#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ckk n ALA 9 N 0.00 2.57 -2.95 6.98 0.00 -1.26 -4.65 120.51 121.20 2ckk n ALA 9 Ca 0.00 -0.17 -0.38 0.00 0.00 0.00 0.00 53.44 52.90 2ckk n ALA 9 Cb 0.00 -1.50 -0.12 0.00 0.00 0.00 0.00 19.45 17.83 2ckk n ALA 9 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2ckk s ARG 10 N -2.32 3.44 0.19 0.00 6.06 -1.26 -1.39 118.95 123.66 2ckk s ARG 10 Ca 0.37 -0.64 0.11 0.00 -2.50 0.00 0.00 55.73 53.07 2ckk s ARG 10 Cb 0.21 -3.47 -0.04 0.00 0.06 0.00 0.00 34.95 31.70 2ckk s ARG 10 CO 0.42 -0.34 -0.24 0.95 -2.50 0.00 0.00 175.30 173.59 2ckk s THR 11 N 1.61 2.37 0.06 4.11 -4.23 -1.26 -5.00 115.64 113.29 2ckk s THR 11 Ca 0.05 -1.99 0.17 0.00 -1.18 0.00 0.00 61.69 58.73 2ckk s THR 11 Cb -0.16 -2.13 0.09 0.00 1.34 0.00 0.00 72.50 71.64 2ckk s THR 11 CO 0.05 -0.10 1.61 -0.78 -0.54 0.00 0.00 174.62 174.87 2ckk h ASP 12 N 3.26 0.00 -3.10 3.99 3.58 -2.00 -3.44 116.42 118.71 2ckk h ASP 12 Ca -0.47 0.00 -0.59 0.00 0.42 0.00 0.00 57.03 56.39 2ckk h ASP 12 Cb 1.20 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.21 2ckk h ASP 12 CO 0.47 0.46 -0.31 -0.72 -2.88 0.00 0.00 179.24 176.26 2ckk s TYR 13 N -3.34 3.52 0.00 0.28 -0.85 -1.26 -5.02 117.35 110.67 2ckk s TYR 13 Ca 0.01 0.63 0.00 0.00 -0.52 0.00 0.00 57.07 57.19 2ckk s TYR 13 Cb 0.10 -2.05 0.00 0.00 0.38 0.00 0.00 41.96 40.39 2ckk s TYR 13 CO 0.71 0.49 0.00 -2.67 -1.52 0.00 0.00 175.55 172.56 2ckk n TRP 14 N 0.51 0.00 -1.75 -3.49 4.27 -1.26 -4.99 117.44 110.72 2ckk n TRP 14 Ca -0.06 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.15 2ckk n TRP 14 Cb 0.52 0.00 0.02 0.00 -1.36 0.00 0.00 31.31 30.49 2ckk n TRP 14 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 2ckk n LEU 15 N -0.07 4.94 -4.11 5.67 4.77 -1.26 -4.87 117.00 122.07 2ckk n LEU 15 Ca 0.00 1.11 -0.13 0.00 -0.03 0.00 0.00 56.01 56.96 2ckk n LEU 15 Cb 0.00 -1.58 -0.11 0.00 -2.33 0.00 0.00 43.42 39.40 2ckk n LEU 15 CO 0.00 -0.28 -0.40 -1.10 -1.33 0.00 0.00 177.39 174.28 2ckk s GLN 16 N -2.43 0.67 0.79 3.23 -1.52 -1.26 -5.00 119.66 114.15 2ckk s GLN 16 Ca 0.62 -0.99 -0.11 0.00 -1.95 0.00 0.00 55.36 52.92 2ckk s GLN 16 Cb -0.46 -0.31 0.06 0.00 -0.22 0.00 0.00 33.01 32.09 2ckk s GLN 16 CO 0.57 0.04 1.09 -1.25 -0.25 0.00 0.00 175.29 175.48 2ckk s PRO 17 N -2.45 2.14 -0.38 2.91 0.04 -1.26 -4.14 135.00 131.86 2ckk s PRO 17 Ca -0.01 0.88 0.00 0.00 0.04 0.00 0.00 61.00 61.91 2ckk s PRO 17 Cb -0.04 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2ckk s PRO 17 CO -0.01 -1.64 0.00 0.39 0.04 0.00 0.00 177.00 175.78 2ckk n GLU 18 N -3.48 -0.67 -4.07 4.56 1.02 -0.07 -4.98 120.64 112.94 2ckk n GLU 18 Ca 0.08 0.46 -0.23 0.00 -0.02 0.00 0.00 57.16 57.44 2ckk n GLU 18 Cb 0.55 -4.15 -0.04 0.00 -0.02 0.00 0.00 31.44 27.78 2ckk n GLU 18 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2ckk s ILE 19 N -1.92 4.65 -0.08 -3.67 -4.36 -1.26 -1.09 121.20 113.47 2ckk s ILE 19 Ca 0.00 -1.21 -0.17 0.00 -0.26 0.00 0.00 60.65 59.01 2ckk s ILE 19 Cb 0.00 -3.48 -0.05 0.00 1.25 0.00 0.00 42.46 40.18 2ckk s ILE 19 CO 0.00 -0.28 0.43 -0.63 0.24 0.00 0.00 174.94 174.71 2ckk s ILE 20 N -2.00 5.14 0.26 8.37 -1.09 0.01 -1.22 121.20 130.67 2ckk s ILE 20 Ca 0.33 0.87 0.05 0.00 -2.23 0.00 0.00 60.65 59.66 2ckk s ILE 20 Cb -0.09 -3.76 -0.05 0.00 -1.58 0.00 0.00 42.46 36.98 2ckk s ILE 20 CO 0.26 0.42 -0.03 0.68 -1.23 0.00 0.00 174.94 175.04 2ckk s VAL 21 N 0.04 1.31 -0.11 2.92 -7.23 -0.36 -3.48 120.40 113.49 2ckk s VAL 21 Ca 0.24 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.34 2ckk s VAL 21 Cb -0.15 -2.41 -0.02 0.00 0.56 0.00 0.00 36.38 34.36 2ckk s VAL 21 CO 0.11 -0.30 -0.12 -0.75 -0.31 0.00 0.00 175.10 173.72 2ckk s LYS 22 N -3.80 3.20 -0.06 4.82 2.20 0.17 -0.71 119.74 125.56 2ckk s LYS 22 Ca 0.29 -0.67 -0.28 0.00 -0.36 0.00 0.00 55.97 54.95 2ckk s LYS 22 Cb 0.05 -2.60 -0.02 0.00 -1.51 0.00 0.00 37.83 33.74 2ckk s LYS 22 CO 0.10 0.32 0.93 0.42 -0.36 0.00 0.00 175.35 176.76 2ckk s ILE 23 N 0.07 4.87 -0.13 5.43 1.09 -0.26 -0.75 121.20 131.52 2ckk s ILE 23 Ca -0.05 1.92 0.14 0.00 -1.10 0.00 0.00 60.65 61.56 2ckk s ILE 23 Cb -0.14 -4.26 0.25 0.00 -1.06 0.00 0.00 42.46 37.25 2ckk s ILE 23 CO 0.04 0.11 1.15 2.30 -0.10 0.00 0.00 174.94 178.44 2ckk n ILE 24 N 4.16 1.70 -4.27 2.92 -5.35 -0.33 -0.29 119.36 117.90 2ckk n ILE 24 Ca 0.06 -1.89 -0.27 0.00 -0.27 0.00 0.00 62.75 60.37 2ckk n ILE 24 Cb 0.50 -0.05 -0.09 0.00 -1.74 0.00 0.00 39.64 38.26 2ckk n ILE 24 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2ckk s THR 25 N -2.38 3.28 -2.83 7.28 -1.32 -1.24 -4.92 115.64 113.53 2ckk s THR 25 Ca 0.25 -1.57 0.24 0.00 -1.21 0.00 0.00 61.69 59.40 2ckk s THR 25 Cb 0.22 -2.62 0.16 0.00 -1.51 0.00 0.00 72.50 68.74 2ckk s THR 25 CO 0.03 -0.08 1.23 0.29 -2.21 0.00 0.00 174.62 173.88 2ckk n LYS 26 N 0.11 2.13 0.27 7.08 5.02 -1.26 -3.94 118.16 127.57 2ckk n LYS 26 Ca -0.11 -1.77 0.15 0.00 -2.02 0.00 0.00 58.31 54.56 2ckk n LYS 26 Cb 0.55 -1.46 0.76 0.00 -0.02 0.00 0.00 35.03 34.86 2ckk n LYS 26 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2ckk h LYS 27 N 4.32 0.00 -0.58 1.97 1.57 -2.00 -0.55 116.57 121.29 2ckk h LYS 27 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ckk h LYS 27 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 2ckk h LYS 27 CO 0.00 0.09 0.00 1.28 -0.57 0.00 0.00 179.45 180.25 2ckk n LEU 28 N -3.43 3.58 0.00 2.94 4.77 -1.26 -5.02 117.00 118.58 2ckk n LEU 28 Ca -0.01 -1.97 0.00 0.00 -0.03 0.00 0.00 56.01 54.00 2ckk n LEU 28 Cb 0.25 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 2ckk n LEU 28 CO 0.28 0.89 0.00 0.61 -1.33 0.00 0.00 177.39 177.84 2ckk n GLY 29 N 1.25 3.74 0.30 -0.72 0.00 -0.21 -4.90 105.19 104.66 2ckk n GLY 29 Ca 0.20 -1.43 0.16 0.00 0.00 0.00 0.00 46.02 44.95 2ckk n GLY 29 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ckk h GLU 30 N 0.00 0.00 -0.96 1.61 3.07 -1.90 -2.42 114.58 113.98 2ckk h GLU 30 Ca 0.00 0.00 0.29 0.00 -0.50 0.00 0.00 59.36 59.15 2ckk h GLU 30 Cb 0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 27.76 2ckk h GLU 30 CO 0.00 0.00 0.43 -0.22 -1.40 0.00 0.00 179.01 177.83 2ckk h LYS 31 N 0.00 0.27 0.00 2.33 3.64 -1.93 -2.35 116.57 118.53 2ckk h LYS 31 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2ckk h LYS 31 Cb 0.01 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2ckk h LYS 31 CO 0.00 0.18 -0.66 0.66 -2.27 0.00 0.00 179.45 177.36 2ckk n TYR 32 N -5.12 0.07 -2.10 1.91 4.01 -0.91 -4.82 117.16 110.21 2ckk n TYR 32 Ca 0.28 0.02 -0.42 0.00 -0.16 0.00 0.00 57.90 57.62 2ckk n TYR 32 Cb 0.86 -0.26 -0.03 0.00 -0.31 0.00 0.00 39.34 39.60 2ckk n TYR 32 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 2ckk s HIS 33 N -3.04 2.97 -0.14 -0.72 2.46 -0.89 -1.88 115.29 114.05 2ckk s HIS 33 Ca 0.09 0.75 0.00 0.00 0.47 0.00 0.00 55.06 56.37 2ckk s HIS 33 Cb 0.17 -3.77 0.00 0.00 -0.13 0.00 0.00 32.58 28.85 2ckk s HIS 33 CO 0.74 -2.84 0.00 1.63 -2.47 0.00 0.00 174.74 171.80 2ckk n LYS 34 N 4.57 -0.80 -3.76 2.88 5.02 0.61 -5.02 118.16 121.66 2ckk n LYS 34 Ca 0.13 0.30 -0.32 0.00 -2.02 0.00 0.00 58.31 56.40 2ckk n LYS 34 Cb 0.42 -3.97 -0.05 0.00 -0.02 0.00 0.00 35.03 31.41 2ckk n LYS 34 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2ckk s LYS 35 N -1.13 3.56 0.35 1.97 -0.14 -0.79 -4.81 119.74 118.75 2ckk s LYS 35 Ca 0.00 -0.19 -0.08 0.00 -1.36 0.00 0.00 55.97 54.34 2ckk s LYS 35 Cb 0.00 -2.94 -0.06 0.00 -1.68 0.00 0.00 37.83 33.15 2ckk s LYS 35 CO 0.00 0.53 0.67 0.15 -0.76 0.00 0.00 175.35 175.95 2ckk s LYS 36 N -2.49 3.72 0.14 1.68 1.02 -1.26 -1.10 119.74 121.44 2ckk s LYS 36 Ca 0.37 0.26 -0.09 0.00 0.02 0.00 0.00 55.97 56.54 2ckk s LYS 36 Cb -0.13 -2.51 -0.01 0.00 -0.52 0.00 0.00 37.83 34.67 2ckk s LYS 36 CO 0.24 0.08 0.24 0.00 -0.92 0.00 0.00 175.35 175.00 2ckk s ALA 37 N -2.23 -0.03 -0.14 5.17 0.00 0.11 -1.20 121.76 123.44 2ckk s ALA 37 Ca 0.48 -0.83 -0.06 0.00 0.00 0.00 0.00 51.96 51.55 2ckk s ALA 37 Cb -0.10 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 2ckk s ALA 37 CO 0.30 -0.60 0.09 0.42 0.00 0.00 0.00 175.76 175.98 2ckk s ILE 38 N -3.94 5.06 -0.40 0.00 1.01 -0.08 -1.22 121.20 121.64 2ckk s ILE 38 Ca 0.14 0.05 -0.29 0.00 0.00 0.00 0.00 60.65 60.55 2ckk s ILE 38 Cb 0.04 -3.22 0.02 0.00 0.01 0.00 0.00 42.46 39.31 2ckk s ILE 38 CO -0.03 0.55 1.20 -0.69 0.00 0.00 0.00 174.94 175.97 2ckk s VAL 39 N -0.47 4.21 -0.01 2.92 1.01 -0.36 -0.75 120.40 126.95 2ckk s VAL 39 Ca 0.11 1.30 -0.01 0.00 0.00 0.00 0.00 61.98 63.38 2ckk s VAL 39 Cb -0.12 -4.42 -0.26 0.00 0.00 0.00 0.00 36.38 31.58 2ckk s VAL 39 CO 0.02 -0.76 0.79 0.11 0.00 0.00 0.00 175.10 175.26 2ckk h LYS 40 N 9.23 0.20 -2.22 2.72 1.79 -1.09 -0.16 116.57 127.05 2ckk h LYS 40 Ca -0.24 -0.34 -0.07 0.00 -2.18 0.00 0.00 60.65 57.82 2ckk h LYS 40 Cb 1.07 0.13 -0.20 0.00 -1.58 0.00 0.00 32.23 31.66 2ckk h LYS 40 CO 1.08 1.03 0.08 -2.00 -1.08 0.00 0.00 179.45 178.56 2ckk s GLU 41 N -2.61 0.94 -0.14 3.15 2.12 -1.10 -4.76 118.70 116.29 2ckk s GLU 41 Ca -0.09 0.29 -0.02 0.00 0.36 0.00 0.00 54.97 55.50 2ckk s GLU 41 Cb 0.07 0.44 -0.02 0.00 0.26 0.00 0.00 34.13 34.88 2ckk s GLU 41 CO 0.84 -0.26 -0.08 0.08 -0.54 0.00 0.00 175.26 175.30 2ckk s VAL 42 N -0.95 3.55 -0.17 3.70 1.01 -1.26 -0.56 120.40 125.73 2ckk s VAL 42 Ca -0.10 -0.48 -0.00 0.00 0.00 0.00 0.00 61.98 61.40 2ckk s VAL 42 Cb -0.02 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.84 2ckk s VAL 42 CO 0.07 0.51 -0.15 -0.63 0.00 0.00 0.00 175.10 174.90 2ckk s ILE 43 N 0.32 2.59 -1.31 2.22 1.01 0.63 -4.75 121.20 121.91 2ckk s ILE 43 Ca -0.06 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 59.76 2ckk s ILE 43 Cb -0.15 -2.11 -0.00 0.00 0.01 0.00 0.00 42.46 40.21 2ckk s ILE 43 CO 0.04 0.51 0.59 0.47 0.00 0.00 0.00 174.94 176.55 2ckk n ASP 44 N 4.32 -1.78 0.00 3.58 10.43 -1.26 -2.20 116.55 129.64 2ckk n ASP 44 Ca -0.19 -0.95 0.00 0.00 2.57 0.00 0.00 54.79 56.22 2ckk n ASP 44 Cb 0.51 -3.47 0.00 0.00 1.84 0.00 0.00 41.12 40.00 2ckk n ASP 44 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 2ckk n LYS 45 N -4.29 0.00 -0.00 -1.24 5.02 -1.26 -4.37 118.16 112.01 2ckk n LYS 45 Ca -0.26 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.13 2ckk n LYS 45 Cb 0.66 -0.08 -0.13 0.00 -0.02 0.00 0.00 35.03 35.47 2ckk n LYS 45 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2ckk n TYR 46 N 0.00 0.00 -4.94 2.13 4.01 -1.23 -4.39 117.16 112.74 2ckk n TYR 46 Ca 0.00 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.41 2ckk n TYR 46 Cb 0.00 -0.12 -0.15 0.00 -0.31 0.00 0.00 39.34 38.76 2ckk n TYR 46 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2ckk s THR 47 N -3.08 2.76 -0.07 -0.72 2.01 -0.94 -0.88 115.64 114.72 2ckk s THR 47 Ca 0.04 -0.79 -0.03 0.00 0.31 0.00 0.00 61.69 61.22 2ckk s THR 47 Cb 0.15 -2.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 2ckk s THR 47 CO 0.86 0.55 0.07 0.00 -0.69 0.00 0.00 174.62 175.40 2ckk s ALA 48 N 0.10 3.56 -0.32 7.40 0.00 0.27 -0.27 121.76 132.51 2ckk s ALA 48 Ca -0.08 -0.77 -0.13 0.00 0.00 0.00 0.00 51.96 50.98 2ckk s ALA 48 Cb -0.15 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.28 2ckk s ALA 48 CO 0.05 0.63 0.26 0.08 0.00 0.00 0.00 175.76 176.78 2ckk s VAL 49 N -1.02 5.26 0.19 0.00 1.01 0.28 -1.06 120.40 125.05 2ckk s VAL 49 Ca 0.17 -0.00 0.10 0.00 0.00 0.00 0.00 61.98 62.24 2ckk s VAL 49 Cb -0.12 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2ckk s VAL 49 CO 0.06 0.05 -0.13 0.68 0.00 0.00 0.00 175.10 175.76 2ckk s VAL 50 N 1.82 2.97 -0.20 2.92 -7.23 0.11 -0.44 120.40 120.35 2ckk s VAL 50 Ca 0.08 -1.76 0.01 0.00 -1.81 0.00 0.00 61.98 58.49 2ckk s VAL 50 Cb -0.17 -2.46 0.02 0.00 0.56 0.00 0.00 36.38 34.33 2ckk s VAL 50 CO 0.11 -0.12 -0.16 -0.75 -0.31 0.00 0.00 175.10 173.87 2ckk s LYS 51 N -2.80 2.90 0.29 4.82 2.20 0.07 -1.44 119.74 125.77 2ckk s LYS 51 Ca 0.24 -0.90 -0.29 0.00 -0.36 0.00 0.00 55.97 54.65 2ckk s LYS 51 Cb -0.08 -2.70 -0.10 0.00 -1.51 0.00 0.00 37.83 33.43 2ckk s LYS 51 CO 0.14 -0.28 1.41 -1.64 -0.36 0.00 0.00 175.35 174.62 2ckk s MET 52 N 1.28 4.27 0.14 4.03 -1.94 -0.09 -0.90 119.30 126.09 2ckk s MET 52 Ca 0.02 2.32 -0.14 0.00 -1.71 0.00 0.00 55.69 56.18 2ckk s MET 52 Cb -0.15 -3.08 0.00 0.00 2.01 0.00 0.00 34.83 33.62 2ckk s MET 52 CO -0.10 -0.37 1.63 0.82 -0.01 0.00 0.00 175.02 176.98 2ckk h ILE 53 N 3.34 1.24 0.10 2.53 2.04 -1.50 0.28 117.51 125.55 2ckk h ILE 53 Ca -0.47 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 64.51 2ckk h ILE 53 Cb 1.22 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 2ckk h ILE 53 CO 0.73 0.30 -0.05 0.44 0.00 0.00 0.00 178.15 179.57 2ckk h ASP 54 N 0.59 -0.12 1.37 1.72 5.19 -1.91 -3.36 116.42 119.90 2ckk h ASP 54 Ca 0.14 -0.23 -0.01 0.00 -0.62 0.00 0.00 57.03 56.30 2ckk h ASP 54 Cb 0.36 0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.90 2ckk h ASP 54 CO 0.01 0.46 -0.64 0.77 -3.12 0.00 0.00 179.24 176.72 2ckk h SER 55 N -1.00 0.00 0.00 6.45 4.64 -1.95 -3.47 113.55 118.22 2ckk h SER 55 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2ckk h SER 55 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2ckk h SER 55 CO 0.02 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 2ckk n GLY 56 N 1.16 0.73 3.76 -0.77 0.00 0.09 -5.00 105.19 105.17 2ckk n GLY 56 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 2ckk n GLY 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ckk s ASP 57 N -2.68 5.85 -0.15 1.61 1.01 -1.26 -4.46 116.67 116.59 2ckk s ASP 57 Ca 0.00 2.66 -0.11 0.00 0.71 0.00 0.00 52.55 55.81 2ckk s ASP 57 Cb 0.00 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 2ckk s ASP 57 CO 0.00 -1.17 0.21 -0.54 0.21 0.00 0.00 175.17 173.88 2ckk s LYS 58 N -2.60 4.02 0.05 8.23 -0.14 -1.26 -0.92 119.74 127.12 2ckk s LYS 58 Ca 0.64 -0.05 0.02 0.00 -1.36 0.00 0.00 55.97 55.22 2ckk s LYS 58 Cb -0.38 -3.35 -0.03 0.00 -1.68 0.00 0.00 37.83 32.39 2ckk s LYS 58 CO 0.47 0.42 -0.07 -0.51 -0.76 0.00 0.00 175.35 174.90 2ckk s LEU 59 N -0.03 2.32 -0.19 3.17 1.43 -0.52 -4.99 118.68 119.87 2ckk s LEU 59 Ca 0.14 -0.66 -0.03 0.00 -1.03 0.00 0.00 54.13 52.54 2ckk s LEU 59 Cb -0.12 -0.08 -0.02 0.00 0.03 0.00 0.00 46.19 46.00 2ckk s LEU 59 CO 0.02 -0.30 -0.05 -0.54 0.23 0.00 0.00 176.35 175.72 2ckk s LYS 60 N -2.16 3.47 -0.02 1.70 1.02 -1.26 -0.72 119.74 121.78 2ckk s LYS 60 Ca -0.05 -0.60 -0.02 0.00 0.02 0.00 0.00 55.97 55.32 2ckk s LYS 60 Cb -0.06 -2.95 0.01 0.00 -0.52 0.00 0.00 37.83 34.31 2ckk s LYS 60 CO -0.01 -0.02 0.06 -0.51 -0.92 0.00 0.00 175.35 173.94 2ckk s LEU 61 N 1.02 1.78 0.73 3.17 1.43 -0.23 -4.98 118.68 121.60 2ckk s LEU 61 Ca 0.00 0.11 -0.14 0.00 -1.03 0.00 0.00 54.13 53.07 2ckk s LEU 61 Cb -0.15 0.19 0.04 0.00 0.03 0.00 0.00 46.19 46.30 2ckk s LEU 61 CO 0.00 -0.02 1.18 -0.62 0.23 0.00 0.00 176.35 177.12 2ckk s ASP 62 N 0.04 4.32 0.53 2.29 2.15 -1.26 -0.56 116.67 124.19 2ckk s ASP 62 Ca -0.00 2.24 0.24 0.00 0.43 0.00 0.00 52.55 55.46 2ckk s ASP 62 Cb -0.01 -2.58 1.39 0.00 -0.30 0.00 0.00 42.92 41.43 2ckk s ASP 62 CO 0.00 -2.17 2.03 0.06 -0.17 0.00 0.00 175.17 174.92 2ckk h GLN 63 N -0.37 0.00 0.00 4.34 3.07 -1.38 -0.80 115.11 119.97 2ckk h GLN 63 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.27 2ckk h GLN 63 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.84 2ckk h GLN 63 CO 0.50 0.00 0.00 0.25 0.09 0.00 0.00 178.83 179.67 2ckk n THR 64 N -4.36 0.97 -0.38 1.86 -2.24 -1.26 -1.74 114.28 107.13 2ckk n THR 64 Ca 0.06 0.25 0.10 0.00 -2.27 0.00 0.00 64.05 62.20 2ckk n THR 64 Cb 0.48 -1.07 0.29 0.00 -2.10 0.00 0.00 70.33 67.92 2ckk n THR 64 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2ckk n HIS 65 N -1.75 0.93 -4.21 4.78 8.25 -0.31 -4.95 115.22 117.96 2ckk n HIS 65 Ca 0.03 -0.52 -0.17 0.00 -0.26 0.00 0.00 57.72 56.80 2ckk n HIS 65 Cb 0.18 -0.05 -0.11 0.00 1.12 0.00 0.00 29.99 31.13 2ckk n HIS 65 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2ckk s LEU 66 N -1.16 2.38 0.02 2.41 1.43 -0.71 -1.19 118.68 121.86 2ckk s LEU 66 Ca 0.43 -0.77 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 2ckk s LEU 66 Cb 0.24 -0.47 -0.01 0.00 0.03 0.00 0.00 46.19 45.98 2ckk s LEU 66 CO 0.28 -0.17 -0.08 -0.70 0.23 0.00 0.00 176.35 175.90 2ckk s GLU 67 N -2.52 0.59 0.75 1.70 2.12 0.07 -4.88 118.70 116.52 2ckk s GLU 67 Ca 0.06 -0.52 -0.13 0.00 0.36 0.00 0.00 54.97 54.74 2ckk s GLU 67 Cb -0.05 -0.50 0.05 0.00 0.26 0.00 0.00 34.13 33.88 2ckk s GLU 67 CO 0.02 0.12 1.12 0.95 -0.54 0.00 0.00 175.26 176.94 2ckk s THR 68 N -0.72 2.95 -0.18 -1.70 -4.23 -1.26 -0.65 115.64 109.84 2ckk s THR 68 Ca -0.02 0.38 -0.02 0.00 -1.18 0.00 0.00 61.69 60.84 2ckk s THR 68 Cb -0.06 -2.82 -0.01 0.00 1.34 0.00 0.00 72.50 70.95 2ckk s THR 68 CO 0.00 -0.34 -0.08 -0.69 -0.54 0.00 0.00 174.62 172.98 2ckk s VAL 69 N -2.52 3.26 -0.36 2.29 1.01 -1.23 -4.67 120.40 118.17 2ckk s VAL 69 Ca 0.66 -0.55 -0.14 0.00 0.00 0.00 0.00 61.98 61.95 2ckk s VAL 69 Cb -0.21 -2.44 -0.00 0.00 0.00 0.00 0.00 36.38 33.73 2ckk s VAL 69 CO 0.49 0.47 0.28 -0.63 0.00 0.00 0.00 175.10 175.71 2ckk s ILE 70 N 0.99 5.26 0.91 2.22 -1.09 -1.26 -0.56 121.20 127.67 2ckk s ILE 70 Ca -0.01 -0.32 -0.16 0.00 -2.23 0.00 0.00 60.65 57.94 2ckk s ILE 70 Cb -0.15 -3.80 0.21 0.00 -1.58 0.00 0.00 42.46 37.14 2ckk s ILE 70 CO -0.00 -0.12 1.24 -0.81 -1.23 0.00 0.00 174.94 174.02 2ckk n PRO 71 N 5.17 -1.22 -1.67 2.79 -0.04 -1.26 -5.00 135.00 133.77 2ckk n PRO 71 Ca -0.12 -1.92 -0.35 0.00 -0.04 0.00 0.00 63.50 61.08 2ckk n PRO 71 Cb 0.49 -1.28 0.07 0.00 -0.04 0.00 0.00 33.50 32.73 2ckk n PRO 71 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ckk s ALA 72 N -3.97 2.32 0.19 0.55 0.00 -1.26 -4.91 121.76 114.67 2ckk s ALA 72 Ca 0.70 0.85 -0.32 0.00 0.00 0.00 0.00 51.96 53.19 2ckk s ALA 72 Cb -0.02 -3.43 -0.15 0.00 0.00 0.00 0.00 23.12 19.51 2ckk s ALA 72 CO 0.49 -1.54 1.19 -2.30 0.00 0.00 0.00 175.76 173.60 2ckk n PRO 73 N -2.31 1.30 0.00 0.00 -0.02 -1.26 -1.81 135.00 130.89 2ckk n PRO 73 Ca 0.13 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2ckk n PRO 73 Cb 0.50 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 2ckk n PRO 73 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ckk n GLY 74 N 2.00 1.34 3.93 -1.23 0.00 0.47 -5.01 105.19 106.70 2ckk n GLY 74 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 2ckk n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ckk s LYS 75 N -0.87 3.54 0.07 1.61 -0.14 -0.75 -4.79 119.74 118.41 2ckk s LYS 75 Ca 0.00 -0.19 -0.23 0.00 -1.36 0.00 0.00 55.97 54.19 2ckk s LYS 75 Cb 0.00 -2.65 -0.06 0.00 -1.68 0.00 0.00 37.83 33.44 2ckk s LYS 75 CO 0.00 0.16 0.69 0.50 -0.76 0.00 0.00 175.35 175.94 2ckk s ARG 76 N -4.05 4.42 0.25 1.68 6.06 -1.26 -0.93 118.95 125.12 2ckk s ARG 76 Ca 0.42 0.95 0.09 0.00 -2.50 0.00 0.00 55.73 54.69 2ckk s ARG 76 Cb -0.10 -3.31 -0.05 0.00 0.06 0.00 0.00 34.95 31.55 2ckk s ARG 76 CO 0.34 0.45 -0.14 0.96 -2.50 0.00 0.00 175.30 174.41 2ckk s ILE 77 N -0.57 1.95 -0.12 4.11 -5.25 0.37 -1.76 121.20 119.93 2ckk s ILE 77 Ca 0.34 -2.25 -0.03 0.00 -0.99 0.00 0.00 60.65 57.73 2ckk s ILE 77 Cb -0.20 -2.23 -0.03 0.00 2.95 0.00 0.00 42.46 42.94 2ckk s ILE 77 CO 0.22 -0.46 -0.02 -0.22 -1.79 0.00 0.00 174.94 172.67 2ckk s LEU 78 N -3.41 3.43 -0.17 0.37 2.96 -0.04 -1.10 118.68 120.71 2ckk s LEU 78 Ca 0.26 0.02 -0.23 0.00 -0.22 0.00 0.00 54.13 53.96 2ckk s LEU 78 Cb -0.01 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 2ckk s LEU 78 CO 0.11 0.29 0.74 -0.69 -1.32 0.00 0.00 176.35 175.47 2ckk s VAL 79 N -0.33 4.95 -0.05 1.68 1.01 0.27 -1.91 120.40 126.01 2ckk s VAL 79 Ca 0.06 1.44 0.22 0.00 0.00 0.00 0.00 61.98 63.70 2ckk s VAL 79 Cb -0.12 -4.05 -0.32 0.00 0.00 0.00 0.00 36.38 31.88 2ckk s VAL 79 CO 0.02 0.08 0.46 0.18 0.00 0.00 0.00 175.10 175.84 2ckk n LEU 80 N 5.05 0.03 -3.53 3.92 4.77 0.95 -0.94 117.00 127.26 2ckk n LEU 80 Ca 0.02 0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 55.91 2ckk n LEU 80 Cb 0.49 0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 2ckk n LEU 80 CO 0.46 0.04 0.45 0.21 -1.33 0.00 0.00 177.39 177.23 2ckk s ASN 81 N -4.64 -0.47 0.08 -1.43 3.84 -1.21 -4.84 114.94 106.27 2ckk s ASN 81 Ca -0.08 -0.14 0.00 0.00 0.21 0.00 0.00 52.86 52.86 2ckk s ASN 81 Cb 0.13 0.60 0.00 0.00 -0.55 0.00 0.00 41.25 41.43 2ckk s ASN 81 CO 0.90 -1.01 0.00 0.61 -2.79 0.00 0.00 177.10 174.81 2ckk n GLY 82 N -0.38 -2.12 0.30 1.21 0.00 -0.49 -4.08 105.19 99.63 2ckk n GLY 82 Ca -0.13 -1.44 0.19 0.00 0.00 0.00 0.00 46.02 44.64 2ckk n GLY 82 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ckk h GLY 83 N -0.14 0.00 -1.19 -0.02 0.00 -2.01 -1.21 103.07 98.51 2ckk h GLY 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2ckk h GLY 83 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 2ckk n TYR 84 N -3.10 0.34 -1.65 5.60 4.01 -1.26 -4.99 117.16 116.10 2ckk n TYR 84 Ca -0.01 -0.17 -0.41 0.00 -0.16 0.00 0.00 57.90 57.15 2ckk n TYR 84 Cb 0.21 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.25 2ckk n TYR 84 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 2ckk n ARG 85 N 0.58 1.61 0.00 -0.72 1.85 -0.46 -2.18 116.66 117.35 2ckk n ARG 85 Ca 0.16 0.58 0.00 0.00 -1.00 0.00 0.00 57.85 57.58 2ckk n ARG 85 Cb 0.37 -2.19 0.00 0.00 -1.05 0.00 0.00 32.46 29.59 2ckk n ARG 85 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2ckk n GLY 86 N 1.01 2.53 3.86 2.89 0.00 -0.11 -4.98 105.19 110.39 2ckk n GLY 86 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 2ckk n GLY 86 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ckk s ASN 87 N -1.65 6.53 0.30 1.61 -0.87 -0.92 -4.86 114.94 115.08 2ckk s ASN 87 Ca 0.00 1.31 0.01 0.00 -1.57 0.00 0.00 52.86 52.62 2ckk s ASN 87 Cb 0.00 -2.40 -0.03 0.00 -0.02 0.00 0.00 41.25 38.80 2ckk s ASN 87 CO 0.00 -0.51 0.48 -1.61 -2.57 0.00 0.00 177.10 172.89 2ckk s GLU 88 N -4.05 3.48 0.27 -0.60 2.02 -1.26 -0.57 118.70 118.00 2ckk s GLU 88 Ca 0.54 -0.44 -0.11 0.00 0.02 0.00 0.00 54.97 54.98 2ckk s GLU 88 Cb -0.10 -2.75 0.00 0.00 0.10 0.00 0.00 34.13 31.38 2ckk s GLU 88 CO 0.33 0.26 0.50 0.20 0.02 0.00 0.00 175.26 176.57 2ckk s GLY 89 N -3.89 0.68 -0.18 -1.39 0.00 -0.26 -0.68 107.32 101.60 2ckk s GLY 89 Ca 0.38 -0.97 -0.04 0.00 0.00 0.00 0.00 44.72 44.09 2ckk s GLY 89 CO 0.33 -0.67 -0.03 -1.59 0.00 0.00 0.00 173.10 171.14 2ckk s THR 90 N -3.76 3.82 -0.00 0.90 2.01 0.03 -0.48 115.64 118.15 2ckk s THR 90 Ca 0.23 -0.37 -0.30 0.00 0.31 0.00 0.00 61.69 61.56 2ckk s THR 90 Cb -0.01 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.75 2ckk s THR 90 CO 0.11 0.47 1.41 -0.22 -0.69 0.00 0.00 174.62 175.69 2ckk s LEU 91 N 0.68 4.31 -0.27 4.42 1.98 -0.11 -1.20 118.68 128.50 2ckk s LEU 91 Ca -0.02 2.11 -0.09 0.00 -2.89 0.00 0.00 54.13 53.25 2ckk s LEU 91 Cb -0.14 -3.56 -0.14 0.00 0.66 0.00 0.00 46.19 43.00 2ckk s LEU 91 CO 0.02 -0.73 -0.27 1.21 -1.89 0.00 0.00 176.35 174.69 2ckk n GLU 92 N 5.44 0.61 -3.65 1.98 2.13 0.32 -0.39 120.64 127.08 2ckk n GLU 92 Ca 0.13 0.24 -0.08 0.00 0.66 0.00 0.00 57.16 58.11 2ckk n GLU 92 Cb 0.44 -1.52 -0.02 0.00 0.27 0.00 0.00 31.44 30.61 2ckk n GLU 92 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2ckk s SER 93 N -7.16 -0.37 0.18 4.31 1.04 -1.08 -4.72 113.70 105.90 2ckk s SER 93 Ca -0.37 -0.30 0.10 0.00 0.48 0.00 0.00 55.95 55.86 2ckk s SER 93 Cb 0.12 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.81 2ckk s SER 93 CO 0.54 -1.07 -0.21 0.27 0.98 0.00 0.00 173.24 173.75 2ckk s ILE 94 N -3.68 2.08 -0.39 -1.02 -4.36 -1.26 -0.69 121.20 111.88 2ckk s ILE 94 Ca 0.07 -1.99 0.02 0.00 -0.26 0.00 0.00 60.65 58.50 2ckk s ILE 94 Cb -0.03 -1.98 0.11 0.00 1.25 0.00 0.00 42.46 41.81 2ckk s ILE 94 CO -0.02 -0.23 0.15 0.21 0.24 0.00 0.00 174.94 175.29 2ckk s ASN 95 N -2.70 4.23 0.30 4.36 3.84 0.89 -4.96 114.94 120.90 2ckk s ASN 95 Ca 0.18 -2.32 -0.02 0.00 0.21 0.00 0.00 52.86 50.92 2ckk s ASN 95 Cb -0.07 -1.30 0.44 0.00 -0.55 0.00 0.00 41.25 39.77 2ckk s ASN 95 CO 0.08 -0.33 1.96 -0.33 -2.79 0.00 0.00 177.10 175.69 2ckk h GLU 96 N 7.29 1.10 -0.46 0.43 4.39 -1.97 -2.20 114.58 123.16 2ckk h GLU 96 Ca -0.06 -0.07 0.07 0.00 0.34 0.00 0.00 59.36 59.64 2ckk h GLU 96 Cb 0.97 -0.25 -0.03 0.00 -0.10 0.00 0.00 28.75 29.35 2ckk h GLU 96 CO 0.53 0.73 0.31 -0.22 -1.16 0.00 0.00 179.01 179.20 2ckk h LYS 97 N 1.13 0.32 -0.29 2.33 3.11 -1.94 -1.80 116.57 119.42 2ckk h LYS 97 Ca 0.31 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.14 2ckk h LYS 97 Cb -0.11 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.05 2ckk h LYS 97 CO -0.07 0.21 0.00 0.25 -2.81 0.00 0.00 179.45 177.03 2ckk n THR 98 N -4.47 1.79 -4.05 1.00 -2.24 -0.98 -4.97 114.28 100.35 2ckk n THR 98 Ca 0.06 -1.54 -0.28 0.00 -2.27 0.00 0.00 64.05 60.03 2ckk n THR 98 Cb 0.29 0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.53 2ckk n THR 98 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2ckk n PHE 99 N -0.12 -1.60 -4.11 4.78 3.72 -0.68 -4.89 117.46 114.57 2ckk n PHE 99 Ca 0.17 0.73 -0.11 0.00 -0.05 0.00 0.00 57.45 58.20 2ckk n PHE 99 Cb 0.71 -3.47 -0.09 0.00 -0.94 0.00 0.00 39.48 35.70 2ckk n PHE 99 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2ckk s SER 100 N -4.21 0.11 0.06 4.37 1.04 -0.87 -0.85 113.70 113.35 2ckk s SER 100 Ca 0.12 -1.17 -0.00 0.00 0.48 0.00 0.00 55.95 55.37 2ckk s SER 100 Cb -0.06 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 2ckk s SER 100 CO 0.91 -0.89 -0.04 0.00 0.98 0.00 0.00 173.24 174.21 2ckk s ALA 101 N -4.08 0.59 -0.15 5.32 0.00 0.50 -0.08 121.76 123.86 2ckk s ALA 101 Ca 0.29 -1.21 -0.04 0.00 0.00 0.00 0.00 51.96 51.00 2ckk s ALA 101 Cb 0.05 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 2ckk s ALA 101 CO 0.07 -0.33 -0.02 0.99 0.00 0.00 0.00 175.76 176.47 2ckk s THR 102 N -3.76 4.02 0.21 0.00 2.01 0.13 -0.99 115.64 117.27 2ckk s THR 102 Ca 0.07 -0.32 0.07 0.00 0.31 0.00 0.00 61.69 61.82 2ckk s THR 102 Cb 0.07 -2.76 -0.05 0.00 0.01 0.00 0.00 72.50 69.77 2ckk s THR 102 CO -0.09 0.50 -0.11 0.27 -0.69 0.00 0.00 174.62 174.50 2ckk s ILE 103 N 0.27 1.57 -0.19 1.82 -4.36 -0.33 -0.52 121.20 119.47 2ckk s ILE 103 Ca -0.02 -2.16 -0.03 0.00 -0.26 0.00 0.00 60.65 58.18 2ckk s ILE 103 Cb -0.14 -2.10 -0.02 0.00 1.25 0.00 0.00 42.46 41.46 2ckk s ILE 103 CO 0.03 -0.56 -0.05 -0.69 0.24 0.00 0.00 174.94 173.91 2ckk s VAL 104 N -3.08 3.49 0.21 8.37 1.01 -0.34 -0.41 120.40 129.65 2ckk s VAL 104 Ca 0.23 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 2ckk s VAL 104 Cb 0.01 -2.55 -0.09 0.00 0.00 0.00 0.00 36.38 33.75 2ckk s VAL 104 CO 0.07 0.46 1.40 -0.63 0.00 0.00 0.00 175.10 176.39 2ckk s ILE 105 N 0.97 2.93 -0.73 2.22 -1.09 0.06 -0.79 121.20 124.76 2ckk s ILE 105 Ca -0.00 0.74 0.08 0.00 -2.23 0.00 0.00 60.65 59.24 2ckk s ILE 105 Cb -0.15 -3.48 0.00 0.00 -1.58 0.00 0.00 42.46 37.26 2ckk s ILE 105 CO 0.01 0.10 0.57 -0.62 -1.23 0.00 0.00 174.94 173.77 2ckk n GLU 106 N 2.79 2.01 -4.20 2.79 -0.58 0.14 0.14 120.64 123.73 2ckk n GLU 106 Ca 0.08 -0.57 -0.12 0.00 -0.42 0.00 0.00 57.16 56.12 2ckk n GLU 106 Cb 0.41 -1.02 -0.10 0.00 -0.57 0.00 0.00 31.44 30.16 2ckk n GLU 106 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2ckk s THR 107 N -1.10 0.88 0.01 2.62 -4.23 -1.24 -4.88 115.64 107.71 2ckk s THR 107 Ca 0.07 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 2ckk s THR 107 Cb 0.06 -1.71 0.00 0.00 1.34 0.00 0.00 72.50 72.20 2ckk s THR 107 CO 0.18 -0.80 0.00 0.61 -0.54 0.00 0.00 174.62 174.07 2ckk n GLY 108 N -0.04 -1.96 0.27 3.99 0.00 -1.26 -3.23 105.19 102.96 2ckk n GLY 108 Ca -0.12 -1.38 0.15 0.00 0.00 0.00 0.00 46.02 44.67 2ckk n GLY 108 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ckk h PRO 109 N 0.00 0.00 -0.65 1.61 0.11 -2.02 -2.10 132.00 128.94 2ckk h PRO 109 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2ckk h PRO 109 Cb 0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.16 2ckk h PRO 109 CO 0.00 0.09 0.00 1.28 -0.21 0.00 0.00 178.00 179.16 2ckk n LEU 110 N -3.43 4.26 -4.57 2.35 4.77 -1.26 -4.97 117.00 114.16 2ckk n LEU 110 Ca -0.01 -2.15 -0.55 0.00 -0.03 0.00 0.00 56.01 53.27 2ckk n LEU 110 Cb 0.24 -0.54 -0.07 0.00 -2.33 0.00 0.00 43.42 40.73 2ckk n LEU 110 CO 0.28 0.78 0.82 1.17 -1.33 0.00 0.00 177.39 179.11 2ckk n LYS 111 N 1.12 0.75 0.00 3.23 4.81 -0.79 -1.13 118.16 126.15 2ckk n LYS 111 Ca 0.24 0.27 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 2ckk n LYS 111 Cb 0.78 -1.87 0.00 0.00 0.02 0.00 0.00 35.03 33.96 2ckk n LYS 111 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ckk n GLY 112 N 2.30 1.63 3.71 3.14 0.00 0.12 -4.98 105.19 111.12 2ckk n GLY 112 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2ckk n GLY 112 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ckk s ARG 113 N -0.92 4.37 -0.24 1.61 3.52 -0.28 -4.74 118.95 122.26 2ckk s ARG 113 Ca 0.00 1.93 -0.21 0.00 -0.13 0.00 0.00 55.73 57.32 2ckk s ARG 113 Cb 0.00 -3.30 -0.02 0.00 -1.56 0.00 0.00 34.95 30.07 2ckk s ARG 113 CO 0.00 -0.36 0.67 0.50 -0.81 0.00 0.00 175.30 175.29 2ckk s ARG 114 N 1.13 4.14 -0.28 5.12 3.52 -1.26 -0.76 118.95 130.55 2ckk s ARG 114 Ca 0.62 0.63 -0.01 0.00 -0.13 0.00 0.00 55.73 56.84 2ckk s ARG 114 Cb -0.33 -3.64 0.05 0.00 -1.56 0.00 0.00 34.95 29.46 2ckk s ARG 114 CO 0.30 -0.41 -0.03 0.08 -0.81 0.00 0.00 175.30 174.43 2ckk s VAL 115 N 2.48 2.85 0.19 7.11 1.01 0.46 -4.99 120.40 129.51 2ckk s VAL 115 Ca 0.28 -1.33 -0.11 0.00 0.00 0.00 0.00 61.98 60.82 2ckk s VAL 115 Cb -0.15 -2.59 -0.07 0.00 0.00 0.00 0.00 36.38 33.56 2ckk s VAL 115 CO 0.09 -0.02 0.54 -1.61 0.00 0.00 0.00 175.10 174.09 2ckk s GLU 116 N 1.25 3.85 0.00 2.72 2.02 -1.26 -1.19 118.70 126.09 2ckk s GLU 116 Ca -0.04 0.33 0.00 0.00 0.02 0.00 0.00 54.97 55.27 2ckk s GLU 116 Cb -0.19 -2.75 0.00 0.00 0.10 0.00 0.00 34.13 31.29 2ckk s GLU 116 CO -0.02 0.38 0.00 0.41 0.02 0.00 0.00 175.26 176.05 2ckk n GLY 117 N 0.21 0.42 3.71 -1.39 0.00 -0.49 -4.95 105.19 102.70 2ckk n GLY 117 Ca -0.02 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 2ckk n GLY 117 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2ckk s ILE 118 N -2.00 4.43 0.37 -0.61 2.07 -0.16 -4.74 121.20 120.56 2ckk s ILE 118 Ca 0.00 1.79 -0.27 0.00 -1.41 0.00 0.00 60.65 60.75 2ckk s ILE 118 Cb 0.00 -4.14 -0.10 0.00 0.13 0.00 0.00 42.46 38.35 2ckk s ILE 118 CO 0.00 0.16 1.34 -1.10 -1.91 0.00 0.00 174.94 173.44 2ckk s GLN 119 N 0.84 4.13 0.31 3.50 -0.21 -1.26 -0.37 119.66 126.59 2ckk s GLN 119 Ca 0.54 2.27 0.07 0.00 0.02 0.00 0.00 55.36 58.25 2ckk s GLN 119 Cb -0.25 -2.91 0.78 0.00 1.00 0.00 0.00 33.01 31.63 2ckk s GLN 119 CO 0.29 -0.39 1.76 1.88 -2.12 0.00 0.00 175.29 176.70 2ckk h TYR 120 N 3.00 1.03 0.00 0.91 0.05 -1.32 -0.31 116.97 120.33 2ckk h TYR 120 Ca -0.50 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.32 2ckk h TYR 120 Cb 1.24 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 38.67 2ckk h TYR 120 CO 0.54 0.17 0.00 1.05 -1.05 0.00 0.00 178.16 178.87 2ckk h GLU 121 N 0.69 0.00 -0.02 4.88 4.11 -1.90 -2.59 114.58 119.74 2ckk h GLU 121 Ca 0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.03 2ckk h GLU 121 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2ckk h GLU 121 CO -0.42 0.00 -0.09 -0.25 0.07 0.00 0.00 179.01 178.32 2ckk n ASP 122 N -3.06 2.39 -4.09 3.06 8.00 -0.13 -4.90 116.55 117.83 2ckk n ASP 122 Ca -0.02 -1.75 -0.09 0.00 0.71 0.00 0.00 54.79 53.65 2ckk n ASP 122 Cb 0.13 0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 41.21 2ckk n ASP 122 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2ckk s ILE 123 N -2.10 0.33 0.00 0.53 -4.36 -0.98 -0.03 121.20 114.59 2ckk s ILE 123 Ca 0.29 -1.63 -0.20 0.00 -0.26 0.00 0.00 60.65 58.85 2ckk s ILE 123 Cb 0.20 -1.27 0.04 0.00 1.25 0.00 0.00 42.46 42.68 2ckk s ILE 123 CO 0.36 -0.84 0.45 -0.55 0.24 0.00 0.00 174.94 174.60 2ckk s SER 124 N -2.59 -0.35 0.19 4.36 0.15 -0.81 -4.57 113.70 110.07 2ckk s SER 124 Ca 0.03 0.22 -0.33 0.00 0.70 0.00 0.00 55.95 56.57 2ckk s SER 124 Cb 0.03 0.42 -0.14 0.00 -1.71 0.00 0.00 66.02 64.61 2ckk s SER 124 CO -0.06 -0.58 1.41 1.17 1.20 0.00 0.00 173.24 176.38 2ckk n LYS 125 N 0.88 1.81 -2.85 5.44 4.81 0.28 -0.86 118.16 127.67 2ckk n LYS 125 Ca -0.20 0.65 -0.40 0.00 -0.87 0.00 0.00 58.31 57.49 2ckk n LYS 125 Cb 0.58 -2.31 -0.05 0.00 0.02 0.00 0.00 35.03 33.26 2ckk n LYS 125 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2ckk s LEU 126 N 0.47 4.54 0.00 3.14 1.43 -0.72 -0.81 118.68 126.73 2ckk s LEU 126 Ca 0.74 1.71 0.10 0.00 -1.03 0.00 0.00 54.13 55.66 2ckk s LEU 126 Cb -0.73 -3.45 0.59 0.00 0.03 0.00 0.00 46.19 42.64 2ckk s LEU 126 CO 0.46 0.06 1.04 0.00 0.23 0.00 0.00 176.35 178.14