#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ku1 s ILE 2 N 0.00 5.19 0.74 1.12 -1.16 -1.26 -5.04 121.20 120.80 3ku1 s ILE 2 Ca 0.00 0.83 -0.17 0.00 -0.51 0.00 0.00 60.65 60.80 3ku1 s ILE 2 Cb 0.00 -3.75 -0.10 0.00 0.61 0.00 0.00 42.46 39.22 3ku1 s ILE 2 CO 0.00 0.38 -0.05 -0.24 -2.81 0.00 0.00 174.94 172.23 3ku1 n SER 3 N 3.34 -3.35 0.01 4.50 2.88 -1.26 -4.74 113.62 115.00 3ku1 n SER 3 Ca -0.09 0.49 -0.16 0.00 -1.33 0.00 0.00 58.87 57.77 3ku1 n SER 3 Cb 0.52 -0.97 -0.05 0.00 -0.75 0.00 0.00 64.21 62.95 3ku1 n SER 3 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3ku1 h LYS 4 N -0.49 0.68 0.35 -1.46 1.57 -1.98 -1.46 116.57 113.78 3ku1 h LYS 4 Ca -0.44 -0.59 -0.02 0.00 -1.87 0.00 0.00 60.65 57.74 3ku1 h LYS 4 Cb 1.36 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.81 3ku1 h LYS 4 CO 0.37 1.20 -0.19 -0.09 -0.57 0.00 0.00 179.45 180.16 3ku1 h ARG 5 N 0.45 -0.48 -0.51 3.15 2.43 -1.93 -2.25 114.38 115.23 3ku1 h ARG 5 Ca -0.06 0.03 0.15 0.00 -0.81 0.00 0.00 59.98 59.29 3ku1 h ARG 5 Cb 1.44 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 31.08 3ku1 h ARG 5 CO 0.16 -0.32 0.72 -0.07 -1.51 0.00 0.00 179.97 178.95 3ku1 h LEU 6 N -0.50 0.00 -0.17 3.80 3.38 -1.94 0.15 115.31 120.03 3ku1 h LEU 6 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3ku1 h LEU 6 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3ku1 h LEU 6 CO 0.06 0.00 0.09 -0.08 0.09 0.00 0.00 178.44 178.60 3ku1 h GLU 7 N 0.00 0.23 0.51 1.13 4.57 -0.67 -2.26 114.58 118.09 3ku1 h GLU 7 Ca 0.24 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.37 3ku1 h GLU 7 Cb 1.68 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 30.23 3ku1 h GLU 7 CO -0.00 0.24 -0.24 1.25 -1.18 0.00 0.00 179.01 179.07 3ku1 h LEU 8 N 0.16 -0.58 -0.48 1.64 5.85 -0.36 -1.82 115.31 119.72 3ku1 h LEU 8 Ca 0.06 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.78 3ku1 h LEU 8 Cb 0.07 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 3ku1 h LEU 8 CO -0.01 -0.18 -0.28 0.52 -0.34 0.00 0.00 178.44 178.15 3ku1 n VAL 9 N -5.25 -0.33 -0.29 1.05 0.31 -1.05 0.01 118.33 112.79 3ku1 n VAL 9 Ca -0.10 1.58 0.12 0.00 -0.01 0.00 0.00 64.34 65.93 3ku1 n VAL 9 Cb 0.30 -2.00 0.27 0.00 -0.91 0.00 0.00 33.84 31.50 3ku1 n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ku1 h ALA 10 N -0.04 1.20 -0.14 3.52 0.00 -1.28 -0.10 119.26 122.43 3ku1 h ALA 10 Ca 0.08 0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.25 3ku1 h ALA 10 Cb 0.20 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3ku1 h ALA 10 CO -0.45 -0.45 0.23 0.66 0.00 0.00 0.00 179.25 179.23 3ku1 h SER 11 N 0.20 0.00 -0.38 0.00 4.64 0.47 -0.60 113.55 117.89 3ku1 h SER 11 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 3ku1 h SER 11 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3ku1 h SER 11 CO -0.65 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 175.80 3ku1 n PHE 12 N -3.47 0.50 -3.20 4.77 3.72 -0.05 -4.88 117.46 114.84 3ku1 n PHE 12 Ca 0.01 -0.25 -0.41 0.00 -0.05 0.00 0.00 57.45 56.75 3ku1 n PHE 12 Cb 0.33 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.80 3ku1 n PHE 12 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3ku1 s VAL 13 N -1.50 5.02 -0.38 -4.37 1.01 -0.23 -4.97 120.40 114.98 3ku1 s VAL 13 Ca 0.35 0.76 -0.42 0.00 0.00 0.00 0.00 61.98 62.67 3ku1 s VAL 13 Cb 0.19 -3.91 -0.17 0.00 0.00 0.00 0.00 36.38 32.49 3ku1 s VAL 13 CO 0.26 -0.05 1.77 -1.20 0.00 0.00 0.00 175.10 175.89 3ku1 n SER 14 N 5.69 1.85 -4.66 3.32 7.64 -1.26 -4.87 113.62 121.33 3ku1 n SER 14 Ca -0.03 1.02 -0.59 0.00 1.01 0.00 0.00 58.87 60.28 3ku1 n SER 14 Cb 0.49 -1.05 -0.08 0.00 -1.01 0.00 0.00 64.21 62.57 3ku1 n SER 14 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 3ku1 n GLN 15 N 5.38 0.68 -0.04 1.43 -0.06 -1.26 -1.91 117.38 121.59 3ku1 n GLN 15 Ca 0.32 0.25 0.00 0.00 -2.00 0.00 0.00 57.00 55.56 3ku1 n GLN 15 Cb 0.06 -1.85 0.00 0.00 -4.06 0.00 0.00 30.24 24.40 3ku1 n GLN 15 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3ku1 n GLY 16 N 3.35 0.77 3.34 1.69 0.00 0.17 -5.00 105.19 109.51 3ku1 n GLY 16 Ca 0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 3ku1 n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ku1 n ALA 17 N -1.42 -3.75 -3.81 4.61 0.00 -0.80 -3.80 120.51 111.53 3ku1 n ALA 17 Ca 0.00 -1.46 -0.34 0.00 0.00 0.00 0.00 53.44 51.64 3ku1 n ALA 17 Cb 0.00 -1.75 -0.14 0.00 0.00 0.00 0.00 19.45 17.55 3ku1 n ALA 17 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ku1 s ILE 18 N -2.27 2.67 0.09 0.00 1.01 -1.26 -1.06 121.20 120.38 3ku1 s ILE 18 Ca 0.65 -1.44 -0.09 0.00 0.00 0.00 0.00 60.65 59.77 3ku1 s ILE 18 Cb -0.19 -2.53 -0.06 0.00 0.01 0.00 0.00 42.46 39.69 3ku1 s ILE 18 CO 0.62 -0.04 0.40 -0.22 0.00 0.00 0.00 174.94 175.70 3ku1 s LEU 19 N 1.20 4.34 -0.16 2.97 2.96 -1.01 -1.61 118.68 127.37 3ku1 s LEU 19 Ca -0.06 0.78 0.02 0.00 -0.22 0.00 0.00 54.13 54.64 3ku1 s LEU 19 Cb -0.19 -3.03 0.02 0.00 0.50 0.00 0.00 46.19 43.48 3ku1 s LEU 19 CO -0.03 0.15 -0.20 -0.22 -1.32 0.00 0.00 176.35 174.73 3ku1 s LEU 20 N -2.00 2.09 -0.20 -0.68 2.96 -0.10 -0.82 118.68 119.92 3ku1 s LEU 20 Ca 0.34 -0.62 -0.03 0.00 -0.22 0.00 0.00 54.13 53.60 3ku1 s LEU 20 Cb -0.14 -1.44 -0.01 0.00 0.50 0.00 0.00 46.19 45.10 3ku1 s LEU 20 CO 0.19 0.03 -0.05 -0.62 -1.32 0.00 0.00 176.35 174.58 3ku1 s ASP 21 N 1.08 4.32 -0.31 3.68 2.15 -0.09 -0.72 116.67 126.78 3ku1 s ASP 21 Ca -0.01 -0.36 -0.09 0.00 0.43 0.00 0.00 52.55 52.52 3ku1 s ASP 21 Cb -0.14 -1.73 -0.00 0.00 -0.30 0.00 0.00 42.92 40.74 3ku1 s ASP 21 CO -0.08 0.02 0.15 -0.69 -0.17 0.00 0.00 175.17 174.40 3ku1 s VAL 22 N 1.25 4.54 -0.52 1.11 1.01 -0.75 -1.23 120.40 125.81 3ku1 s VAL 22 Ca 0.03 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 3ku1 s VAL 22 Cb -0.14 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.90 3ku1 s VAL 22 CO -0.02 0.04 0.42 0.61 0.00 0.00 0.00 175.10 176.16 3ku1 n GLY 23 N 4.97 0.38 3.54 4.51 0.00 0.34 -4.39 105.19 114.54 3ku1 n GLY 23 Ca -0.14 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 3ku1 n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ku1 s SER 24 N -3.10 6.37 0.72 1.61 1.04 -1.22 -4.89 113.70 114.23 3ku1 s SER 24 Ca 0.21 -1.10 -0.11 0.00 0.48 0.00 0.00 55.95 55.43 3ku1 s SER 24 Cb -0.09 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.50 3ku1 s SER 24 CO 0.26 -1.59 1.07 1.51 0.98 0.00 0.00 173.24 175.47 3ku1 s ASP 25 N 4.35 5.21 0.00 7.02 1.47 -1.26 -2.96 116.67 130.49 3ku1 s ASP 25 Ca 0.39 1.50 0.00 0.00 1.18 0.00 0.00 52.55 55.62 3ku1 s ASP 25 Cb -0.04 -2.34 0.00 0.00 -0.34 0.00 0.00 42.92 40.19 3ku1 s ASP 25 CO 0.00 -1.54 0.00 1.41 0.68 0.00 0.00 175.17 175.73 3ku1 n HIS 26 N -3.18 0.00 -1.85 2.11 8.25 -1.26 -3.76 115.22 115.53 3ku1 n HIS 26 Ca 0.07 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.37 3ku1 n HIS 26 Cb 0.54 -1.02 -0.04 0.00 1.12 0.00 0.00 29.99 30.59 3ku1 n HIS 26 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ku1 n ALA 27 N 0.86 -0.43 -0.02 -1.41 0.00 -1.16 -4.71 120.51 113.64 3ku1 n ALA 27 Ca 0.00 0.21 -0.11 0.00 0.00 0.00 0.00 53.44 53.54 3ku1 n ALA 27 Cb 0.00 -1.70 -0.05 0.00 0.00 0.00 0.00 19.45 17.71 3ku1 n ALA 27 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3ku1 h TYR 28 N 0.00 0.19 0.84 0.00 0.05 -1.88 -0.73 116.97 115.43 3ku1 h TYR 28 Ca -0.35 -0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.39 3ku1 h TYR 28 Cb 1.14 -0.06 0.01 0.00 1.01 0.00 0.00 36.73 38.82 3ku1 h TYR 28 CO 0.53 0.16 -0.40 1.25 -1.05 0.00 0.00 178.16 178.64 3ku1 h LEU 29 N 0.16 -0.96 -1.36 3.88 5.85 -1.88 0.12 115.31 121.11 3ku1 h LEU 29 Ca 0.05 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.91 3ku1 h LEU 29 Cb 0.03 0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 3ku1 h LEU 29 CO -0.01 -0.67 0.52 1.55 -0.34 0.00 0.00 178.44 179.49 3ku1 h PRO 30 N -1.15 0.66 -0.14 5.25 0.13 -1.98 -1.80 132.00 132.98 3ku1 h PRO 30 Ca -0.12 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.96 3ku1 h PRO 30 Cb 0.87 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 3ku1 h PRO 30 CO 0.19 0.44 0.01 0.82 -0.23 0.00 0.00 178.00 179.23 3ku1 h ILE 31 N 0.68 1.23 -0.94 -3.56 2.04 -0.45 0.46 117.51 116.97 3ku1 h ILE 31 Ca 0.38 -0.76 0.08 0.00 1.00 0.00 0.00 64.86 65.57 3ku1 h ILE 31 Cb 0.54 1.48 -0.07 0.00 -0.74 0.00 0.00 36.82 38.02 3ku1 h ILE 31 CO -0.15 0.22 0.59 -0.08 0.00 0.00 0.00 178.15 178.73 3ku1 h GLU 32 N -0.01 0.99 -0.25 2.37 4.57 -0.62 -1.70 114.58 119.92 3ku1 h GLU 32 Ca 0.04 -0.06 -0.20 0.00 -1.18 0.00 0.00 59.36 57.96 3ku1 h GLU 32 Cb 0.33 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 3ku1 h GLU 32 CO 0.00 0.66 -0.61 -0.07 -1.18 0.00 0.00 179.01 177.81 3ku1 h LEU 33 N 1.02 0.97 -0.96 1.64 3.38 -0.38 -1.81 115.31 119.17 3ku1 h LEU 33 Ca 0.43 -0.55 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3ku1 h LEU 33 Cb 0.29 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3ku1 h LEU 33 CO -0.21 1.35 0.29 0.58 0.09 0.00 0.00 178.44 180.54 3ku1 h VAL 34 N 0.64 1.24 -0.48 1.22 2.07 -0.79 -2.29 116.25 117.86 3ku1 h VAL 34 Ca -0.00 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 3ku1 h VAL 34 Cb 1.22 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3ku1 h VAL 34 CO 0.13 0.30 0.16 -0.33 0.02 0.00 0.00 177.57 177.85 3ku1 h GLU 35 N 1.03 0.75 0.00 1.57 5.08 -0.57 -1.66 114.58 120.78 3ku1 h GLU 35 Ca 0.24 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3ku1 h GLU 35 Cb 0.18 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3ku1 h GLU 35 CO -0.02 0.70 0.00 0.54 -1.00 0.00 0.00 179.01 179.23 3ku1 n ARG 36 N -4.52 0.85 -1.42 2.33 1.74 -0.75 -4.83 116.66 110.06 3ku1 n ARG 36 Ca 0.01 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.94 3ku1 n ARG 36 Cb 0.19 -1.08 -0.07 0.00 -1.02 0.00 0.00 32.46 30.48 3ku1 n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ku1 n GLY 37 N 0.41 1.45 0.25 -0.13 0.00 -0.62 -4.89 105.19 101.65 3ku1 n GLY 37 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.19 3ku1 n GLY 37 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3ku1 h GLN 38 N 0.00 0.00 -4.92 1.61 4.15 -1.63 -3.44 115.11 110.87 3ku1 h GLN 38 Ca -0.31 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 58.80 3ku1 h GLN 38 Cb 1.18 0.00 -0.15 0.00 0.21 0.00 0.00 27.48 28.72 3ku1 h GLN 38 CO 0.46 0.04 -0.68 0.96 -1.93 0.00 0.00 178.83 177.67 3ku1 s ILE 39 N -3.47 0.91 -0.07 2.39 -4.36 -1.18 -0.66 121.20 114.76 3ku1 s ILE 39 Ca 0.03 -2.01 -0.01 0.00 -0.26 0.00 0.00 60.65 58.40 3ku1 s ILE 39 Cb 0.07 -2.00 -0.00 0.00 1.25 0.00 0.00 42.46 41.78 3ku1 s ILE 39 CO 0.61 -0.60 -0.02 0.50 0.24 0.00 0.00 174.94 175.66 3ku1 h LYS 40 N 2.73 0.00 -4.06 0.37 1.63 -1.19 -3.43 116.57 112.61 3ku1 h LYS 40 Ca -0.37 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.30 3ku1 h LYS 40 Cb 1.20 0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 32.71 3ku1 h LYS 40 CO 0.64 0.00 -0.34 -1.54 -3.45 0.00 0.00 179.45 174.76 3ku1 s SER 41 N -4.74 0.01 0.17 4.20 1.04 -1.25 -4.97 113.70 108.17 3ku1 s SER 41 Ca -0.02 -1.13 -0.08 0.00 0.48 0.00 0.00 55.95 55.21 3ku1 s SER 41 Cb 0.00 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.60 3ku1 s SER 41 CO 0.02 -1.01 0.26 0.00 0.98 0.00 0.00 173.24 173.50 3ku1 s ALA 42 N -4.08 0.20 -0.14 5.32 0.00 -0.88 -2.40 121.76 119.79 3ku1 s ALA 42 Ca 0.29 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 51.22 3ku1 s ALA 42 Cb 0.03 0.94 0.02 0.00 0.00 0.00 0.00 23.12 24.11 3ku1 s ALA 42 CO 0.10 -0.64 -0.14 0.42 0.00 0.00 0.00 175.76 175.50 3ku1 s ILE 43 N -4.00 1.51 -0.21 0.00 1.01 0.00 -1.94 121.20 117.57 3ku1 s ILE 43 Ca 0.21 -0.61 -0.08 0.00 0.00 0.00 0.00 60.65 60.17 3ku1 s ILE 43 Cb 0.04 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 3ku1 s ILE 43 CO 0.02 0.45 0.09 0.00 0.00 0.00 0.00 174.94 175.51 3ku1 s ALA 44 N 1.38 3.41 -0.04 9.38 0.00 0.15 -0.92 121.76 135.13 3ku1 s ALA 44 Ca 0.02 -0.88 0.07 0.00 0.00 0.00 0.00 51.96 51.17 3ku1 s ALA 44 Cb -0.13 -2.08 -0.01 0.00 0.00 0.00 0.00 23.12 20.89 3ku1 s ALA 44 CO -0.08 -0.08 -0.23 0.20 0.00 0.00 0.00 175.76 175.56 3ku1 s GLY 45 N 0.86 1.18 0.06 0.00 0.00 -0.36 -0.74 107.32 108.32 3ku1 s GLY 45 Ca 0.05 -0.99 -0.01 0.00 0.00 0.00 0.00 44.72 43.77 3ku1 s GLY 45 CO 0.03 -0.72 -0.03 -0.54 0.00 0.00 0.00 173.10 171.84 3ku1 s GLU 46 N -0.34 0.64 -0.04 2.90 0.41 -0.12 0.13 118.70 122.27 3ku1 s GLU 46 Ca 0.03 -1.24 0.13 0.00 -0.41 0.00 0.00 54.97 53.48 3ku1 s GLU 46 Cb -0.11 0.17 -0.19 0.00 -1.78 0.00 0.00 34.13 32.22 3ku1 s GLU 46 CO 0.01 -0.11 0.23 1.55 -0.49 0.00 0.00 175.26 176.45 3ku1 n VAL 47 N 0.09 0.21 -4.33 2.63 3.14 -1.23 -0.57 118.33 118.27 3ku1 n VAL 47 Ca -0.14 -0.36 -0.24 0.00 -2.96 0.00 0.00 64.34 60.64 3ku1 n VAL 47 Cb 0.61 -0.02 -0.12 0.00 -1.06 0.00 0.00 33.84 33.25 3ku1 n VAL 47 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 3ku1 s VAL 48 N -2.76 1.88 0.16 1.55 -7.23 -1.26 -4.73 120.40 108.01 3ku1 s VAL 48 Ca -0.05 -1.72 -0.29 0.00 -1.81 0.00 0.00 61.98 58.12 3ku1 s VAL 48 Cb 0.07 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.22 3ku1 s VAL 48 CO 0.54 -0.11 1.48 1.21 -0.31 0.00 0.00 175.10 177.91 3ku1 n GLU 49 N 0.78 -0.40 0.00 4.82 4.07 -1.26 -1.20 120.64 127.45 3ku1 n GLU 49 Ca -0.17 1.45 0.00 0.00 -0.06 0.00 0.00 57.16 58.38 3ku1 n GLU 49 Cb 0.55 -2.14 0.00 0.00 -0.06 0.00 0.00 31.44 29.79 3ku1 n GLU 49 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3ku1 n GLY 50 N -1.26 -0.94 0.32 8.31 0.00 -1.26 -0.18 105.19 110.18 3ku1 n GLY 50 Ca 0.03 0.20 0.09 0.00 0.00 0.00 0.00 46.02 46.34 3ku1 n GLY 50 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ku1 h PRO 51 N 0.00 0.62 -0.33 1.61 0.11 -1.97 -0.49 132.00 131.55 3ku1 h PRO 51 Ca 0.00 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 66.14 3ku1 h PRO 51 Cb 0.00 -0.14 -0.08 0.00 0.11 0.00 0.00 31.00 30.89 3ku1 h PRO 51 CO 0.00 0.41 -0.42 -0.92 -0.21 0.00 0.00 178.00 176.86 3ku1 h TYR 52 N 0.64 -1.21 -0.27 0.65 3.20 -0.91 -0.07 116.97 119.00 3ku1 h TYR 52 Ca 0.49 0.06 0.01 0.00 3.14 0.00 0.00 58.73 62.44 3ku1 h TYR 52 Cb 0.73 0.58 -0.02 0.00 1.54 0.00 0.00 36.73 39.56 3ku1 h TYR 52 CO -0.08 -0.45 0.14 1.96 -1.64 0.00 0.00 178.16 178.09 3ku1 h GLN 53 N -0.37 0.28 -0.30 1.82 1.08 0.10 0.19 115.11 117.92 3ku1 h GLN 53 Ca 0.12 -0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.34 3ku1 h GLN 53 Cb 0.59 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.91 3ku1 h GLN 53 CO -0.52 0.19 -0.30 1.03 -0.95 0.00 0.00 178.83 178.28 3ku1 h SER 54 N 0.29 -1.02 -0.72 1.46 0.87 -0.84 -0.75 113.55 112.84 3ku1 h SER 54 Ca 0.11 0.14 0.14 0.00 -1.23 0.00 0.00 61.79 60.95 3ku1 h SER 54 Cb 0.02 0.43 -0.14 0.00 -0.44 0.00 0.00 62.40 62.27 3ku1 h SER 54 CO -0.07 -0.18 -0.22 0.00 -0.53 0.00 0.00 176.83 175.83 3ku1 h ALA 55 N -0.53 0.38 -0.76 6.23 0.00 -0.14 -1.04 119.26 123.40 3ku1 h ALA 55 Ca 0.05 0.27 0.16 0.00 0.00 0.00 0.00 54.91 55.39 3ku1 h ALA 55 Cb 0.28 0.62 -0.14 0.00 0.00 0.00 0.00 17.79 18.56 3ku1 h ALA 55 CO -0.36 -0.47 -0.11 0.28 0.00 0.00 0.00 179.25 178.59 3ku1 h VAL 56 N -0.03 0.27 0.00 0.00 2.07 0.42 -2.72 116.25 116.25 3ku1 h VAL 56 Ca 0.33 -0.01 -0.13 0.00 0.82 0.00 0.00 66.70 67.71 3ku1 h VAL 56 Cb 0.55 0.23 0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3ku1 h VAL 56 CO -0.76 0.01 -0.51 0.11 0.02 0.00 0.00 177.57 176.44 3ku1 h LYS 57 N 0.04 0.34 -0.79 1.57 1.79 -0.20 -2.93 116.57 116.38 3ku1 h LYS 57 Ca 0.39 -0.37 0.16 0.00 -2.18 0.00 0.00 60.65 58.65 3ku1 h LYS 57 Cb 0.65 0.11 -0.05 0.00 -1.58 0.00 0.00 32.23 31.35 3ku1 h LYS 57 CO -0.74 1.06 0.53 -0.97 -1.08 0.00 0.00 179.45 178.24 3ku1 h ASN 58 N -0.22 0.42 0.03 0.86 -1.24 -1.39 -0.66 115.58 113.38 3ku1 h ASN 58 Ca -0.06 0.03 -0.20 0.00 0.71 0.00 0.00 56.30 56.78 3ku1 h ASN 58 Cb 1.23 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.23 3ku1 h ASN 58 CO 0.10 0.21 -0.71 0.58 -1.29 0.00 0.00 177.43 176.32 3ku1 h VAL 59 N 0.45 1.32 -0.31 2.57 2.07 -1.46 -1.03 116.25 119.86 3ku1 h VAL 59 Ca 0.39 -2.00 -0.10 0.00 0.82 0.00 0.00 66.70 65.82 3ku1 h VAL 59 Cb 0.88 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 3ku1 h VAL 59 CO -0.14 0.62 -0.20 -0.08 0.02 0.00 0.00 177.57 177.79 3ku1 h GLU 60 N 0.43 0.68 -0.24 1.57 4.57 -1.23 0.15 114.58 120.51 3ku1 h GLU 60 Ca -0.03 -0.32 -0.03 0.00 -1.18 0.00 0.00 59.36 57.80 3ku1 h GLU 60 Cb 1.30 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.87 3ku1 h GLU 60 CO 0.14 0.92 0.02 0.00 -1.18 0.00 0.00 179.01 178.91 3ku1 h ALA 61 N 0.74 1.61 -0.23 2.92 0.00 -0.96 1.54 119.26 124.87 3ku1 h ALA 61 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3ku1 h ALA 61 Cb 0.75 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3ku1 h ALA 61 CO 0.06 0.30 0.00 0.72 0.00 0.00 0.00 179.25 180.32 3ku1 n HIS 62 N -4.37 0.31 -3.94 0.00 8.25 -0.41 -4.94 115.22 110.13 3ku1 n HIS 62 Ca 0.00 -0.15 -0.41 0.00 -0.26 0.00 0.00 57.72 56.90 3ku1 n HIS 62 Cb 0.18 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.32 3ku1 n HIS 62 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ku1 n GLY 63 N 0.98 -0.91 0.16 -1.41 0.00 0.53 -4.89 105.19 99.64 3ku1 n GLY 63 Ca 0.11 0.39 0.07 0.00 0.00 0.00 0.00 46.02 46.59 3ku1 n GLY 63 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ku1 n LEU 64 N -4.66 1.77 -0.32 0.99 4.77 -0.02 -4.79 117.00 114.74 3ku1 n LEU 64 Ca -0.11 -2.49 0.03 0.00 -0.03 0.00 0.00 56.01 53.41 3ku1 n LEU 64 Cb 0.58 -0.30 0.11 0.00 -2.33 0.00 0.00 43.42 41.48 3ku1 n LEU 64 CO 0.72 0.58 0.67 0.50 -1.33 0.00 0.00 177.39 178.53 3ku1 h LYS 65 N 0.00 -0.01 -0.07 3.23 3.64 -1.82 0.69 116.57 122.24 3ku1 h LYS 65 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ku1 h LYS 65 Cb 1.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 3ku1 h LYS 65 CO 0.00 -0.00 0.00 -0.85 -2.27 0.00 0.00 179.45 176.33 3ku1 n GLU 66 N -5.56 0.80 0.00 1.90 0.28 -1.26 -3.73 120.64 113.07 3ku1 n GLU 66 Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.13 3ku1 n GLU 66 Cb 0.44 -1.03 0.00 0.00 1.43 0.00 0.00 31.44 32.28 3ku1 n GLU 66 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3ku1 n LYS 67 N -0.45 0.00 -4.30 3.44 5.02 0.22 -5.04 118.16 117.05 3ku1 n LYS 67 Ca 0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 3ku1 n LYS 67 Cb 0.02 -0.20 -0.15 0.00 -0.02 0.00 0.00 35.03 34.68 3ku1 n LYS 67 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ku1 s ILE 68 N 0.00 0.65 -0.02 -0.18 1.01 -0.06 -2.07 121.20 120.53 3ku1 s ILE 68 Ca 0.00 -0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.39 3ku1 s ILE 68 Cb 0.00 -0.58 -0.03 0.00 0.01 0.00 0.00 42.46 41.86 3ku1 s ILE 68 CO 0.00 0.21 -0.11 -1.10 0.00 0.00 0.00 174.94 173.93 3ku1 s GLN 69 N 0.15 2.48 -0.14 2.79 -0.21 -0.82 -4.61 119.66 119.30 3ku1 s GLN 69 Ca -0.02 -0.73 0.01 0.00 0.02 0.00 0.00 55.36 54.64 3ku1 s GLN 69 Cb -0.07 -2.42 0.00 0.00 1.00 0.00 0.00 33.01 31.52 3ku1 s GLN 69 CO 0.00 0.61 -0.18 0.08 -2.12 0.00 0.00 175.29 173.67 3ku1 s VAL 70 N -0.87 2.42 -0.03 1.09 1.01 -1.25 0.34 120.40 123.10 3ku1 s VAL 70 Ca 0.14 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.31 3ku1 s VAL 70 Cb -0.11 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 3ku1 s VAL 70 CO 0.04 0.53 -0.19 -0.13 0.00 0.00 0.00 175.10 175.35 3ku1 s ARG 71 N 0.72 1.80 -0.43 2.72 0.52 0.08 -4.98 118.95 119.40 3ku1 s ARG 71 Ca -0.08 -0.68 -0.25 0.00 -0.52 0.00 0.00 55.73 54.20 3ku1 s ARG 71 Cb -0.16 -1.62 0.02 0.00 0.52 0.00 0.00 34.95 33.72 3ku1 s ARG 71 CO 0.01 0.32 0.91 -1.17 0.02 0.00 0.00 175.30 175.39 3ku1 s LEU 72 N -0.17 4.02 0.06 2.53 2.96 -1.26 -0.94 118.68 125.88 3ku1 s LEU 72 Ca 0.00 0.26 -0.24 0.00 -0.22 0.00 0.00 54.13 53.94 3ku1 s LEU 72 Cb -0.10 -3.20 0.06 0.00 0.50 0.00 0.00 46.19 43.45 3ku1 s LEU 72 CO 0.01 -0.97 0.56 0.00 -1.32 0.00 0.00 176.35 174.63 3ku1 s ALA 73 N 3.62 -1.45 -0.07 5.97 0.00 0.27 -4.94 121.76 125.16 3ku1 s ALA 73 Ca 0.37 0.67 -0.16 0.00 0.00 0.00 0.00 51.96 52.84 3ku1 s ALA 73 Cb -0.11 0.45 -0.05 0.00 0.00 0.00 0.00 23.12 23.41 3ku1 s ALA 73 CO 0.23 -0.55 0.41 1.21 0.00 0.00 0.00 175.76 177.07 3ku1 s ASN 74 N -2.06 6.70 0.00 0.00 2.47 -1.26 -3.55 114.94 117.24 3ku1 s ASN 74 Ca -0.04 0.83 0.00 0.00 0.42 0.00 0.00 52.86 54.06 3ku1 s ASN 74 Cb -0.01 -2.25 0.00 0.00 -1.45 0.00 0.00 41.25 37.54 3ku1 s ASN 74 CO -0.03 0.17 0.00 0.61 -3.72 0.00 0.00 177.10 174.13 3ku1 n GLY 75 N 2.63 1.62 0.00 1.21 0.00 -1.26 -0.44 105.19 108.95 3ku1 n GLY 75 Ca -0.11 -0.11 0.01 0.00 0.00 0.00 0.00 46.02 45.81 3ku1 n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ku1 n LEU 76 N 0.00 0.00 -0.06 0.99 4.77 -1.26 -2.12 117.00 119.31 3ku1 n LEU 76 Ca 0.00 0.41 0.12 0.00 -0.03 0.00 0.00 56.01 56.51 3ku1 n LEU 76 Cb 0.00 -0.41 0.51 0.00 -2.33 0.00 0.00 43.42 41.20 3ku1 n LEU 76 CO 0.00 -0.37 1.18 0.00 -1.33 0.00 0.00 177.39 176.87 3ku1 h ALA 77 N 2.10 2.03 -0.03 -1.18 0.00 -1.11 -2.04 119.26 119.04 3ku1 h ALA 77 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3ku1 h ALA 77 Cb 0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3ku1 h ALA 77 CO 0.00 -0.16 0.81 0.00 0.00 0.00 0.00 179.25 179.90 3ku1 h ALA 78 N 1.71 1.84 -2.56 0.00 0.00 -1.56 -3.42 119.26 115.26 3ku1 h ALA 78 Ca 0.26 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 3ku1 h ALA 78 Cb 0.53 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.19 3ku1 h ALA 78 CO -0.07 -0.83 -0.48 -0.59 0.00 0.00 0.00 179.25 177.29 3ku1 s PHE 79 N -4.03 0.69 0.32 0.00 -0.00 -0.77 -4.93 117.98 109.25 3ku1 s PHE 79 Ca -0.01 -1.03 0.03 0.00 -0.00 0.00 0.00 56.93 55.92 3ku1 s PHE 79 Cb 0.03 -0.28 -0.06 0.00 -0.00 0.00 0.00 43.02 42.71 3ku1 s PHE 79 CO 0.09 -0.65 0.07 -1.21 -0.00 0.00 0.00 175.22 173.52 3ku1 s GLU 80 N -4.03 1.62 0.17 1.99 0.41 -1.26 -5.01 118.70 112.59 3ku1 s GLU 80 Ca 0.23 -1.90 0.25 0.00 -0.41 0.00 0.00 54.97 53.14 3ku1 s GLU 80 Cb 0.05 -0.77 0.91 0.00 -1.78 0.00 0.00 34.13 32.55 3ku1 s GLU 80 CO 0.03 -0.21 1.75 0.39 -0.49 0.00 0.00 175.26 176.72 3ku1 n GLU 81 N -0.66 0.17 0.09 1.61 -0.58 -1.26 -1.56 120.64 118.45 3ku1 n GLU 81 Ca -0.02 0.25 0.13 0.00 -0.42 0.00 0.00 57.16 57.10 3ku1 n GLU 81 Cb 0.66 -1.75 0.45 0.00 -0.57 0.00 0.00 31.44 30.24 3ku1 n GLU 81 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 3ku1 n THR 82 N -2.06 0.56 1.08 2.62 5.66 -1.26 -3.09 114.28 117.79 3ku1 n THR 82 Ca 0.04 -0.12 0.12 0.00 -3.05 0.00 0.00 64.05 61.04 3ku1 n THR 82 Cb 0.33 -0.69 0.60 0.00 -1.55 0.00 0.00 70.33 69.01 3ku1 n THR 82 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3ku1 n ASP 83 N -2.10 0.00 -2.14 1.09 8.00 -0.60 -4.93 116.55 115.87 3ku1 n ASP 83 Ca 0.05 0.11 -0.20 0.00 0.71 0.00 0.00 54.79 55.46 3ku1 n ASP 83 Cb 0.37 -0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 3ku1 n ASP 83 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ku1 n GLN 84 N -1.35 -1.56 -2.01 -1.24 1.13 -1.18 -4.89 117.38 106.27 3ku1 n GLN 84 Ca 0.10 1.03 -0.42 0.00 -1.94 0.00 0.00 57.00 55.76 3ku1 n GLN 84 Cb 0.23 -5.59 -0.03 0.00 0.11 0.00 0.00 30.24 24.96 3ku1 n GLN 84 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3ku1 s VAL 85 N -2.95 3.58 -0.07 5.09 1.01 -1.26 -4.64 120.40 121.15 3ku1 s VAL 85 Ca 0.00 0.68 -0.06 0.00 0.00 0.00 0.00 61.98 62.61 3ku1 s VAL 85 Cb 0.00 -3.49 -0.28 0.00 0.00 0.00 0.00 36.38 32.61 3ku1 s VAL 85 CO 0.00 -0.12 0.56 0.77 0.00 0.00 0.00 175.10 176.31 3ku1 h SER 86 N 10.13 0.44 -4.42 3.32 4.64 -1.60 -3.41 113.55 122.64 3ku1 h SER 86 Ca -0.38 -0.81 -0.65 0.00 -0.47 0.00 0.00 61.79 59.49 3ku1 h SER 86 Cb 1.17 -0.14 -0.30 0.00 -0.31 0.00 0.00 62.40 62.82 3ku1 h SER 86 CO 0.97 1.70 -0.87 -0.69 -0.87 0.00 0.00 176.83 177.07 3ku1 s VAL 87 N -2.58 1.83 -0.13 0.95 1.01 -0.94 -1.80 120.40 118.74 3ku1 s VAL 87 Ca -0.17 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 60.85 3ku1 s VAL 87 Cb 0.06 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.94 3ku1 s VAL 87 CO 0.81 0.52 -0.18 -0.63 0.00 0.00 0.00 175.10 175.62 3ku1 s ILE 88 N -0.47 1.73 -0.13 2.22 1.01 -0.25 -0.92 121.20 124.40 3ku1 s ILE 88 Ca 0.07 -0.77 -0.07 0.00 0.00 0.00 0.00 60.65 59.88 3ku1 s ILE 88 Cb -0.10 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 3ku1 s ILE 88 CO -0.00 0.49 0.12 0.42 0.00 0.00 0.00 174.94 175.96 3ku1 s THR 89 N 1.05 5.32 -0.36 2.92 -4.23 0.10 -1.67 115.64 118.76 3ku1 s THR 89 Ca -0.04 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.62 3ku1 s THR 89 Cb -0.15 -3.33 0.12 0.00 1.34 0.00 0.00 72.50 70.49 3ku1 s THR 89 CO -0.04 0.59 0.18 -0.63 -0.54 0.00 0.00 174.62 174.18 3ku1 s ILE 90 N -0.78 0.75 0.05 2.99 1.01 -0.20 -1.81 121.20 123.21 3ku1 s ILE 90 Ca 0.13 -1.81 0.06 0.00 0.00 0.00 0.00 60.65 59.03 3ku1 s ILE 90 Cb -0.12 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 3ku1 s ILE 90 CO 0.03 -0.85 -0.11 0.00 0.00 0.00 0.00 174.94 174.01 3ku1 s ALA 91 N 1.08 2.88 -0.14 9.38 0.00 -1.26 -2.14 121.76 131.56 3ku1 s ALA 91 Ca 0.15 -1.15 -0.00 0.00 0.00 0.00 0.00 51.96 50.96 3ku1 s ALA 91 Cb -0.21 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 21.97 3ku1 s ALA 91 CO -0.10 0.61 0.11 0.41 0.00 0.00 0.00 175.76 176.80 3ku1 n GLY 92 N 1.24 0.41 3.21 0.00 0.00 -0.79 -4.96 105.19 104.28 3ku1 n GLY 92 Ca -0.15 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 3ku1 n GLY 92 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ku1 s MET 93 N -4.28 0.96 0.52 1.61 1.00 -1.24 -4.98 119.30 112.89 3ku1 s MET 93 Ca 0.01 -1.29 -0.23 0.00 0.00 0.00 0.00 55.69 54.18 3ku1 s MET 93 Cb -0.00 0.29 -0.06 0.00 0.00 0.00 0.00 34.83 35.05 3ku1 s MET 93 CO 0.08 -0.30 1.31 0.41 0.00 0.00 0.00 175.02 176.53 3ku1 n GLY 94 N -0.11 0.65 0.40 -0.03 0.00 -1.26 0.31 105.19 105.15 3ku1 n GLY 94 Ca -0.08 0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 3ku1 n GLY 94 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ku1 h GLY 95 N 1.56 -0.58 2.00 -0.02 0.00 -1.35 -0.46 103.07 104.22 3ku1 h GLY 95 Ca -0.50 0.57 -0.07 0.00 0.00 0.00 0.00 47.33 47.33 3ku1 h GLY 95 CO 0.57 -0.17 -0.34 3.21 0.00 0.00 0.00 176.54 179.82 3ku1 h ARG 96 N -0.31 0.00 -0.30 4.80 3.08 -1.82 -1.11 114.38 118.72 3ku1 h ARG 96 Ca 0.14 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.15 3ku1 h ARG 96 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 3ku1 h ARG 96 CO -0.60 0.34 0.04 1.25 -1.07 0.00 0.00 179.97 179.93 3ku1 h LEU 97 N 0.00 0.48 -0.56 3.04 5.85 -1.89 0.36 115.31 122.59 3ku1 h LEU 97 Ca -0.00 -0.27 0.09 0.00 0.84 0.00 0.00 57.88 58.54 3ku1 h LEU 97 Cb 0.79 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.63 3ku1 h LEU 97 CO 0.04 0.62 0.18 0.40 -0.34 0.00 0.00 178.44 179.35 3ku1 h ILE 98 N 0.31 0.76 0.83 4.05 2.04 -0.42 0.31 117.51 125.40 3ku1 h ILE 98 Ca 0.09 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 3ku1 h ILE 98 Cb 0.36 0.38 0.01 0.00 -0.74 0.00 0.00 36.82 36.83 3ku1 h ILE 98 CO 0.01 0.06 -0.40 0.00 0.00 0.00 0.00 178.15 177.82 3ku1 h ALA 99 N 1.40 -1.12 -0.92 1.87 0.00 -1.04 -1.63 119.26 117.83 3ku1 h ALA 99 Ca 0.28 -0.25 0.19 0.00 0.00 0.00 0.00 54.91 55.13 3ku1 h ALA 99 Cb 0.35 0.43 -0.17 0.00 0.00 0.00 0.00 17.79 18.40 3ku1 h ALA 99 CO -0.30 -1.11 -0.21 0.00 0.00 0.00 0.00 179.25 177.62 3ku1 h ARG 100 N -1.15 0.00 0.88 0.00 3.08 0.01 1.25 114.38 118.46 3ku1 h ARG 100 Ca -0.11 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 3ku1 h ARG 100 Cb 0.86 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.91 3ku1 h ARG 100 CO 0.19 0.00 -0.50 0.82 -1.07 0.00 0.00 179.97 179.41 3ku1 h ILE 101 N 0.00 0.00 -0.65 2.04 2.04 -0.13 0.42 117.51 121.23 3ku1 h ILE 101 Ca 0.45 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.41 3ku1 h ILE 101 Cb 0.69 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.70 3ku1 h ILE 101 CO -0.94 0.00 0.26 -0.07 0.00 0.00 0.00 178.15 177.40 3ku1 h LEU 102 N -1.27 0.26 -0.05 1.44 3.38 -0.89 -2.55 115.31 115.62 3ku1 h LEU 102 Ca -0.12 0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3ku1 h LEU 102 Cb 1.00 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 3ku1 h LEU 102 CO 0.15 0.14 -0.18 -0.08 0.09 0.00 0.00 178.44 178.56 3ku1 h GLU 103 N 0.44 -0.26 0.00 1.13 4.57 0.19 -0.01 114.58 120.64 3ku1 h GLU 103 Ca 0.33 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.53 3ku1 h GLU 103 Cb 0.43 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 3ku1 h GLU 103 CO -0.32 -0.17 0.00 0.39 -1.18 0.00 0.00 179.01 177.72 3ku1 n GLU 104 N -5.31 0.67 -1.00 1.92 1.02 0.14 -2.33 120.64 115.76 3ku1 n GLU 104 Ca -0.04 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.09 3ku1 n GLU 104 Cb 0.23 -1.47 -0.01 0.00 -0.02 0.00 0.00 31.44 30.17 3ku1 n GLU 104 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ku1 n GLY 105 N 0.34 0.76 0.37 0.62 0.00 -1.10 -4.90 105.19 101.28 3ku1 n GLY 105 Ca 0.15 -0.31 0.13 0.00 0.00 0.00 0.00 46.02 45.99 3ku1 n GLY 105 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ku1 h LEU 106 N 0.37 0.64 -0.98 0.99 5.85 -0.59 -1.16 115.31 120.43 3ku1 h LEU 106 Ca -0.24 0.05 0.19 0.00 0.84 0.00 0.00 57.88 58.72 3ku1 h LEU 106 Cb 1.52 -0.07 -0.18 0.00 0.37 0.00 0.00 40.66 42.30 3ku1 h LEU 106 CO -0.04 0.29 -0.27 0.61 -0.34 0.00 0.00 178.44 178.69 3ku1 n GLY 107 N -1.43 -1.72 0.00 3.75 0.00 -1.26 -2.68 105.19 101.85 3ku1 n GLY 107 Ca 0.19 1.05 0.09 0.00 0.00 0.00 0.00 46.02 47.35 3ku1 n GLY 107 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ku1 n LYS 108 N -5.56 0.25 0.02 1.61 5.02 -0.44 -3.91 118.16 115.15 3ku1 n LYS 108 Ca 0.14 0.12 0.12 0.00 -2.02 0.00 0.00 58.31 56.67 3ku1 n LYS 108 Cb 0.47 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 34.15 3ku1 n LYS 108 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3ku1 n LEU 109 N -1.30 0.60 -0.19 -0.35 4.77 -1.09 -4.43 117.00 115.01 3ku1 n LEU 109 Ca 0.08 0.04 -0.01 0.00 -0.03 0.00 0.00 56.01 56.09 3ku1 n LEU 109 Cb 0.15 -0.19 0.09 0.00 -2.33 0.00 0.00 43.42 41.14 3ku1 n LEU 109 CO 0.14 0.06 0.98 0.00 -1.33 0.00 0.00 177.39 177.25 3ku1 h ALA 110 N 2.77 0.72 -0.36 -1.18 0.00 -1.80 -0.61 119.26 118.80 3ku1 h ALA 110 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ku1 h ALA 110 Cb 0.62 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3ku1 h ALA 110 CO 0.00 -0.19 0.00 0.09 0.00 0.00 0.00 179.25 179.15 3ku1 n ASN 111 N -4.99 3.70 -4.59 0.00 3.02 -1.26 -4.82 115.26 106.31 3ku1 n ASN 111 Ca 0.07 -2.50 -0.38 0.00 -0.03 0.00 0.00 54.58 51.74 3ku1 n ASN 111 Cb 0.24 -0.58 -0.10 0.00 -0.61 0.00 0.00 39.78 38.73 3ku1 n ASN 111 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ku1 s VAL 112 N -1.99 5.26 0.04 2.41 1.01 -0.24 -4.78 120.40 122.12 3ku1 s VAL 112 Ca 0.32 0.29 -0.32 0.00 0.00 0.00 0.00 61.98 62.27 3ku1 s VAL 112 Cb 0.24 -3.59 -0.18 0.00 0.00 0.00 0.00 36.38 32.85 3ku1 s VAL 112 CO 0.11 0.21 1.40 -0.33 0.00 0.00 0.00 175.10 176.48 3ku1 h GLU 113 N 8.31 -1.02 -5.22 2.72 5.08 -1.67 -3.45 114.58 119.32 3ku1 h GLU 113 Ca -0.34 0.07 -0.38 0.00 -1.00 0.00 0.00 59.36 57.71 3ku1 h GLU 113 Cb 1.18 0.23 -0.20 0.00 0.50 0.00 0.00 28.75 30.47 3ku1 h GLU 113 CO 0.58 -0.67 -0.76 0.50 -1.00 0.00 0.00 179.01 177.67 3ku1 s ARG 114 N -5.45 0.87 -0.39 2.33 3.52 -0.74 -4.42 118.95 114.67 3ku1 s ARG 114 Ca -0.17 -1.08 0.01 0.00 -0.13 0.00 0.00 55.73 54.36 3ku1 s ARG 114 Cb 0.02 -0.74 0.13 0.00 -1.56 0.00 0.00 34.95 32.80 3ku1 s ARG 114 CO 0.54 0.15 0.21 -0.51 -0.81 0.00 0.00 175.30 174.88 3ku1 s LEU 115 N -2.12 1.89 -0.32 -0.88 1.02 -0.81 -1.09 118.68 116.37 3ku1 s LEU 115 Ca 0.03 -2.33 -0.24 0.00 0.02 0.00 0.00 54.13 51.60 3ku1 s LEU 115 Cb -0.07 -0.74 0.00 0.00 0.02 0.00 0.00 46.19 45.41 3ku1 s LEU 115 CO 0.02 -0.30 0.84 -0.63 0.02 0.00 0.00 176.35 176.30 3ku1 s ILE 116 N 0.80 4.73 -0.12 -0.59 1.01 -0.67 -2.26 121.20 124.11 3ku1 s ILE 116 Ca 0.17 1.25 0.01 0.00 0.00 0.00 0.00 60.65 62.08 3ku1 s ILE 116 Cb -0.23 -4.21 0.02 0.00 0.01 0.00 0.00 42.46 38.05 3ku1 s ILE 116 CO -0.02 -0.32 -0.14 -0.76 0.00 0.00 0.00 174.94 173.70 3ku1 s LEU 117 N 3.11 1.66 -0.53 2.97 1.43 0.50 -1.04 118.68 126.78 3ku1 s LEU 117 Ca 0.35 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 3ku1 s LEU 117 Cb -0.14 -1.09 0.13 0.00 0.03 0.00 0.00 46.19 45.13 3ku1 s LEU 117 CO 0.14 -0.02 0.28 -1.58 0.23 0.00 0.00 176.35 175.40 3ku1 s GLN 118 N 1.20 2.05 1.04 1.70 -0.44 -0.91 0.52 119.66 124.82 3ku1 s GLN 118 Ca -0.02 -2.57 -0.16 0.00 -2.50 0.00 0.00 55.36 50.10 3ku1 s GLN 118 Cb -0.14 -3.38 0.21 0.00 -1.64 0.00 0.00 33.01 28.06 3ku1 s GLN 118 CO -0.05 -1.11 1.19 -1.25 0.50 0.00 0.00 175.29 174.57 3ku1 s PRO 119 N -0.20 0.08 -0.01 1.67 0.04 -1.25 -1.89 135.00 133.44 3ku1 s PRO 119 Ca 0.17 -0.07 0.02 0.00 0.04 0.00 0.00 61.00 61.15 3ku1 s PRO 119 Cb -0.25 -1.75 0.04 0.00 0.04 0.00 0.00 34.50 32.58 3ku1 s PRO 119 CO -0.01 -2.85 1.03 0.09 0.04 0.00 0.00 177.00 175.30 3ku1 n ASN 120 N -4.15 2.08 0.00 6.66 3.02 0.15 -4.45 115.26 118.57 3ku1 n ASN 120 Ca 0.12 -2.08 0.00 0.00 -0.03 0.00 0.00 54.58 52.58 3ku1 n ASN 120 Cb 0.59 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.72 3ku1 n ASN 120 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3ku1 n ASN 121 N -0.52 0.00 -2.12 6.41 2.04 -1.26 -4.92 115.26 114.88 3ku1 n ASN 121 Ca 0.02 0.00 -0.19 0.00 -0.44 0.00 0.00 54.58 53.97 3ku1 n ASN 121 Cb 0.29 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.52 3ku1 n ASN 121 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 3ku1 n ARG 122 N -1.30 -1.52 -0.34 -3.83 5.12 -1.26 -1.09 116.66 112.45 3ku1 n ARG 122 Ca 0.00 0.96 0.01 0.00 -1.93 0.00 0.00 57.85 56.88 3ku1 n ARG 122 Cb 0.00 -5.50 0.17 0.00 -1.16 0.00 0.00 32.46 25.97 3ku1 n ARG 122 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 3ku1 h GLU 123 N 0.00 1.17 0.34 5.56 3.07 -1.95 -2.34 114.58 120.42 3ku1 h GLU 123 Ca -0.45 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.33 3ku1 h GLU 123 Cb 1.33 -0.26 -0.02 0.00 -0.84 0.00 0.00 28.75 28.96 3ku1 h GLU 123 CO 0.54 0.77 -0.39 0.38 -1.40 0.00 0.00 179.01 178.92 3ku1 h ASP 124 N 1.21 -1.07 -1.17 1.42 3.04 -1.88 -1.61 116.42 116.35 3ku1 h ASP 124 Ca 0.37 0.09 0.35 0.00 -3.24 0.00 0.00 57.03 54.61 3ku1 h ASP 124 Cb -0.01 0.36 -0.12 0.00 -1.04 0.00 0.00 39.33 38.52 3ku1 h ASP 124 CO -0.11 -0.49 0.74 0.44 -2.04 0.00 0.00 179.24 177.78 3ku1 h ASP 125 N -0.73 0.35 -0.23 4.15 3.32 -1.83 0.87 116.42 122.32 3ku1 h ASP 125 Ca -0.04 0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 3ku1 h ASP 125 Cb 0.65 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 3ku1 h ASP 125 CO -0.07 -0.07 0.04 0.25 -1.72 0.00 0.00 179.24 177.67 3ku1 h LEU 126 N 0.23 0.36 -0.13 1.55 5.85 -1.20 -1.16 115.31 120.81 3ku1 h LEU 126 Ca 0.72 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 59.19 3ku1 h LEU 126 Cb 2.04 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.96 3ku1 h LEU 126 CO -0.39 0.52 0.05 0.03 -0.34 0.00 0.00 178.44 178.31 3ku1 h ARG 127 N 0.18 0.11 -0.08 1.25 3.08 0.16 0.56 114.38 119.65 3ku1 h ARG 127 Ca 0.07 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.15 3ku1 h ARG 127 Cb 0.31 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.28 3ku1 h ARG 127 CO 0.00 0.07 -0.40 0.82 -1.07 0.00 0.00 179.97 179.40 3ku1 h ILE 128 N 0.12 0.18 -0.61 2.04 2.04 -0.83 0.10 117.51 120.55 3ku1 h ILE 128 Ca 0.05 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.01 3ku1 h ILE 128 Cb 0.02 0.18 -0.11 0.00 -0.74 0.00 0.00 36.82 36.17 3ku1 h ILE 128 CO -0.05 0.00 -0.37 -0.25 0.00 0.00 0.00 178.15 177.48 3ku1 h TRP 129 N -0.51 -1.04 0.00 1.37 7.01 -0.11 -1.25 115.95 121.43 3ku1 h TRP 129 Ca 0.07 0.08 -0.04 0.00 2.11 0.00 0.00 58.89 61.11 3ku1 h TRP 129 Cb 0.62 0.54 -0.01 0.00 -2.10 0.00 0.00 29.16 28.22 3ku1 h TRP 129 CO -0.44 -0.40 -0.19 -0.07 -2.79 0.00 0.00 178.44 174.56 3ku1 h LEU 130 N -0.17 0.00 0.51 0.65 3.38 0.89 -2.79 115.31 117.78 3ku1 h LEU 130 Ca 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 3ku1 h LEU 130 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3ku1 h LEU 130 CO -0.70 0.19 -0.24 -0.61 0.09 0.00 0.00 178.44 177.16 3ku1 h GLN 131 N 0.00 -0.66 0.00 1.13 4.15 0.10 -1.06 115.11 118.77 3ku1 h GLN 131 Ca -0.00 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.46 3ku1 h GLN 131 Cb 0.45 0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.29 3ku1 h GLN 131 CO 0.02 -0.42 0.00 -0.25 -1.93 0.00 0.00 178.83 176.25 3ku1 n ASP 132 N -5.23 0.00 -0.47 -0.69 8.00 -0.64 -1.83 116.55 115.69 3ku1 n ASP 132 Ca -0.09 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.42 3ku1 n ASP 132 Cb 0.28 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.39 3ku1 n ASP 132 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3ku1 n HIS 133 N -0.74 0.00 -2.69 1.24 8.25 -1.15 -5.00 115.22 115.13 3ku1 n HIS 133 Ca 0.00 -0.09 -0.05 0.00 -0.26 0.00 0.00 57.72 57.32 3ku1 n HIS 133 Cb 0.00 -0.06 0.02 0.00 1.12 0.00 0.00 29.99 31.07 3ku1 n HIS 133 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ku1 n GLY 134 N -0.12 0.62 3.24 -1.41 0.00 -0.76 -5.03 105.19 101.73 3ku1 n GLY 134 Ca 0.01 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.29 3ku1 n GLY 134 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ku1 s PHE 135 N -3.07 1.90 0.02 1.61 0.08 -0.40 -2.50 117.98 115.63 3ku1 s PHE 135 Ca 0.11 -0.37 0.08 0.00 0.12 0.00 0.00 56.93 56.87 3ku1 s PHE 135 Cb -0.05 -1.20 -0.03 0.00 -0.57 0.00 0.00 43.02 41.18 3ku1 s PHE 135 CO 0.15 0.01 -0.22 1.14 -0.10 0.00 0.00 175.22 176.19 3ku1 s GLN 136 N -0.71 2.01 0.06 0.44 -2.07 -0.70 -4.08 119.66 114.60 3ku1 s GLN 136 Ca 0.08 -1.00 -0.30 0.00 -1.82 0.00 0.00 55.36 52.33 3ku1 s GLN 136 Cb -0.08 -2.10 -0.05 0.00 -1.09 0.00 0.00 33.01 29.69 3ku1 s GLN 136 CO -0.00 0.54 0.95 0.42 -1.32 0.00 0.00 175.29 175.88 3ku1 s ILE 137 N -0.81 4.66 -0.90 3.63 1.01 -1.26 -1.42 121.20 126.11 3ku1 s ILE 137 Ca 0.12 2.03 0.08 0.00 0.00 0.00 0.00 60.65 62.88 3ku1 s ILE 137 Cb -0.10 -4.31 0.05 0.00 0.01 0.00 0.00 42.46 38.11 3ku1 s ILE 137 CO 0.02 0.26 0.70 1.33 0.00 0.00 0.00 174.94 177.26 3ku1 n VAL 138 N 3.22 0.00 -3.65 2.92 0.24 -0.09 -4.94 118.33 116.04 3ku1 n VAL 138 Ca 0.03 -0.49 -0.03 0.00 -2.04 0.00 0.00 64.34 61.81 3ku1 n VAL 138 Cb 0.50 1.15 -0.07 0.00 -1.47 0.00 0.00 33.84 33.95 3ku1 n VAL 138 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ku1 s ALA 139 N -0.71 -2.26 -0.04 2.33 0.00 -1.22 -5.00 121.76 114.86 3ku1 s ALA 139 Ca 0.08 1.82 -0.00 0.00 0.00 0.00 0.00 51.96 53.86 3ku1 s ALA 139 Cb 0.06 -1.74 0.03 0.00 0.00 0.00 0.00 23.12 21.47 3ku1 s ALA 139 CO 0.11 -0.19 0.00 -1.21 0.00 0.00 0.00 175.76 174.47 3ku1 s GLU 140 N 0.37 0.40 0.33 0.00 2.02 -1.26 0.06 118.70 120.63 3ku1 s GLU 140 Ca 0.02 0.10 0.05 0.00 0.02 0.00 0.00 54.97 55.17 3ku1 s GLU 140 Cb -0.04 -0.67 -0.07 0.00 0.10 0.00 0.00 34.13 33.45 3ku1 s GLU 140 CO -0.13 -0.20 0.01 -1.54 0.02 0.00 0.00 175.26 173.42 3ku1 s SER 141 N 1.44 2.84 0.10 -0.19 1.04 -0.97 -4.51 113.70 113.45 3ku1 s SER 141 Ca -0.04 -1.32 -0.07 0.00 0.48 0.00 0.00 55.95 55.01 3ku1 s SER 141 Cb -0.13 -0.18 -0.01 0.00 0.10 0.00 0.00 66.02 65.79 3ku1 s SER 141 CO -0.03 -0.49 0.16 -0.51 0.98 0.00 0.00 173.24 173.35 3ku1 s ILE 142 N -3.07 0.14 -0.02 -1.02 2.07 -1.26 -1.02 121.20 117.02 3ku1 s ILE 142 Ca 0.34 -1.40 -0.29 0.00 -1.41 0.00 0.00 60.65 57.89 3ku1 s ILE 142 Cb 0.07 -1.53 0.10 0.00 0.13 0.00 0.00 42.46 41.23 3ku1 s ILE 142 CO 0.15 -0.63 0.88 -1.48 -1.91 0.00 0.00 174.94 171.96 3ku1 s LEU 143 N -2.91 -0.38 0.04 8.50 2.34 -0.79 -4.99 118.68 120.50 3ku1 s LEU 143 Ca 0.09 0.05 0.05 0.00 0.06 0.00 0.00 54.13 54.39 3ku1 s LEU 143 Cb 0.05 2.04 -0.04 0.00 -0.56 0.00 0.00 46.19 47.69 3ku1 s LEU 143 CO -0.08 -0.61 -0.10 -0.70 -1.06 0.00 0.00 176.35 173.80 3ku1 s GLU 144 N -2.92 2.31 -0.23 1.48 2.12 -1.26 -1.16 118.70 119.04 3ku1 s GLU 144 Ca 0.04 -0.87 -0.04 0.00 0.36 0.00 0.00 54.97 54.45 3ku1 s GLU 144 Cb -0.01 -2.37 0.12 0.00 0.26 0.00 0.00 34.13 32.13 3ku1 s GLU 144 CO -0.08 0.56 0.39 -2.00 -0.54 0.00 0.00 175.26 173.60 3ku1 s GLU 145 N -1.65 0.34 -1.25 4.30 2.12 -0.37 -4.96 118.70 117.22 3ku1 s GLU 145 Ca 0.18 0.73 -0.04 0.00 0.36 0.00 0.00 54.97 56.19 3ku1 s GLU 145 Cb -0.11 -0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.13 3ku1 s GLU 145 CO 0.09 -0.50 1.06 0.00 -0.54 0.00 0.00 175.26 175.38 3ku1 n ALA 146 N 5.38 -1.67 0.00 6.30 0.00 -1.26 -2.00 120.51 127.26 3ku1 n ALA 146 Ca -0.05 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3ku1 n ALA 146 Cb 0.50 -3.77 0.00 0.00 0.00 0.00 0.00 19.45 16.18 3ku1 n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ku1 n GLY 147 N -1.52 2.56 3.81 0.00 0.00 -1.26 -5.02 105.19 103.76 3ku1 n GLY 147 Ca -0.15 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 3ku1 n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ku1 s LYS 148 N 0.00 4.26 -0.11 1.61 3.01 -0.85 -5.07 119.74 122.60 3ku1 s LYS 148 Ca 0.00 1.22 -0.06 0.00 -1.01 0.00 0.00 55.97 56.12 3ku1 s LYS 148 Cb 0.00 -2.34 -0.04 0.00 -1.01 0.00 0.00 37.83 34.44 3ku1 s LYS 148 CO 0.00 -0.01 0.11 -0.06 0.51 0.00 0.00 175.35 175.90 3ku1 s PHE 149 N -1.99 3.49 -0.10 3.18 0.08 -1.26 -1.24 117.98 120.13 3ku1 s PHE 149 Ca 0.60 0.45 -0.03 0.00 0.12 0.00 0.00 56.93 58.06 3ku1 s PHE 149 Cb -0.13 -1.91 0.04 0.00 -0.57 0.00 0.00 43.02 40.46 3ku1 s PHE 149 CO 0.17 0.67 0.06 0.71 -0.10 0.00 0.00 175.22 176.73 3ku1 s TYR 150 N -0.98 0.30 0.32 0.36 2.02 -0.31 -4.96 117.35 114.10 3ku1 s TYR 150 Ca 0.14 -0.11 -0.17 0.00 -0.37 0.00 0.00 57.07 56.56 3ku1 s TYR 150 Cb -0.12 -0.66 -0.09 0.00 -0.40 0.00 0.00 41.96 40.69 3ku1 s TYR 150 CO 0.04 -0.36 0.77 -1.21 -1.57 0.00 0.00 175.55 173.22 3ku1 s GLU 151 N 2.10 4.12 -0.07 -0.62 2.02 -1.26 -1.88 118.70 123.09 3ku1 s GLU 151 Ca 0.03 0.81 0.01 0.00 0.02 0.00 0.00 54.97 55.85 3ku1 s GLU 151 Cb -0.14 -2.51 0.02 0.00 0.10 0.00 0.00 34.13 31.60 3ku1 s GLU 151 CO -0.06 0.19 -0.10 0.42 0.02 0.00 0.00 175.26 175.73 3ku1 s ILE 152 N -1.89 1.03 -0.17 -1.63 1.01 -0.19 -3.92 121.20 115.44 3ku1 s ILE 152 Ca 0.53 -0.38 -0.02 0.00 0.00 0.00 0.00 60.65 60.77 3ku1 s ILE 152 Cb -0.12 -0.98 -0.01 0.00 0.01 0.00 0.00 42.46 41.36 3ku1 s ILE 152 CO 0.18 0.34 -0.07 -0.76 0.00 0.00 0.00 174.94 174.63 3ku1 s LEU 153 N 0.96 2.90 -0.16 2.97 1.02 0.19 -2.30 118.68 124.26 3ku1 s LEU 153 Ca -0.09 -0.31 -0.09 0.00 0.02 0.00 0.00 54.13 53.65 3ku1 s LEU 153 Cb -0.15 -1.70 -0.05 0.00 0.02 0.00 0.00 46.19 44.32 3ku1 s LEU 153 CO 0.00 0.09 0.15 -0.69 0.02 0.00 0.00 176.35 175.92 3ku1 s VAL 154 N 0.84 5.43 -0.04 -1.59 1.01 0.11 -0.37 120.40 125.79 3ku1 s VAL 154 Ca -0.02 0.24 -0.03 0.00 0.00 0.00 0.00 61.98 62.17 3ku1 s VAL 154 Cb -0.15 -3.46 0.01 0.00 0.00 0.00 0.00 36.38 32.78 3ku1 s VAL 154 CO 0.01 0.51 0.09 -0.69 0.00 0.00 0.00 175.10 175.02 3ku1 s VAL 155 N -0.22 -0.01 0.43 2.92 1.01 -0.96 -0.91 120.40 122.66 3ku1 s VAL 155 Ca 0.12 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.18 3ku1 s VAL 155 Cb -0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 3ku1 s VAL 155 CO 0.01 0.02 0.12 -1.61 0.00 0.00 0.00 175.10 173.64 3ku1 s GLU 156 N 0.30 1.98 0.15 2.72 2.02 -0.51 -1.92 118.70 123.44 3ku1 s GLU 156 Ca -0.02 -2.22 -0.31 0.00 0.02 0.00 0.00 54.97 52.44 3ku1 s GLU 156 Cb -0.03 -0.72 -0.11 0.00 0.10 0.00 0.00 34.13 33.37 3ku1 s GLU 156 CO -0.01 -0.47 1.82 0.00 0.02 0.00 0.00 175.26 176.61 3ku1 s ALA 157 N -3.16 3.81 0.00 5.21 0.00 -1.26 -1.72 121.76 124.64 3ku1 s ALA 157 Ca 0.21 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.67 3ku1 s ALA 157 Cb 0.02 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.39 3ku1 s ALA 157 CO 0.13 -1.16 0.00 0.41 0.00 0.00 0.00 175.76 175.14 3ku1 n GLY 158 N 4.19 0.74 3.75 0.00 0.00 -1.04 -4.70 105.19 108.12 3ku1 n GLY 158 Ca 0.17 -1.15 -0.26 0.00 0.00 0.00 0.00 46.02 44.79 3ku1 n GLY 158 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ku1 s GLN 159 N -2.00 2.70 -0.26 1.61 -0.21 -1.26 -1.75 119.66 118.49 3ku1 s GLN 159 Ca 0.00 -0.99 -0.24 0.00 0.02 0.00 0.00 55.36 54.15 3ku1 s GLN 159 Cb 0.00 -2.52 0.07 0.00 1.00 0.00 0.00 33.01 31.56 3ku1 s GLN 159 CO 0.00 0.46 0.70 0.00 -2.12 0.00 0.00 175.29 174.33 3ku1 s MET 160 N -3.11 0.81 -0.28 2.91 0.23 -1.26 -4.62 119.30 113.98 3ku1 s MET 160 Ca 0.30 0.97 0.02 0.00 -1.03 0.00 0.00 55.69 55.94 3ku1 s MET 160 Cb -0.09 0.40 0.08 0.00 -1.53 0.00 0.00 34.83 33.68 3ku1 s MET 160 CO 0.22 -0.10 0.00 -1.59 -2.03 0.00 0.00 175.02 171.52 3ku1 s LYS 161 N 0.37 1.47 0.07 3.16 0.00 -1.26 -4.92 119.74 118.64 3ku1 s LYS 161 Ca -0.00 -1.31 -0.02 0.00 0.00 0.00 0.00 55.97 54.64 3ku1 s LYS 161 Cb -0.05 -2.70 -0.05 0.00 0.00 0.00 0.00 37.83 35.04 3ku1 s LYS 161 CO 0.01 -0.77 0.26 -0.51 0.00 0.00 0.00 175.35 174.34 3ku1 s LEU 162 N 1.25 4.33 0.48 2.77 1.43 -1.26 -5.09 118.68 122.60 3ku1 s LEU 162 Ca 0.02 0.39 -0.20 0.00 -1.03 0.00 0.00 54.13 53.31 3ku1 s LEU 162 Cb -0.19 -3.01 -0.09 0.00 0.03 0.00 0.00 46.19 42.93 3ku1 s LEU 162 CO -0.10 0.15 1.01 -0.94 0.23 0.00 0.00 176.35 176.70 3ku1 s SER 163 N -2.38 6.49 0.14 2.29 1.04 -1.26 -4.88 113.70 115.14 3ku1 s SER 163 Ca 0.36 1.81 0.09 0.00 0.48 0.00 0.00 55.95 58.69 3ku1 s SER 163 Cb -0.13 -2.55 0.49 0.00 0.10 0.00 0.00 66.02 63.94 3ku1 s SER 163 CO 0.25 -0.67 1.26 0.00 0.98 0.00 0.00 173.24 175.06 3ku1 n ALA 164 N -1.02 0.98 0.04 5.32 0.00 -1.26 0.13 120.51 124.70 3ku1 n ALA 164 Ca 0.08 0.08 -0.18 0.00 0.00 0.00 0.00 53.44 53.43 3ku1 n ALA 164 Cb 0.53 -1.09 -0.14 0.00 0.00 0.00 0.00 19.45 18.75 3ku1 n ALA 164 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3ku1 h SER 165 N 0.00 0.39 0.03 0.00 4.64 -1.99 -3.23 113.55 113.39 3ku1 h SER 165 Ca 0.00 -0.63 -0.05 0.00 -0.47 0.00 0.00 61.79 60.64 3ku1 h SER 165 Cb 0.05 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 3ku1 h SER 165 CO 0.00 1.54 -0.14 0.44 -0.87 0.00 0.00 176.83 177.80 3ku1 h ASP 166 N 0.07 0.22 0.09 4.97 3.32 -0.67 0.43 116.42 124.85 3ku1 h ASP 166 Ca -0.30 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 56.70 3ku1 h ASP 166 Cb 2.03 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 41.53 3ku1 h ASP 166 CO 0.14 0.39 -0.04 0.58 -1.72 0.00 0.00 179.24 178.59 3ku1 h VAL 167 N 0.22 1.14 0.00 -1.35 2.07 -1.34 0.36 116.25 117.35 3ku1 h VAL 167 Ca 0.04 -0.98 -0.05 0.00 0.82 0.00 0.00 66.70 66.54 3ku1 h VAL 167 Cb 0.39 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 3ku1 h VAL 167 CO 0.02 0.23 -0.23 -0.09 0.02 0.00 0.00 177.57 177.53 3ku1 h ARG 168 N -0.58 0.00 0.00 1.57 9.65 -1.55 -3.35 114.38 120.13 3ku1 h ARG 168 Ca -0.01 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3ku1 h ARG 168 Cb 0.48 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 3ku1 h ARG 168 CO 0.02 0.23 -0.72 1.19 2.80 0.00 0.00 179.97 183.49 3ku1 n PHE 169 N -4.07 0.00 -0.18 2.20 3.72 0.13 -4.83 117.46 114.43 3ku1 n PHE 169 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3ku1 n PHE 169 Cb 0.30 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 3ku1 n PHE 169 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ku1 n GLY 170 N 1.83 0.03 0.20 1.37 0.00 0.13 -4.16 105.19 104.58 3ku1 n GLY 170 Ca 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 46.02 44.97 3ku1 n GLY 170 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ku1 n PRO 171 N 2.29 -0.20 0.10 1.61 -0.02 -1.22 -0.49 135.00 137.05 3ku1 n PRO 171 Ca 0.00 0.71 0.08 0.00 -2.02 0.00 0.00 63.50 62.27 3ku1 n PRO 171 Cb 0.00 -1.04 -0.01 0.00 -0.02 0.00 0.00 33.50 32.43 3ku1 n PRO 171 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 3ku1 h PHE 172 N 0.00 0.00 -0.04 6.00 0.04 -1.91 -3.32 116.94 117.70 3ku1 h PHE 172 Ca 0.08 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.73 3ku1 h PHE 172 Cb 0.19 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.35 3ku1 h PHE 172 CO -0.48 0.16 -0.42 -0.07 -0.60 0.00 0.00 178.31 176.90 3ku1 h LEU 173 N 0.00 0.45 -2.54 1.54 3.38 -1.60 -3.03 115.31 113.51 3ku1 h LEU 173 Ca -0.04 -0.70 -0.04 0.00 0.09 0.00 0.00 57.88 57.19 3ku1 h LEU 173 Cb 1.16 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 3ku1 h LEU 173 CO 0.01 1.08 0.05 -1.54 0.09 0.00 0.00 178.44 178.13 3ku1 n SER 174 N -4.34 3.65 0.00 -0.43 3.41 0.35 -1.94 113.62 114.32 3ku1 n SER 174 Ca -0.09 -2.58 0.00 0.00 -0.26 0.00 0.00 58.87 55.94 3ku1 n SER 174 Cb 0.57 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 3ku1 n SER 174 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3ku1 n LYS 175 N 0.25 0.00 -0.10 4.33 4.81 -1.25 -4.50 118.16 121.70 3ku1 n LYS 175 Ca 0.18 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.63 3ku1 n LYS 175 Cb 0.84 -0.58 0.06 0.00 0.02 0.00 0.00 35.03 35.36 3ku1 n LYS 175 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 3ku1 n GLU 176 N -2.75 1.44 -0.03 1.64 -0.00 -1.14 -4.97 120.64 114.84 3ku1 n GLU 176 Ca 0.00 -0.44 0.00 0.00 -0.00 0.00 0.00 57.16 56.72 3ku1 n GLU 176 Cb 0.43 -1.39 0.00 0.00 -0.00 0.00 0.00 31.44 30.47 3ku1 n GLU 176 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3ku1 n VAL 177 N -0.02 0.00 -1.86 3.84 0.31 -0.82 -4.85 118.33 114.93 3ku1 n VAL 177 Ca 0.04 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.07 3ku1 n VAL 177 Cb 0.27 0.00 0.16 0.00 -0.91 0.00 0.00 33.84 33.36 3ku1 n VAL 177 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3ku1 s SER 178 N -0.02 3.38 0.15 4.52 1.04 -1.26 -4.80 113.70 116.71 3ku1 s SER 178 Ca 0.00 0.45 -0.17 0.00 0.48 0.00 0.00 55.95 56.71 3ku1 s SER 178 Cb 0.00 -0.64 0.01 0.00 0.10 0.00 0.00 66.02 65.49 3ku1 s SER 178 CO 0.00 -2.58 1.79 -0.65 0.98 0.00 0.00 173.24 172.78 3ku1 h PRO 179 N -1.53 0.39 -0.70 4.02 0.11 -1.99 0.09 132.00 132.38 3ku1 h PRO 179 Ca -0.45 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 3ku1 h PRO 179 Cb 1.27 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 3ku1 h PRO 179 CO 0.46 0.26 0.30 0.28 -0.21 0.00 0.00 178.00 179.09 3ku1 h VAL 180 N 0.40 1.24 -0.16 3.15 2.07 -1.95 0.14 116.25 121.14 3ku1 h VAL 180 Ca 0.14 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 66.96 3ku1 h VAL 180 Cb 0.01 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.15 3ku1 h VAL 180 CO -0.07 0.30 -0.14 0.15 0.02 0.00 0.00 177.57 177.84 3ku1 h PHE 181 N 1.00 -0.34 -0.91 1.57 3.57 -1.87 -1.82 116.94 118.14 3ku1 h PHE 181 Ca 0.24 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.77 3ku1 h PHE 181 Cb 0.18 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 3ku1 h PHE 181 CO 0.01 -0.20 0.60 0.28 -2.23 0.00 0.00 178.31 176.77 3ku1 h VAL 182 N -0.15 1.23 -0.20 1.41 2.07 -0.24 -2.86 116.25 117.50 3ku1 h VAL 182 Ca 0.10 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 3ku1 h VAL 182 Cb 0.30 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 3ku1 h VAL 182 CO -0.25 0.23 -0.03 -0.61 0.02 0.00 0.00 177.57 176.93 3ku1 h GLN 183 N 1.23 0.38 0.06 1.57 4.15 -0.46 -2.04 115.11 120.01 3ku1 h GLN 183 Ca 0.33 -0.13 0.02 0.00 0.77 0.00 0.00 58.65 59.64 3ku1 h GLN 183 Cb -0.14 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 27.47 3ku1 h GLN 183 CO -0.07 0.61 -0.46 -0.22 -1.93 0.00 0.00 178.83 176.75 3ku1 h LYS 184 N 0.12 -0.63 0.00 1.69 3.64 -1.23 0.60 116.57 120.76 3ku1 h LYS 184 Ca 0.05 0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 59.27 3ku1 h LYS 184 Cb 0.45 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 3ku1 h LYS 184 CO 0.02 -0.42 -0.89 -1.49 -2.27 0.00 0.00 179.45 174.39 3ku1 h TRP 185 N -0.66 0.35 -0.21 1.91 4.06 -1.55 -0.06 115.95 119.79 3ku1 h TRP 185 Ca 0.02 -0.20 0.05 0.00 2.06 0.00 0.00 58.89 60.83 3ku1 h TRP 185 Cb 0.70 -0.04 -0.06 0.00 -1.00 0.00 0.00 29.16 28.77 3ku1 h TRP 185 CO -0.43 1.01 -0.14 0.37 -3.56 0.00 0.00 178.44 175.69 3ku1 h GLN 186 N 0.13 -0.13 0.00 0.49 4.15 -1.30 0.45 115.11 118.90 3ku1 h GLN 186 Ca -0.05 0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.31 3ku1 h GLN 186 Cb 1.52 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 29.23 3ku1 h GLN 186 CO 0.14 -0.09 -0.34 -0.22 -1.93 0.00 0.00 178.83 176.39 3ku1 h LYS 187 N -0.14 0.00 -0.11 1.69 3.11 -0.27 -1.44 116.57 119.41 3ku1 h LYS 187 Ca 0.12 0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 57.77 3ku1 h LYS 187 Cb 0.32 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.55 3ku1 h LYS 187 CO -0.29 0.34 -0.71 1.49 -2.81 0.00 0.00 179.45 177.46 3ku1 h GLU 188 N 0.00 0.52 0.53 1.90 4.57 -0.69 -2.72 114.58 118.68 3ku1 h GLU 188 Ca -0.00 -0.41 -0.02 0.00 -1.18 0.00 0.00 59.36 57.74 3ku1 h GLU 188 Cb 0.61 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.28 3ku1 h GLU 188 CO 0.04 1.03 -0.27 0.00 -1.18 0.00 0.00 179.01 178.64 3ku1 h ALA 189 N 0.85 -0.73 -0.51 2.92 0.00 0.96 -2.78 119.26 119.97 3ku1 h ALA 189 Ca -0.03 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.82 3ku1 h ALA 189 Cb 1.30 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 19.31 3ku1 h ALA 189 CO 0.13 -0.91 0.08 1.05 0.00 0.00 0.00 179.25 179.59 3ku1 h GLU 190 N -0.73 0.20 -1.18 0.00 4.11 -1.48 -0.16 114.58 115.34 3ku1 h GLU 190 Ca -0.07 -0.01 0.38 0.00 0.07 0.00 0.00 59.36 59.72 3ku1 h GLU 190 Cb 0.57 -0.04 -0.13 0.00 0.50 0.00 0.00 28.75 29.64 3ku1 h GLU 190 CO 0.11 0.13 0.74 -0.22 0.07 0.00 0.00 179.01 179.84 3ku1 h LYS 191 N 0.20 0.19 0.00 1.06 3.11 -1.36 0.52 116.57 120.30 3ku1 h LYS 191 Ca 0.26 -0.01 -0.13 0.00 -2.81 0.00 0.00 60.65 57.96 3ku1 h LYS 191 Cb 0.37 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.53 3ku1 h LYS 191 CO -0.36 0.12 -0.78 -0.07 -2.81 0.00 0.00 179.45 175.55 3ku1 h LEU 192 N 0.19 0.00 -0.94 5.20 3.38 -0.95 -3.08 115.31 119.12 3ku1 h LEU 192 Ca 0.76 -0.48 0.24 0.00 0.09 0.00 0.00 57.88 58.49 3ku1 h LEU 192 Cb 2.15 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 42.77 3ku1 h LEU 192 CO -0.45 1.19 0.46 -0.33 0.09 0.00 0.00 178.44 179.40 3ku1 h GLU 193 N -1.00 0.41 -0.31 1.13 5.08 -0.78 0.32 114.58 119.43 3ku1 h GLU 193 Ca -0.19 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.20 3ku1 h GLU 193 Cb 1.01 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.11 3ku1 h GLU 193 CO -0.12 0.27 -0.05 0.35 -1.00 0.00 0.00 179.01 178.47 3ku1 h PHE 194 N 0.42 -0.11 -0.95 4.33 3.57 -0.05 -3.21 116.94 120.95 3ku1 h PHE 194 Ca 0.61 0.03 0.22 0.00 3.53 0.00 0.00 57.97 62.35 3ku1 h PHE 194 Cb 1.19 0.10 -0.12 0.00 2.79 0.00 0.00 35.95 39.91 3ku1 h PHE 194 CO -0.09 -0.10 0.50 0.00 -2.23 0.00 0.00 178.31 176.39 3ku1 h ALA 195 N 1.30 1.60 -0.56 2.41 0.00 -0.25 -3.51 119.26 120.24 3ku1 h ALA 195 Ca 0.15 0.13 -0.39 0.00 0.00 0.00 0.00 54.91 54.81 3ku1 h ALA 195 Cb 0.22 0.06 0.06 0.00 0.00 0.00 0.00 17.79 18.13 3ku1 h ALA 195 CO -0.30 -0.26 -0.26 1.28 0.00 0.00 0.00 179.25 179.71 3ku1 n LEU 196 N -4.94 -0.63 -0.08 0.00 7.99 -1.19 -5.12 117.00 113.04 3ku1 n LEU 196 Ca 0.24 0.64 -0.10 0.00 -0.01 0.00 0.00 56.01 56.78 3ku1 n LEU 196 Cb 0.67 -0.53 0.05 0.00 -0.11 0.00 0.00 43.42 43.49 3ku1 n LEU 196 CO 0.16 -1.62 0.60 1.05 -1.51 0.00 0.00 177.39 176.06 3ku1 h GLU 205 N 0.69 0.78 0.00 3.23 -0.00 -2.09 -3.53 114.58 113.66 3ku1 h GLU 205 Ca -0.17 -0.38 0.00 0.00 -0.00 0.00 0.00 59.36 58.80 3ku1 h GLU 205 Cb 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.56 3ku1 h GLU 205 CO 0.33 1.01 0.00 -1.91 -0.00 0.00 0.00 179.01 178.44 3ku1 n GLU 206 N -4.06 0.64 0.00 1.06 2.13 -1.26 -3.56 120.64 115.59 3ku1 n GLU 206 Ca -0.01 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3ku1 n GLU 206 Cb 0.51 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.72 3ku1 n GLU 206 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3ku1 n ARG 207 N -1.13 0.00 0.01 5.31 1.74 -1.26 -2.95 116.66 118.39 3ku1 n ARG 207 Ca 0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 3ku1 n ARG 207 Cb 0.14 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 3ku1 n ARG 207 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3ku1 n GLN 208 N 1.53 0.00 -0.13 5.56 -0.06 -1.23 -4.26 117.38 118.78 3ku1 n GLN 208 Ca 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 57.00 54.95 3ku1 n GLN 208 Cb 0.00 -0.50 0.02 0.00 -4.06 0.00 0.00 30.24 25.70 3ku1 n GLN 208 CO 0.00 0.00 0.00 -0.24 -0.20 0.00 0.00 177.06 176.62 3ku1 h VAL 209 N 0.00 0.45 0.20 1.69 3.04 -1.85 -2.88 116.25 116.89 3ku1 h VAL 209 Ca 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.70 3ku1 h VAL 209 Cb 0.74 0.45 -0.02 0.00 -2.01 0.00 0.00 31.29 30.45 3ku1 h VAL 209 CO 0.00 0.00 -0.25 -0.07 -1.01 0.00 0.00 177.57 176.24 3ku1 h LEU 210 N -0.08 -0.69 -0.98 3.16 4.07 -1.82 0.28 115.31 119.25 3ku1 h LEU 210 Ca 0.21 0.07 0.10 0.00 0.08 0.00 0.00 57.88 58.34 3ku1 h LEU 210 Cb 0.40 0.25 -0.12 0.00 1.08 0.00 0.00 40.66 42.27 3ku1 h LEU 210 CO -0.49 -0.36 -0.54 0.52 -1.08 0.00 0.00 178.44 176.49 3ku1 n VAL 211 N -5.37 -0.64 -0.10 1.22 0.31 -1.10 0.16 118.33 112.81 3ku1 n VAL 211 Ca -0.08 2.35 -0.12 0.00 -0.01 0.00 0.00 64.34 66.49 3ku1 n VAL 211 Cb 0.28 -2.94 0.01 0.00 -0.91 0.00 0.00 33.84 30.28 3ku1 n VAL 211 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3ku1 h ASP 212 N 0.00 0.92 0.11 4.52 5.19 -1.38 0.98 116.42 126.77 3ku1 h ASP 212 Ca 0.19 -0.41 0.02 0.00 -0.62 0.00 0.00 57.03 56.21 3ku1 h ASP 212 Cb 0.43 -0.26 -0.05 0.00 0.18 0.00 0.00 39.33 39.64 3ku1 h ASP 212 CO -0.93 1.18 -0.42 0.50 -3.12 0.00 0.00 179.24 176.45 3ku1 h LYS 213 N 0.72 -0.63 -0.41 3.56 3.64 0.32 0.74 116.57 124.50 3ku1 h LYS 213 Ca 0.06 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.55 3ku1 h LYS 213 Cb 0.94 0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.85 3ku1 h LYS 213 CO 0.09 -0.42 0.11 0.82 -2.27 0.00 0.00 179.45 177.78 3ku1 h ILE 214 N -0.65 0.83 -0.92 2.00 2.04 0.20 -0.99 117.51 120.02 3ku1 h ILE 214 Ca 0.02 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 65.84 3ku1 h ILE 214 Cb 0.68 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 37.25 3ku1 h ILE 214 CO -0.25 0.05 0.60 1.56 0.00 0.00 0.00 178.15 180.11 3ku1 h GLN 215 N 0.26 1.08 -0.37 2.37 1.08 0.12 -1.43 115.11 118.21 3ku1 h GLN 215 Ca 0.20 -0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.31 3ku1 h GLN 215 Cb 0.21 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 3ku1 h GLN 215 CO -0.23 0.72 0.15 0.00 -0.95 0.00 0.00 178.83 178.51 3ku1 h ALA 216 N 1.48 0.49 -0.43 3.87 0.00 0.17 -0.18 119.26 124.65 3ku1 h ALA 216 Ca 0.38 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 3ku1 h ALA 216 Cb 0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3ku1 h ALA 216 CO -0.12 0.09 0.01 0.82 0.00 0.00 0.00 179.25 180.05 3ku1 h ILE 217 N 0.46 1.26 -0.55 0.00 2.04 -0.82 -1.81 117.51 118.08 3ku1 h ILE 217 Ca 0.12 -1.01 0.07 0.00 1.00 0.00 0.00 64.86 65.04 3ku1 h ILE 217 Cb 0.20 1.06 -0.06 0.00 -0.74 0.00 0.00 36.82 37.28 3ku1 h ILE 217 CO -0.01 0.35 0.24 0.11 0.00 0.00 0.00 178.15 178.83 3ku1 h LYS 218 N 0.60 0.43 -0.72 2.37 1.57 -1.17 -2.44 116.57 117.20 3ku1 h LYS 218 Ca 0.12 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3ku1 h LYS 218 Cb 0.47 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.65 3ku1 h LYS 218 CO 0.02 0.29 0.48 1.49 -0.57 0.00 0.00 179.45 181.16 3ku1 h GLU 219 N 0.45 0.94 0.00 3.15 4.81 -0.41 0.29 114.58 123.81 3ku1 h GLU 219 Ca 0.26 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 3ku1 h GLU 219 Cb 0.26 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.42 3ku1 h GLU 219 CO -0.23 0.62 -0.82 1.55 -0.73 0.00 0.00 179.01 179.40 3ku1 n VAL 220 N -4.43 0.18 0.00 0.32 3.14 -0.74 -3.95 118.33 112.86 3ku1 n VAL 220 Ca 0.08 -0.19 -0.22 0.00 -2.96 0.00 0.00 64.34 61.05 3ku1 n VAL 220 Cb 0.04 0.17 -0.14 0.00 -1.06 0.00 0.00 33.84 32.85 3ku1 n VAL 220 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3ku1 h LEU 221 N 0.00 0.39 0.00 6.55 3.38 -1.30 -3.50 115.31 120.83 3ku1 h LEU 221 Ca 0.00 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.10 3ku1 h LEU 221 Cb 0.68 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3ku1 h LEU 221 CO 0.00 1.74 0.00 1.57 0.09 0.00 0.00 178.44 181.84