.02 0.00 -0.22 0.00 0.00 54.13 52.33 1ckl s LEU 109 Cb -0.03 -2.20 0.00 0.00 0.50 0.00 0.00 46.19 44.47 1ckl s LEU 109 CO 0.08 -0.84 -0.19 -0.54 -1.32 0.00 0.00 176.35 173.54 1ckl s LYS 110 N 1.59 3.13 2.20 1.98 1.02 -0.65 -4.85 119.74 124.16 1ckl s LYS 110 Ca 0.03 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.22 1ckl s LYS 110 Cb -0.29 -2.50 0.00 0.00 -0.52 0.00 0.00 37.83 34.51 1ckl s LYS 110 CO 0.03 0.05 0.00 0.41 -0.92 0.00 0.00 175.35 174.92 1ckl n GLY 111 N 3.94 -1.20 2.86 -3.33 0.00 -1.26 -3.86 105.19 102.34 1ckl n GLY 111 Ca -0.19 -1.28 -0.28 0.00 0.00 0.00 0.00 46.02 44.26 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 0.27 4.79 -3.89 1.61 7.64 -1.26 -4.98 113.62 117.81 1ckl n SER 112 Ca 0.00 -3.70 -0.10 0.00 1.01 0.00 0.00 58.87 56.09 1ckl n SER 112 Cb 0.00 -0.60 -0.09 0.00 -1.01 0.00 0.00 64.21 62.51 1ckl n SER 112 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ckl s VAL 113 N -4.61 0.12 -0.17 0.44 0.11 -1.25 -5.14 120.40 109.91 1ckl s VAL 113 Ca 0.48 -0.99 -0.17 0.00 -2.93 0.00 0.00 61.98 58.37 1ckl s VAL 113 Cb 0.29 -0.89 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 1ckl s VAL 113 CO -0.15 -0.55 0.44 0.00 -3.33 0.00 0.00 175.10 171.52 1ckl s ALA 114 N -2.56 3.53 -0.00 1.54 0.00 -1.26 -1.63 121.76 121.38 1ckl s ALA 114 Ca -0.05 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 51.54 1ckl s ALA 114 Cb -0.01 -2.65 -0.00 0.00 0.00 0.00 0.00 23.12 20.45 1ckl s ALA 114 CO -0.04 -0.19 -0.02 0.42 0.00 0.00 0.00 175.76 175.93 1ckl s ILE 115 N 1.06 0.20 0.35 0.00 -1.09 -0.03 -4.51 121.20 117.18 1ckl s ILE 115 Ca 0.22 -0.10 -0.27 0.00 -2.23 0.00 0.00 60.65 58.28 1ckl s ILE 115 Cb -0.15 -0.18 -0.09 0.00 -1.58 0.00 0.00 42.46 40.46 1ckl s ILE 115 CO 0.09 0.06 1.15 0.26 -1.23 0.00 0.00 174.94 175.27 1ckl s TRP 116 N -0.01 3.25 -1.40 3.97 0.52 -1.26 -2.31 118.94 121.70 1ckl s TRP 116 Ca 0.00 1.59 0.12 0.00 0.02 0.00 0.00 56.10 57.84 1ckl s TRP 116 Cb -0.02 -3.37 0.59 0.00 -1.15 0.00 0.00 33.47 29.53 1ckl s TRP 116 CO -0.00 -1.07 1.29 -1.13 0.02 0.00 0.00 176.95 176.06 1ckl n SER 117 N 0.51 0.00 -1.18 2.95 3.41 0.22 -4.90 113.62 114.63 1ckl n SER 117 Ca 0.02 0.14 -0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1ckl n SER 117 Cb 0.46 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 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 -0.28 1.16 3.82 5.00 0.00 -1.26 -4.96 105.19 108.67 1ckl n GLY 118 Ca 0.05 -0.92 -0.38 0.00 0.00 0.00 0.00 46.02 44.77 1ckl n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ckl s LYS 119 N -2.00 4.02 0.19 1.61 -0.14 -1.26 -5.04 119.74 117.11 1ckl s LYS 119 Ca 0.02 0.50 -0.33 0.00 -1.36 0.00 0.00 55.97 54.80 1ckl s LYS 119 Cb -0.00 -3.24 -0.13 0.00 -1.68 0.00 0.00 37.83 32.78 1ckl s LYS 119 CO 0.00 0.65 1.64 -0.35 -0.76 0.00 0.00 175.35 176.53 1ckl n PRO 120 N 1.90 2.43 -0.29 -1.68 -0.04 -1.26 -4.69 135.00 131.37 1ckl n PRO 120 Ca -0.13 0.88 -0.30 0.00 -0.04 0.00 0.00 63.50 63.91 1ckl n PRO 120 Cb 0.52 -2.67 0.29 0.00 -0.04 0.00 0.00 33.50 31.59 1ckl n PRO 120 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1ckl n PRO 121 N 3.58 -4.28 -4.38 0.54 -0.04 -1.26 -4.97 135.00 124.18 1ckl n PRO 121 Ca 0.16 -1.26 -0.22 0.00 -0.04 0.00 0.00 63.50 62.14 1ckl n PRO 121 Cb 0.32 -1.96 -0.11 0.00 -0.04 0.00 0.00 33.50 31.71 1ckl n PRO 121 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1ckl s ILE 122 N -2.18 2.04 0.03 0.52 1.01 -0.92 -4.91 121.20 116.79 1ckl s ILE 122 Ca 0.67 -2.14 0.01 0.00 0.00 0.00 0.00 60.65 59.18 1ckl s ILE 122 Cb -0.15 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 1ckl s ILE 122 CO 0.58 -0.39 0.08 0.00 0.00 0.00 0.00 174.94 175.21 1ckl s GLU 124 N -2.01 1.20 0.05 0.00 0.41 0.21 -4.88 118.70 113.68 1ckl s GLU 124 Ca 0.26 -0.87 -0.10 0.00 -0.41 0.00 0.00 54.97 53.85 1ckl s GLU 124 Cb -0.12 -1.27 -0.03 0.00 -1.78 0.00 0.00 34.13 30.93 1ckl s GLU 124 CO 0.17 0.32 1.17 1.57 -0.49 0.00 0.00 175.26 178.01 1ckl h LYS 125 N 4.89 -0.07 0.00 1.61 2.10 -1.87 -1.42 116.57 121.81 1ckl h LYS 125 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1ckl h LYS 125 Cb 1.17 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1ckl h LYS 125 CO 0.44 -0.04 0.00 1.55 -2.00 0.00 0.00 179.45 179.39