#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kl6 s VAL 17 N 0.00 5.21 0.00 1.39 1.01 0.68 -4.17 120.40 124.52 3kl6 s VAL 17 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.55 3kl6 s VAL 17 Cb 0.00 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.69 3kl6 s VAL 17 CO 0.00 0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.93 3kl6 n GLY 18 N 4.34 0.30 7.00 4.51 0.00 -1.26 -2.20 105.19 117.88 3kl6 n GLY 18 Ca -0.09 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 44.99 3kl6 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kl6 n GLY 19 N 0.00 0.87 3.49 -0.02 0.00 -1.26 -4.92 105.19 103.34 3kl6 n GLY 19 Ca 0.00 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 3kl6 n GLY 19 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kl6 s GLN 20 N 0.00 1.34 0.31 1.61 -2.07 -0.49 -4.99 119.66 115.37 3kl6 s GLN 20 Ca 0.00 -0.74 -0.29 0.00 -1.82 0.00 0.00 55.36 52.51 3kl6 s GLN 20 Cb 0.00 0.54 -0.10 0.00 -1.09 0.00 0.00 33.01 32.36 3kl6 s GLN 20 CO 0.00 -0.57 1.34 -1.21 -1.32 0.00 0.00 175.29 173.53 3kl6 s GLU 21 N -3.83 4.33 0.24 9.60 2.02 -1.26 -0.48 118.70 129.32 3kl6 s GLU 21 Ca 0.06 2.24 -0.30 0.00 0.02 0.00 0.00 54.97 56.99 3kl6 s GLU 21 Cb -0.01 -3.08 -0.10 0.00 0.10 0.00 0.00 34.13 31.04 3kl6 s GLU 21 CO -0.06 -0.25 1.46 0.00 0.02 0.00 0.00 175.26 176.43 3kl6 s LYS 23 N -0.20 3.09 0.09 0.00 1.02 -1.26 -4.93 119.74 117.55 3kl6 s LYS 23 Ca 0.61 0.24 -0.35 0.00 0.02 0.00 0.00 55.97 56.49 3kl6 s LYS 23 Cb -0.42 -2.20 -0.15 0.00 -0.52 0.00 0.00 37.83 34.54 3kl6 s LYS 23 CO 0.42 -0.69 1.54 -3.47 -0.92 0.00 0.00 175.35 172.24 3kl6 n ASP 24 N -2.66 2.65 0.00 2.83 2.03 -1.26 -1.29 116.55 118.85 3kl6 n ASP 24 Ca 0.05 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.44 3kl6 n ASP 24 Cb 0.57 -1.33 0.00 0.00 -0.72 0.00 0.00 41.12 39.63 3kl6 n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kl6 n GLY 25 N 3.28 2.37 0.16 0.27 0.00 -1.26 -4.94 105.19 105.06 3kl6 n GLY 25 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.03 3kl6 n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3kl6 h GLU 26 N 2.49 0.49 -1.79 1.61 4.81 -1.57 -3.37 114.58 117.25 3kl6 h GLU 26 Ca 0.00 -0.63 -0.54 0.00 -0.13 0.00 0.00 59.36 58.06 3kl6 h GLU 26 Cb 0.00 0.20 -0.41 0.00 0.63 0.00 0.00 28.75 29.17 3kl6 h GLU 26 CO 0.00 1.25 -0.83 0.00 -0.73 0.00 0.00 179.01 178.70 3kl6 n PRO 28 N -0.23 0.01 0.00 0.00 -0.04 -1.26 -2.25 135.00 131.23 3kl6 n PRO 28 Ca 0.30 0.10 0.14 0.00 -0.04 0.00 0.00 63.50 64.00 3kl6 n PRO 28 Cb 0.58 -1.51 0.56 0.00 -0.04 0.00 0.00 33.50 33.10 3kl6 n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3kl6 n TRP 29 N -1.52 0.00 -2.15 0.54 2.14 -1.10 -1.71 117.44 113.64 3kl6 n TRP 29 Ca 0.06 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.21 3kl6 n TRP 29 Cb 0.28 -0.06 -0.03 0.00 -0.81 0.00 0.00 31.31 30.69 3kl6 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 3kl6 s GLN 30 N -2.21 4.32 0.20 -2.67 2.00 -0.95 -0.49 119.66 119.85 3kl6 s GLN 30 Ca 0.34 2.11 0.11 0.00 -2.00 0.00 0.00 55.36 55.92 3kl6 s GLN 30 Cb 0.21 -3.23 -0.04 0.00 0.80 0.00 0.00 33.01 30.74 3kl6 s GLN 30 CO 0.41 -0.43 -0.21 0.00 -0.50 0.00 0.00 175.29 174.55 3kl6 s ALA 31 N 0.96 2.61 -0.12 1.58 0.00 -0.27 -4.45 121.76 122.06 3kl6 s ALA 31 Ca 0.64 -1.63 0.02 0.00 0.00 0.00 0.00 51.96 50.99 3kl6 s ALA 31 Cb -0.38 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.37 3kl6 s ALA 31 CO 0.32 0.43 -0.16 -1.17 0.00 0.00 0.00 175.76 175.17 3kl6 s LEU 32 N -2.75 1.80 -0.09 0.00 2.96 -0.40 -1.39 118.68 118.81 3kl6 s LEU 32 Ca 0.22 -0.48 -0.25 0.00 -0.22 0.00 0.00 54.13 53.40 3kl6 s LEU 32 Cb -0.08 -1.19 -0.03 0.00 0.50 0.00 0.00 46.19 45.40 3kl6 s LEU 32 CO 0.11 0.01 0.77 -0.76 -1.32 0.00 0.00 176.35 175.16 3kl6 s LEU 33 N 1.07 4.27 -0.08 -0.68 1.43 0.32 -0.12 118.68 124.90 3kl6 s LEU 33 Ca -0.04 1.23 0.05 0.00 -1.03 0.00 0.00 54.13 54.34 3kl6 s LEU 33 Cb -0.14 -3.18 -0.01 0.00 0.03 0.00 0.00 46.19 42.88 3kl6 s LEU 33 CO -0.04 -0.22 -0.23 0.27 0.23 0.00 0.00 176.35 176.36 3kl6 s ILE 34 N 1.27 2.21 0.16 -0.59 -4.36 -0.29 -1.46 121.20 118.14 3kl6 s ILE 34 Ca 0.39 -0.99 -0.02 0.00 -0.26 0.00 0.00 60.65 59.77 3kl6 s ILE 34 Cb -0.18 -1.83 0.04 0.00 1.25 0.00 0.00 42.46 41.74 3kl6 s ILE 34 CO 0.17 0.56 0.21 -0.46 0.24 0.00 0.00 174.94 175.67 3kl6 n ASN 35 N 3.18 0.05 0.29 4.36 0.23 -0.31 -1.14 115.26 121.93 3kl6 n ASN 35 Ca -0.18 -1.10 0.19 0.00 -0.53 0.00 0.00 54.58 52.96 3kl6 n ASN 35 Cb 0.52 -0.16 0.83 0.00 -2.08 0.00 0.00 39.78 38.90 3kl6 n ASN 35 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3kl6 h GLU 36 N 0.00 0.00 -0.62 -3.83 3.07 -1.90 -0.08 114.58 111.22 3kl6 h GLU 36 Ca -0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 3kl6 h GLU 36 Cb 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 3kl6 h GLU 36 CO 0.05 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 178.05 3kl6 n GLU 37 N -3.05 2.92 -1.30 2.33 1.02 -1.26 -4.94 120.64 116.36 3kl6 n GLU 37 Ca -0.00 -2.29 -0.10 0.00 -0.02 0.00 0.00 57.16 54.74 3kl6 n GLU 37 Cb 0.23 -1.66 -0.04 0.00 -0.02 0.00 0.00 31.44 29.95 3kl6 n GLU 37 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3kl6 n ASN 38 N 1.05 -4.76 -4.78 1.62 3.02 -0.04 -5.00 115.26 106.37 3kl6 n ASN 38 Ca 0.21 0.25 -0.37 0.00 -0.03 0.00 0.00 54.58 54.64 3kl6 n ASN 38 Cb 0.66 -3.17 -0.06 0.00 -0.61 0.00 0.00 39.78 36.60 3kl6 n ASN 38 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3kl6 s GLU 39 N -2.69 4.07 0.25 3.52 2.02 -1.26 -4.76 118.70 119.85 3kl6 s GLU 39 Ca 0.00 0.31 -0.30 0.00 0.02 0.00 0.00 54.97 55.00 3kl6 s GLU 39 Cb 0.00 -3.32 -0.10 0.00 0.10 0.00 0.00 34.13 30.81 3kl6 s GLU 39 CO 0.00 0.46 1.34 0.20 0.02 0.00 0.00 175.26 177.28 3kl6 s GLY 40 N -0.29 2.58 0.00 -1.39 0.00 -1.26 -1.17 107.32 105.79 3kl6 s GLY 40 Ca 0.22 1.22 0.00 0.00 0.00 0.00 0.00 44.72 46.15 3kl6 s GLY 40 CO 0.10 2.08 0.00 1.97 0.00 0.00 0.00 173.10 177.24 3kl6 n PHE 41 N 1.98 0.00 -3.55 1.90 1.16 -0.53 -4.94 117.46 113.49 3kl6 n PHE 41 Ca 0.04 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.51 3kl6 n PHE 41 Cb 0.42 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.26 3kl6 n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3kl6 s GLY 43 N -2.79 1.82 0.30 0.00 0.00 0.91 -0.52 107.32 107.04 3kl6 s GLY 43 Ca 0.03 -2.03 -0.18 0.00 0.00 0.00 0.00 44.72 42.55 3kl6 s GLY 43 CO -0.10 -1.73 0.69 -0.32 0.00 0.00 0.00 173.10 171.65 3kl6 s GLY 44 N -4.62 0.17 -0.12 0.20 0.00 -0.48 -3.51 107.32 98.97 3kl6 s GLY 44 Ca 0.58 -0.54 0.02 0.00 0.00 0.00 0.00 44.72 44.78 3kl6 s GLY 44 CO 0.37 -0.26 -0.19 -1.59 0.00 0.00 0.00 173.10 171.42 3kl6 s THR 45 N -3.55 1.81 -0.01 0.90 2.01 0.41 -1.12 115.64 116.09 3kl6 s THR 45 Ca 0.15 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 61.01 3kl6 s THR 45 Cb -0.05 -1.61 -0.06 0.00 0.01 0.00 0.00 72.50 70.80 3kl6 s THR 45 CO 0.09 0.50 1.49 -0.63 -0.69 0.00 0.00 174.62 175.38 3kl6 s ILE 46 N 0.77 3.59 -0.10 1.82 1.01 0.36 -0.49 121.20 128.15 3kl6 s ILE 46 Ca -0.10 0.93 0.13 0.00 0.00 0.00 0.00 60.65 61.62 3kl6 s ILE 46 Cb -0.16 -3.60 -0.19 0.00 0.01 0.00 0.00 42.46 38.52 3kl6 s ILE 46 CO 0.01 -0.02 0.13 0.18 0.00 0.00 0.00 174.94 175.24 3kl6 n LEU 47 N 5.80 0.00 0.00 2.97 4.77 -0.42 -1.42 117.00 128.71 3kl6 n LEU 47 Ca 0.14 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.09 3kl6 n LEU 47 Cb 0.43 0.24 0.02 0.00 -2.33 0.00 0.00 43.42 41.77 3kl6 n LEU 47 CO 0.60 0.24 0.48 -1.54 -1.33 0.00 0.00 177.39 175.84 3kl6 n SER 48 N -2.36 -1.31 0.29 -1.43 3.41 -1.13 -4.77 113.62 106.33 3kl6 n SER 48 Ca -0.16 -1.78 0.15 0.00 -0.26 0.00 0.00 58.87 56.82 3kl6 n SER 48 Cb 0.78 2.14 0.87 0.00 -0.26 0.00 0.00 64.21 67.75 3kl6 n SER 48 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 3kl6 h GLU 49 N 0.00 0.00 0.00 4.33 4.11 -1.98 -3.18 114.58 117.85 3kl6 h GLU 49 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.23 3kl6 h GLU 49 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 3kl6 h GLU 49 CO 0.26 0.05 -0.71 1.19 0.07 0.00 0.00 179.01 179.87 3kl6 n PHE 50 N -3.66 0.00 -4.94 2.06 3.72 -1.26 -0.31 117.46 113.08 3kl6 n PHE 50 Ca -0.02 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.11 3kl6 n PHE 50 Cb 0.15 -0.06 -0.16 0.00 -0.94 0.00 0.00 39.48 38.47 3kl6 n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 3kl6 s TYR 51 N -1.98 1.83 -0.06 1.38 2.02 -1.20 -0.30 117.35 119.04 3kl6 s TYR 51 Ca 0.01 -0.47 0.06 0.00 -0.37 0.00 0.00 57.07 56.29 3kl6 s TYR 51 Cb 0.05 -1.21 -0.01 0.00 -0.40 0.00 0.00 41.96 40.39 3kl6 s TYR 51 CO 0.29 -0.13 -0.24 0.42 -1.57 0.00 0.00 175.55 174.32 3kl6 s ILE 52 N -0.15 2.00 -0.08 2.71 -1.09 -0.24 -1.30 121.20 123.05 3kl6 s ILE 52 Ca -0.00 -1.03 -0.16 0.00 -2.23 0.00 0.00 60.65 57.23 3kl6 s ILE 52 Cb -0.11 -1.70 -0.05 0.00 -1.58 0.00 0.00 42.46 39.03 3kl6 s ILE 52 CO 0.01 0.55 0.42 -0.22 -1.23 0.00 0.00 174.94 174.48 3kl6 s LEU 53 N -0.06 4.35 0.00 2.97 2.96 0.35 -0.45 118.68 128.80 3kl6 s LEU 53 Ca -0.06 0.82 -0.00 0.00 -0.22 0.00 0.00 54.13 54.66 3kl6 s LEU 53 Cb -0.14 -2.60 0.00 0.00 0.50 0.00 0.00 46.19 43.95 3kl6 s LEU 53 CO 0.04 0.14 0.13 1.07 -1.32 0.00 0.00 176.35 176.41 3kl6 n THR 54 N 2.95 0.00 -3.51 3.68 5.66 -0.22 -0.45 114.28 122.40 3kl6 n THR 54 Ca -0.11 -0.53 -0.37 0.00 -3.05 0.00 0.00 64.05 60.00 3kl6 n THR 54 Cb 0.52 0.31 -0.06 0.00 -1.55 0.00 0.00 70.33 69.55 3kl6 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kl6 s ALA 55 N -1.98 3.69 0.36 1.79 0.00 -1.26 -1.25 121.76 123.12 3kl6 s ALA 55 Ca 0.09 -0.25 0.05 0.00 0.00 0.00 0.00 51.96 51.84 3kl6 s ALA 55 Cb -0.00 -2.37 0.71 0.00 0.00 0.00 0.00 23.12 21.46 3kl6 s ALA 55 CO 0.06 0.50 1.98 0.00 0.00 0.00 0.00 175.76 178.30 3kl6 h ALA 56 N 4.32 1.66 0.00 0.00 0.00 -1.70 -2.32 119.26 121.23 3kl6 h ALA 56 Ca -0.51 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 3kl6 h ALA 56 Cb 1.21 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 3kl6 h ALA 56 CO 0.63 0.25 -0.09 1.12 0.00 0.00 0.00 179.25 181.16 3kl6 h HIS 57 N 0.78 0.00 0.00 0.00 2.07 -1.93 -1.95 115.15 114.13 3kl6 h HIS 57 Ca 0.29 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.78 3kl6 h HIS 57 Cb 0.15 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.13 3kl6 h HIS 57 CO -0.00 0.09 -0.11 0.00 -3.07 0.00 0.00 177.93 174.84 3kl6 n LEU 59 N -4.07 0.31 -0.90 0.00 4.77 -0.73 -2.10 117.00 114.29 3kl6 n LEU 59 Ca -0.02 0.60 0.07 0.00 -0.03 0.00 0.00 56.01 56.62 3kl6 n LEU 59 Cb 0.20 -0.57 0.23 0.00 -2.33 0.00 0.00 43.42 40.94 3kl6 n LEU 59 CO 0.33 -0.50 0.69 -1.22 -1.33 0.00 0.00 177.39 175.36 3kl6 n TYR 60 N -1.87 0.82 -0.02 -1.77 4.02 -0.85 -4.33 117.16 113.16 3kl6 n TYR 60 Ca 0.02 -0.65 0.05 0.00 -0.01 0.00 0.00 57.90 57.31 3kl6 n TYR 60 Cb 0.15 -0.17 -0.15 0.00 -0.02 0.00 0.00 39.34 39.15 3kl6 n TYR 60 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3kl6 n GLN 61 N 0.27 0.66 -3.75 -0.72 1.13 -0.89 -4.95 117.38 109.12 3kl6 n GLN 61 Ca 0.18 -0.09 -0.12 0.00 -1.94 0.00 0.00 57.00 55.02 3kl6 n GLN 61 Cb 0.67 -1.57 -0.12 0.00 0.11 0.00 0.00 30.24 29.34 3kl6 n GLN 61 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kl6 s ALA 61 N -3.22 -0.74 0.07 -1.58 0.00 -1.26 -5.06 121.76 109.97 3kl6 s ALA 61 Ca -0.07 0.99 -0.37 0.00 0.00 0.00 0.00 51.96 52.51 3kl6 s ALA 61 Cb 0.11 -0.59 -0.19 0.00 0.00 0.00 0.00 23.12 22.45 3kl6 s ALA 61 CO 0.87 -0.17 1.58 0.87 0.00 0.00 0.00 175.76 178.90 3kl6 h LYS 62 N 6.30 -1.14 -6.50 0.00 1.57 -1.93 -3.44 116.57 111.44 3kl6 h LYS 62 Ca -0.32 0.08 -0.65 0.00 -1.87 0.00 0.00 60.65 57.89 3kl6 h LYS 62 Cb 1.18 0.26 -0.26 0.00 0.08 0.00 0.00 32.23 33.49 3kl6 h LYS 62 CO 0.33 -0.76 -0.86 1.03 -0.57 0.00 0.00 179.45 178.62 3kl6 s ARG 63 N -5.96 1.61 0.16 3.15 0.52 -1.26 -5.09 118.95 112.09 3kl6 s ARG 63 Ca -0.19 -1.07 -0.13 0.00 -0.52 0.00 0.00 55.73 53.82 3kl6 s ARG 63 Cb 0.03 -1.79 0.01 0.00 0.52 0.00 0.00 34.95 33.72 3kl6 s ARG 63 CO 0.61 0.46 0.38 -0.59 0.02 0.00 0.00 175.30 176.17 3kl6 s PHE 64 N -0.83 0.10 0.43 -0.53 -0.12 -1.26 -3.47 117.98 112.29 3kl6 s PHE 64 Ca 0.10 -0.45 0.03 0.00 -0.05 0.00 0.00 56.93 56.56 3kl6 s PHE 64 Cb -0.10 0.16 -0.03 0.00 -0.63 0.00 0.00 43.02 42.42 3kl6 s PHE 64 CO 0.02 -0.78 0.07 0.15 -0.05 0.00 0.00 175.22 174.64 3kl6 s LYS 65 N -3.90 1.97 -0.14 1.99 1.02 -0.29 -4.52 119.74 115.87 3kl6 s LYS 65 Ca 0.11 -2.20 0.01 0.00 0.02 0.00 0.00 55.97 53.91 3kl6 s LYS 65 Cb 0.02 -0.99 0.02 0.00 -0.52 0.00 0.00 37.83 36.35 3kl6 s LYS 65 CO -0.04 -0.37 -0.17 0.08 -0.92 0.00 0.00 175.35 173.94 3kl6 s VAL 66 N -3.09 1.68 -0.15 3.17 1.01 0.05 -1.14 120.40 121.93 3kl6 s VAL 66 Ca 0.21 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.39 3kl6 s VAL 66 Cb 0.04 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 3kl6 s VAL 66 CO 0.12 0.48 0.12 -0.60 0.00 0.00 0.00 175.10 175.21 3kl6 s ARG 67 N 1.16 3.74 0.15 2.72 3.52 0.83 -0.14 118.95 130.94 3kl6 s ARG 67 Ca -0.01 -0.20 0.09 0.00 -0.13 0.00 0.00 55.73 55.47 3kl6 s ARG 67 Cb -0.14 -3.25 -0.04 0.00 -1.56 0.00 0.00 34.95 29.96 3kl6 s ARG 67 CO -0.06 0.54 -0.20 0.14 -0.81 0.00 0.00 175.30 174.92 3kl6 s VAL 68 N -0.36 1.89 0.00 7.11 -7.23 0.01 -1.27 120.40 120.55 3kl6 s VAL 68 Ca 0.11 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 3kl6 s VAL 68 Cb -0.12 -1.83 0.00 0.00 0.56 0.00 0.00 36.38 34.99 3kl6 s VAL 68 CO 0.01 -0.22 0.00 0.61 -0.31 0.00 0.00 175.10 175.19 3kl6 n GLY 69 N 0.47 0.52 3.71 2.32 0.00 -1.26 -1.40 105.19 109.56 3kl6 n GLY 69 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3kl6 n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kl6 s ASP 70 N -2.18 7.19 0.00 1.61 3.68 -1.26 -4.15 116.67 121.57 3kl6 s ASP 70 Ca 0.00 1.44 0.00 0.00 2.13 0.00 0.00 52.55 56.12 3kl6 s ASP 70 Cb 0.00 -2.50 0.00 0.00 -1.45 0.00 0.00 42.92 38.97 3kl6 s ASP 70 CO 0.00 -0.19 0.00 0.54 0.13 0.00 0.00 175.17 175.65 3kl6 n ARG 71 N 3.82 2.51 -3.71 4.34 5.12 -1.26 -4.85 116.66 122.63 3kl6 n ARG 71 Ca 0.03 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.67 3kl6 n ARG 71 Cb 0.51 -0.96 -0.16 0.00 -1.16 0.00 0.00 32.46 30.68 3kl6 n ARG 71 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 3kl6 s ASN 72 N -2.48 2.85 0.54 0.55 3.84 -1.25 -1.67 114.94 117.30 3kl6 s ASN 72 Ca 0.00 -0.81 0.32 0.00 0.21 0.00 0.00 52.86 52.58 3kl6 s ASN 72 Cb 0.00 -0.53 1.28 0.00 -0.55 0.00 0.00 41.25 41.44 3kl6 s ASN 72 CO 0.00 -0.32 1.95 0.71 -2.79 0.00 0.00 177.10 176.65 3kl6 h THR 73 N 6.50 0.04 -0.02 -5.21 1.35 -1.02 -2.98 112.91 111.56 3kl6 h THR 73 Ca -0.16 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 3kl6 h THR 73 Cb 1.12 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 3kl6 h THR 73 CO 0.33 0.02 -0.06 -1.84 -0.25 0.00 0.00 175.52 173.72 3kl6 n GLU 74 N -3.12 1.92 -4.39 4.72 0.28 -1.26 -4.93 120.64 113.86 3kl6 n GLU 74 Ca 0.01 -1.44 -0.20 0.00 -0.16 0.00 0.00 57.16 55.37 3kl6 n GLU 74 Cb 0.33 -1.47 -0.14 0.00 1.43 0.00 0.00 31.44 31.59 3kl6 n GLU 74 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 3kl6 s GLN 75 N -2.07 0.92 0.21 3.44 -1.52 -1.13 -5.13 119.66 114.38 3kl6 s GLN 75 Ca 0.30 -0.64 -0.30 0.00 -1.95 0.00 0.00 55.36 52.77 3kl6 s GLN 75 Cb 0.20 -0.90 -0.08 0.00 -0.22 0.00 0.00 33.01 32.01 3kl6 s GLN 75 CO 0.35 0.23 1.07 -1.21 -0.25 0.00 0.00 175.29 175.47 3kl6 s GLU 76 N -0.87 4.65 -0.10 2.91 8.01 -1.26 -4.78 118.70 127.26 3kl6 s GLU 76 Ca 0.02 1.69 0.03 0.00 0.01 0.00 0.00 54.97 56.71 3kl6 s GLU 76 Cb -0.07 -3.26 -0.08 0.00 -4.31 0.00 0.00 34.13 26.42 3kl6 s GLU 76 CO 0.01 0.18 -0.06 0.39 0.01 0.00 0.00 175.26 175.79 3kl6 n GLU 77 N 1.96 0.94 -0.23 1.61 1.02 -1.26 -5.02 120.64 119.66 3kl6 n GLU 77 Ca 0.01 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3kl6 n GLU 77 Cb 0.46 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 3kl6 n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kl6 n GLY 78 N 2.87 0.67 0.00 0.62 0.00 -1.26 -4.86 105.19 103.24 3kl6 n GLY 78 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3kl6 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kl6 n GLY 79 N -2.00 0.72 3.87 -0.02 0.00 -1.26 -5.06 105.19 101.44 3kl6 n GLY 79 Ca 0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3kl6 n GLY 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kl6 s GLU 80 N -0.92 3.84 0.01 1.61 -1.05 -1.26 -4.66 118.70 116.27 3kl6 s GLU 80 Ca 0.00 0.44 -0.04 0.00 -0.15 0.00 0.00 54.97 55.22 3kl6 s GLU 80 Cb 0.00 -2.50 -0.01 0.00 -0.44 0.00 0.00 34.13 31.19 3kl6 s GLU 80 CO 0.01 0.15 0.06 0.00 0.95 0.00 0.00 175.26 176.43 3kl6 s ALA 81 N -2.07 -0.13 -0.15 -0.84 0.00 -0.49 -5.00 121.76 113.08 3kl6 s ALA 81 Ca 0.50 -0.30 -0.02 0.00 0.00 0.00 0.00 51.96 52.15 3kl6 s ALA 81 Cb -0.11 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 3kl6 s ALA 81 CO 0.24 -0.17 -0.08 0.08 0.00 0.00 0.00 175.76 175.83 3kl6 s VAL 82 N -1.30 3.46 -0.07 0.00 1.01 -1.26 -0.81 120.40 121.44 3kl6 s VAL 82 Ca -0.14 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.37 3kl6 s VAL 82 Cb -0.08 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 3kl6 s VAL 82 CO 0.00 0.50 -0.17 -1.00 0.00 0.00 0.00 175.10 174.44 3kl6 s HIS 83 N 0.49 2.66 0.49 5.22 3.76 0.80 -4.96 115.29 123.76 3kl6 s HIS 83 Ca -0.06 -0.41 -0.13 0.00 -0.15 0.00 0.00 55.06 54.32 3kl6 s HIS 83 Cb -0.15 -1.68 -0.06 0.00 1.11 0.00 0.00 32.58 31.80 3kl6 s HIS 83 CO 0.03 -0.01 0.90 -1.21 -0.85 0.00 0.00 174.74 173.61 3kl6 s GLU 84 N -0.33 3.80 -0.19 1.40 2.02 -1.26 -0.77 118.70 123.37 3kl6 s GLU 84 Ca 0.02 0.69 -0.15 0.00 0.02 0.00 0.00 54.97 55.56 3kl6 s GLU 84 Cb -0.13 -2.23 -0.04 0.00 0.10 0.00 0.00 34.13 31.83 3kl6 s GLU 84 CO 0.02 -0.23 0.34 0.08 0.02 0.00 0.00 175.26 175.49 3kl6 s VAL 85 N -2.64 5.25 -0.11 2.63 1.01 -1.26 -1.18 120.40 124.10 3kl6 s VAL 85 Ca 0.55 0.59 -0.28 0.00 0.00 0.00 0.00 61.98 62.84 3kl6 s VAL 85 Cb -0.10 -3.67 -0.25 0.00 0.00 0.00 0.00 36.38 32.35 3kl6 s VAL 85 CO 0.36 0.31 0.87 -0.08 0.00 0.00 0.00 175.10 176.56 3kl6 h GLU 86 N 7.18 0.04 -2.99 2.72 4.57 -0.29 -3.44 114.58 122.36 3kl6 h GLU 86 Ca -0.38 -0.05 -0.13 0.00 -1.18 0.00 0.00 59.36 57.62 3kl6 h GLU 86 Cb 1.16 0.02 -0.22 0.00 -0.16 0.00 0.00 28.75 29.55 3kl6 h GLU 86 CO 0.72 0.94 -0.30 0.54 -1.18 0.00 0.00 179.01 179.74 3kl6 s VAL 87 N -2.59 0.03 -0.20 0.32 0.11 -1.07 -5.01 120.40 112.00 3kl6 s VAL 87 Ca -0.18 -0.28 -0.08 0.00 -2.93 0.00 0.00 61.98 58.51 3kl6 s VAL 87 Cb -0.02 -0.55 -0.04 0.00 -1.53 0.00 0.00 36.38 34.24 3kl6 s VAL 87 CO 0.70 -0.15 0.08 -0.69 -3.33 0.00 0.00 175.10 171.71 3kl6 s VAL 88 N -0.70 4.87 -0.42 2.04 1.01 -1.26 -1.31 120.40 124.64 3kl6 s VAL 88 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 3kl6 s VAL 88 Cb -0.04 -3.22 0.11 0.00 0.00 0.00 0.00 36.38 33.24 3kl6 s VAL 88 CO 0.03 0.43 0.19 -0.63 0.00 0.00 0.00 175.10 175.12 3kl6 s ILE 89 N 0.57 3.10 -0.07 2.22 1.01 0.28 -5.01 121.20 123.31 3kl6 s ILE 89 Ca 0.04 -2.23 -0.09 0.00 0.00 0.00 0.00 60.65 58.37 3kl6 s ILE 89 Cb -0.13 -3.14 -0.05 0.00 0.01 0.00 0.00 42.46 39.15 3kl6 s ILE 89 CO 0.01 -0.69 0.24 -0.75 0.00 0.00 0.00 174.94 173.74 3kl6 s LYS 90 N 0.95 3.61 0.14 2.79 2.20 -1.26 -0.71 119.74 127.45 3kl6 s LYS 90 Ca 0.10 0.05 -0.31 0.00 -0.36 0.00 0.00 55.97 55.45 3kl6 s LYS 90 Cb -0.22 -3.19 -0.10 0.00 -1.51 0.00 0.00 37.83 32.81 3kl6 s LYS 90 CO -0.05 0.74 1.64 -1.58 -0.36 0.00 0.00 175.35 175.74 3kl6 s HIS 91 N -1.07 2.77 0.62 4.03 5.65 -0.88 -4.89 115.29 121.53 3kl6 s HIS 91 Ca 0.19 0.44 0.32 0.00 0.25 0.00 0.00 55.06 56.26 3kl6 s HIS 91 Cb -0.14 -3.99 1.78 0.00 -1.18 0.00 0.00 32.58 29.06 3kl6 s HIS 91 CO 0.08 -3.79 2.09 -0.91 -0.65 0.00 0.00 174.74 171.56 3kl6 h ASN 92 N 7.41 0.00 -0.06 9.88 4.21 -1.92 -2.77 115.58 132.33 3kl6 h ASN 92 Ca -0.43 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.08 3kl6 h ASN 92 Cb 1.20 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.40 3kl6 h ASN 92 CO 0.93 0.00 0.00 0.54 -1.29 0.00 0.00 177.43 177.61 3kl6 n ARG 93 N -3.45 1.92 -2.00 0.81 1.74 -1.26 -4.94 116.66 109.47 3kl6 n ARG 93 Ca 0.00 -1.78 -0.41 0.00 -0.77 0.00 0.00 57.85 54.89 3kl6 n ARG 93 Cb 0.31 -1.40 -0.02 0.00 -1.02 0.00 0.00 32.46 30.33 3kl6 n ARG 93 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3kl6 s PHE 94 N -1.68 3.03 0.05 -1.55 5.36 -1.05 -4.71 117.98 117.43 3kl6 s PHE 94 Ca 0.25 0.96 0.03 0.00 -0.96 0.00 0.00 56.93 57.21 3kl6 s PHE 94 Cb 0.18 -3.83 -0.03 0.00 -0.34 0.00 0.00 43.02 38.99 3kl6 s PHE 94 CO 0.26 -2.78 -0.09 0.95 -1.46 0.00 0.00 175.22 172.09 3kl6 s THR 95 N 0.21 0.70 0.30 0.12 -4.23 -1.25 -5.04 115.64 106.45 3kl6 s THR 95 Ca 0.61 -1.20 0.27 0.00 -1.18 0.00 0.00 61.69 60.19 3kl6 s THR 95 Cb -0.42 -0.80 0.28 0.00 1.34 0.00 0.00 72.50 72.90 3kl6 s THR 95 CO 0.41 -0.38 1.99 0.07 -0.54 0.00 0.00 174.62 176.16 3kl6 h LYS 96 N 4.32 0.00 -0.17 3.99 2.10 -1.95 -0.32 116.57 124.54 3kl6 h LYS 96 Ca -0.37 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.16 3kl6 h LYS 96 Cb 1.20 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 3kl6 h LYS 96 CO 0.42 0.15 -0.42 0.93 -2.00 0.00 0.00 179.45 178.54 3kl6 h GLU 97 N 0.00 0.39 0.00 0.07 3.07 -2.00 -3.36 114.58 112.75 3kl6 h GLU 97 Ca -0.00 -0.19 -0.09 0.00 -0.50 0.00 0.00 59.36 58.57 3kl6 h GLU 97 Cb 0.49 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.38 3kl6 h GLU 97 CO 0.02 0.74 -1.45 0.25 -1.40 0.00 0.00 179.01 177.17 3kl6 n THR 98 N -4.02 0.35 -1.19 1.13 -2.24 -1.16 -4.99 114.28 102.16 3kl6 n THR 98 Ca -0.02 -0.26 -0.09 0.00 -2.27 0.00 0.00 64.05 61.41 3kl6 n THR 98 Cb 0.50 -0.50 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 3kl6 n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3kl6 n TYR 99 N -2.12 -0.04 -2.06 4.78 4.02 -0.14 -4.94 117.16 116.65 3kl6 n TYR 99 Ca -0.09 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.47 3kl6 n TYR 99 Cb 0.58 -2.48 0.01 0.00 -0.02 0.00 0.00 39.34 37.43 3kl6 n TYR 99 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3kl6 s ASP 100 N -2.17 5.63 -1.40 7.72 2.15 -1.26 -3.63 116.67 123.72 3kl6 s ASP 100 Ca 0.00 1.96 -0.10 0.00 0.43 0.00 0.00 52.55 54.84 3kl6 s ASP 100 Cb 0.00 -2.55 0.03 0.00 -0.30 0.00 0.00 42.92 40.10 3kl6 s ASP 100 CO 0.00 -1.27 1.11 0.49 -0.17 0.00 0.00 175.17 175.33 3kl6 n PHE 101 N -1.86 -2.66 -2.32 -5.34 3.72 -1.26 -3.86 117.46 103.87 3kl6 n PHE 101 Ca 0.10 0.98 -0.43 0.00 -0.05 0.00 0.00 57.45 58.05 3kl6 n PHE 101 Cb 0.52 -4.73 0.00 0.00 -0.94 0.00 0.00 39.48 34.33 3kl6 n PHE 101 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3kl6 n ASP 102 N -2.97 4.62 -3.74 4.37 2.03 -1.24 -4.13 116.55 115.48 3kl6 n ASP 102 Ca -0.01 -2.91 -0.13 0.00 0.52 0.00 0.00 54.79 52.27 3kl6 n ASP 102 Cb 0.56 -1.70 -0.10 0.00 -0.72 0.00 0.00 41.12 39.16 3kl6 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3kl6 s ILE 103 N 3.55 -0.00 0.04 5.18 2.07 -1.26 -4.00 121.20 126.78 3kl6 s ILE 103 Ca 0.50 0.01 -0.10 0.00 -1.41 0.00 0.00 60.65 59.65 3kl6 s ILE 103 Cb 0.07 -0.52 0.01 0.00 0.13 0.00 0.00 42.46 42.14 3kl6 s ILE 103 CO 0.02 0.00 0.22 0.00 -1.91 0.00 0.00 174.94 173.27 3kl6 s ALA 104 N 0.26 -0.42 -0.03 1.50 0.00 -0.38 -2.07 121.76 120.62 3kl6 s ALA 104 Ca -0.01 -0.23 0.07 0.00 0.00 0.00 0.00 51.96 51.79 3kl6 s ALA 104 Cb -0.03 0.30 -0.01 0.00 0.00 0.00 0.00 23.12 23.37 3kl6 s ALA 104 CO -0.00 -0.38 -0.23 0.08 0.00 0.00 0.00 175.76 175.23 3kl6 s VAL 105 N -2.61 1.88 -0.15 0.00 1.01 0.11 -1.06 120.40 119.58 3kl6 s VAL 105 Ca -0.05 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 60.91 3kl6 s VAL 105 Cb -0.01 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 3kl6 s VAL 105 CO -0.04 0.53 -0.07 -0.76 0.00 0.00 0.00 175.10 174.76 3kl6 s LEU 106 N -0.38 3.05 -0.23 3.92 1.43 0.41 -0.56 118.68 126.33 3kl6 s LEU 106 Ca 0.04 -0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 52.81 3kl6 s LEU 106 Cb -0.11 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.34 3kl6 s LEU 106 CO 0.01 0.15 0.22 -0.60 0.23 0.00 0.00 176.35 176.35 3kl6 s ARG 107 N 0.47 4.10 0.38 1.70 3.00 -0.43 -1.08 118.95 127.10 3kl6 s ARG 107 Ca -0.05 -0.15 -0.15 0.00 -1.00 0.00 0.00 55.73 54.37 3kl6 s ARG 107 Cb -0.15 -3.53 -0.09 0.00 0.00 0.00 0.00 34.95 31.18 3kl6 s ARG 107 CO 0.03 0.05 0.81 -0.51 0.00 0.00 0.00 175.30 175.68 3kl6 s LEU 108 N 1.08 3.95 0.21 -0.88 1.43 0.59 0.39 118.68 125.45 3kl6 s LEU 108 Ca 0.10 1.35 -0.05 0.00 -1.03 0.00 0.00 54.13 54.50 3kl6 s LEU 108 Cb -0.14 -4.20 0.16 0.00 0.03 0.00 0.00 46.19 42.05 3kl6 s LEU 108 CO 0.05 -0.31 1.63 0.11 0.23 0.00 0.00 176.35 178.05 3kl6 h LYS 109 N 1.85 0.83 -6.05 1.70 1.57 -1.44 -3.41 116.57 111.63 3kl6 h LYS 109 Ca -0.48 -0.33 -0.59 0.00 -1.87 0.00 0.00 60.65 57.39 3kl6 h LYS 109 Cb 1.18 -0.04 -0.27 0.00 0.08 0.00 0.00 32.23 33.17 3kl6 h LYS 109 CO 0.64 0.95 -0.85 0.95 -0.57 0.00 0.00 179.45 180.58 3kl6 s THR 110 N -4.66 1.64 0.46 -0.16 -4.23 -1.26 -5.01 115.64 102.42 3kl6 s THR 110 Ca -0.10 -1.07 -0.22 0.00 -1.18 0.00 0.00 61.69 59.12 3kl6 s THR 110 Cb 0.13 -1.40 -0.08 0.00 1.34 0.00 0.00 72.50 72.49 3kl6 s THR 110 CO 0.84 0.30 1.10 -2.16 -0.54 0.00 0.00 174.62 174.16 3kl6 s PRO 111 N -0.91 3.81 0.15 3.99 0.04 -1.26 -4.90 135.00 135.92 3kl6 s PRO 111 Ca 0.08 1.59 -0.30 0.00 0.04 0.00 0.00 61.00 62.41 3kl6 s PRO 111 Cb -0.08 -2.31 -0.07 0.00 0.04 0.00 0.00 34.50 32.07 3kl6 s PRO 111 CO 0.01 -0.47 1.10 0.42 0.04 0.00 0.00 177.00 178.11 3kl6 s ILE 112 N -1.70 3.96 -0.38 0.56 1.01 0.58 -5.02 121.20 120.21 3kl6 s ILE 112 Ca 0.64 1.63 -0.19 0.00 0.00 0.00 0.00 60.65 62.73 3kl6 s ILE 112 Cb -0.24 -4.04 0.01 0.00 0.01 0.00 0.00 42.46 38.20 3kl6 s ILE 112 CO 0.28 0.25 0.56 0.42 0.00 0.00 0.00 174.94 176.46 3kl6 s THR 113 N 0.02 4.95 0.35 2.92 -4.23 -1.26 -4.73 115.64 113.66 3kl6 s THR 113 Ca 0.51 0.25 -0.28 0.00 -1.18 0.00 0.00 61.69 60.99 3kl6 s THR 113 Cb -0.29 -4.06 -0.10 0.00 1.34 0.00 0.00 72.50 69.39 3kl6 s THR 113 CO 0.33 -0.36 1.32 -0.36 -0.54 0.00 0.00 174.62 175.01 3kl6 s PHE 114 N 2.55 2.97 0.06 3.99 0.08 -1.26 -4.96 117.98 121.41 3kl6 s PHE 114 Ca 0.20 1.40 -0.06 0.00 0.12 0.00 0.00 56.93 58.59 3kl6 s PHE 114 Cb -0.15 -3.70 0.02 0.00 -0.57 0.00 0.00 43.02 38.63 3kl6 s PHE 114 CO 0.15 -1.97 0.30 2.89 -0.10 0.00 0.00 175.22 176.50 3kl6 n ARG 115 N 0.63 0.20 -1.66 0.44 1.85 -0.57 -5.02 116.66 112.54 3kl6 n ARG 115 Ca 0.01 -0.46 -0.47 0.00 -1.00 0.00 0.00 57.85 55.93 3kl6 n ARG 115 Cb 0.42 0.62 -0.04 0.00 -1.05 0.00 0.00 32.46 32.40 3kl6 n ARG 115 CO 0.00 0.00 0.00 -0.12 -0.01 0.00 0.00 177.63 177.50 3kl6 n MET 116 N -0.21 1.96 -1.09 2.89 0.00 -1.26 -1.25 117.12 118.16 3kl6 n MET 116 Ca -0.01 0.71 -0.03 0.00 -0.00 0.00 0.00 57.70 58.37 3kl6 n MET 116 Cb 0.17 -2.44 -0.01 0.00 0.00 0.00 0.00 33.22 30.94 3kl6 n MET 116 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3kl6 n ASN 117 N 3.11 -4.69 -3.52 6.12 3.02 -1.26 -4.94 115.26 113.10 3kl6 n ASN 117 Ca 0.17 0.07 -0.27 0.00 -0.03 0.00 0.00 54.58 54.52 3kl6 n ASN 117 Cb 0.27 -2.46 -0.14 0.00 -0.61 0.00 0.00 39.78 36.85 3kl6 n ASN 117 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kl6 s VAL 118 N -1.67 -0.13 0.03 2.41 1.01 -0.38 -4.07 120.40 117.59 3kl6 s VAL 118 Ca 0.00 -0.64 -0.28 0.00 0.00 0.00 0.00 61.98 61.06 3kl6 s VAL 118 Cb 0.00 -0.93 0.07 0.00 0.00 0.00 0.00 36.38 35.52 3kl6 s VAL 118 CO 0.00 -0.63 0.65 0.00 0.00 0.00 0.00 175.10 175.13 3kl6 s ALA 119 N 2.15 -1.71 0.37 5.51 0.00 -0.70 -1.50 121.76 125.88 3kl6 s ALA 119 Ca 0.08 1.01 -0.20 0.00 0.00 0.00 0.00 51.96 52.86 3kl6 s ALA 119 Cb -0.16 0.33 -0.10 0.00 0.00 0.00 0.00 23.12 23.19 3kl6 s ALA 119 CO -0.33 -0.52 0.87 -1.25 0.00 0.00 0.00 175.76 174.53 3kl6 s PRO 120 N -2.15 4.21 0.48 0.00 0.04 -1.26 -2.71 135.00 133.61 3kl6 s PRO 120 Ca -0.06 1.00 -0.18 0.00 0.04 0.00 0.00 61.00 61.80 3kl6 s PRO 120 Cb -0.00 -2.37 -0.09 0.00 0.04 0.00 0.00 34.50 32.07 3kl6 s PRO 120 CO 0.01 0.09 0.97 0.00 0.04 0.00 0.00 177.00 178.11 3kl6 s ALA 121 N -2.01 3.07 0.16 8.56 0.00 -0.50 -4.89 121.76 126.14 3kl6 s ALA 121 Ca 0.57 0.24 -0.28 0.00 0.00 0.00 0.00 51.96 52.49 3kl6 s ALA 121 Cb -0.11 -3.11 -0.07 0.00 0.00 0.00 0.00 23.12 19.82 3kl6 s ALA 121 CO 0.16 -0.11 0.87 0.00 0.00 0.00 0.00 175.76 176.68 3kl6 s LEU 123 N -0.77 4.45 0.97 0.00 1.43 -1.26 -1.16 118.68 122.35 3kl6 s LEU 123 Ca 0.40 1.89 -0.15 0.00 -1.03 0.00 0.00 54.13 55.24 3kl6 s LEU 123 Cb -0.24 -3.59 0.18 0.00 0.03 0.00 0.00 46.19 42.57 3kl6 s LEU 123 CO 0.28 -0.21 1.20 -2.16 0.23 0.00 0.00 176.35 175.69 3kl6 s PRO 124 N 0.23 0.66 -0.13 1.29 0.04 -1.26 -4.96 135.00 130.88 3kl6 s PRO 124 Ca 0.50 -0.02 -0.03 0.00 0.04 0.00 0.00 61.00 61.50 3kl6 s PRO 124 Cb -0.26 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 3kl6 s PRO 124 CO 0.31 -2.47 -0.02 -2.00 0.04 0.00 0.00 177.00 172.87 3kl6 s GLU 124 N -5.53 3.39 0.04 4.56 -6.30 -1.26 -5.03 118.70 108.56 3kl6 s GLU 124 Ca 0.68 -0.46 -0.20 0.00 -2.50 0.00 0.00 54.97 52.48 3kl6 s GLU 124 Cb -0.10 -2.88 -0.11 0.00 0.00 0.00 0.00 34.13 31.04 3kl6 s GLU 124 CO 0.53 0.44 1.31 -0.09 0.02 0.00 0.00 175.26 177.47 3kl6 h ARG 125 N 6.04 -0.68 -0.25 4.30 2.43 -1.98 0.11 114.38 124.36 3kl6 h ARG 125 Ca -0.40 0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 58.69 3kl6 h ARG 125 Cb 1.19 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 3kl6 h ARG 125 CO 0.60 -0.45 -0.37 0.38 -1.51 0.00 0.00 179.97 178.61 3kl6 h ASP 126 N -0.70 0.59 -0.50 -3.80 2.03 -1.97 -0.34 116.42 111.72 3kl6 h ASP 126 Ca -0.07 -0.25 -0.01 0.00 -0.73 0.00 0.00 57.03 55.98 3kl6 h ASP 126 Cb 0.55 -0.16 -0.02 0.00 -0.83 0.00 0.00 39.33 38.86 3kl6 h ASP 126 CO 0.09 0.91 0.28 -0.25 -1.03 0.00 0.00 179.24 179.24 3kl6 h TRP 127 N 0.47 0.68 -0.40 4.15 7.01 -1.99 -2.43 115.95 123.44 3kl6 h TRP 127 Ca 0.05 -0.01 -0.13 0.00 2.11 0.00 0.00 58.89 60.91 3kl6 h TRP 127 Cb 0.86 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.69 3kl6 h TRP 127 CO 0.03 0.49 -0.26 0.00 -2.79 0.00 0.00 178.44 175.92 3kl6 h ALA 128 N 1.12 0.79 -0.80 2.65 0.00 -0.37 0.65 119.26 123.30 3kl6 h ALA 128 Ca 0.18 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.73 3kl6 h ALA 128 Cb 0.03 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 3kl6 h ALA 128 CO -0.03 0.65 0.52 0.93 0.00 0.00 0.00 179.25 181.32 3kl6 h GLU 129 N 0.72 0.93 0.00 0.00 5.08 -0.99 0.10 114.58 120.42 3kl6 h GLU 129 Ca 0.09 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 3kl6 h GLU 129 Cb 0.80 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 3kl6 h GLU 129 CO 0.07 0.61 -1.43 -1.13 -1.00 0.00 0.00 179.01 176.13 3kl6 n SER 130 N -4.46 0.77 0.00 1.42 3.41 -0.92 -4.46 113.62 109.39 3kl6 n SER 130 Ca 0.11 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 3kl6 n SER 130 Cb 0.13 0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 3kl6 n SER 130 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3kl6 n THR 131 N -2.82 0.00 -0.11 6.66 -1.04 0.19 -4.69 114.28 112.47 3kl6 n THR 131 Ca -0.09 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.68 3kl6 n THR 131 Cb 0.80 -0.49 -0.11 0.00 -1.82 0.00 0.00 70.33 68.70 3kl6 n THR 131 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3kl6 n LEU 131 N -1.29 1.90 0.00 -4.42 7.94 -0.44 -4.16 117.00 116.53 3kl6 n LEU 131 Ca 0.00 0.39 0.04 0.00 -1.11 0.00 0.00 56.01 55.34 3kl6 n LEU 131 Cb 0.26 -0.92 0.20 0.00 0.53 0.00 0.00 43.42 43.48 3kl6 n LEU 131 CO 0.00 0.37 0.64 0.23 -1.11 0.00 0.00 177.39 177.52 3kl6 n MET 131 N -4.37 0.02 -0.04 1.96 2.81 0.23 -2.25 117.12 115.48 3kl6 n MET 131 Ca -0.39 0.32 0.12 0.00 -1.81 0.00 0.00 57.70 55.94 3kl6 n MET 131 Cb 0.75 -1.50 0.15 0.00 -0.71 0.00 0.00 33.22 31.91 3kl6 n MET 131 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3kl6 n THR 132 N -1.47 0.11 -1.07 2.03 -2.24 -1.26 -4.94 114.28 105.45 3kl6 n THR 132 Ca 0.03 -0.54 -0.31 0.00 -2.27 0.00 0.00 64.05 60.96 3kl6 n THR 132 Cb 0.10 1.31 0.13 0.00 -2.10 0.00 0.00 70.33 69.78 3kl6 n THR 132 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3kl6 s GLN 133 N -1.89 1.52 0.19 -0.78 -1.52 -0.95 -4.96 119.66 111.27 3kl6 s GLN 133 Ca 0.31 1.16 -0.06 0.00 -1.95 0.00 0.00 55.36 54.82 3kl6 s GLN 133 Cb 0.21 -1.81 0.10 0.00 -0.22 0.00 0.00 33.01 31.28 3kl6 s GLN 133 CO 0.31 -2.15 1.56 0.87 -0.25 0.00 0.00 175.29 175.62 3kl6 h LYS 134 N -1.50 0.80 -3.94 2.91 1.57 -1.92 -3.43 116.57 111.06 3kl6 h LYS 134 Ca -0.46 -0.38 -0.10 0.00 -1.87 0.00 0.00 60.65 57.85 3kl6 h LYS 134 Cb 1.26 -0.01 -0.14 0.00 0.08 0.00 0.00 32.23 33.42 3kl6 h LYS 134 CO 0.50 1.01 -0.46 0.95 -0.57 0.00 0.00 179.45 180.88 3kl6 s THR 135 N -4.44 0.16 0.27 -0.16 -4.23 -1.26 -1.45 115.64 104.53 3kl6 s THR 135 Ca -0.10 -1.37 0.02 0.00 -1.18 0.00 0.00 61.69 59.07 3kl6 s THR 135 Cb 0.12 -1.42 -0.01 0.00 1.34 0.00 0.00 72.50 72.53 3kl6 s THR 135 CO 0.85 -0.73 0.08 0.61 -0.54 0.00 0.00 174.62 174.89 3kl6 n GLY 136 N -0.02 3.58 3.07 3.99 0.00 -0.38 -4.68 105.19 110.74 3kl6 n GLY 136 Ca -0.14 -2.08 -0.26 0.00 0.00 0.00 0.00 46.02 43.54 3kl6 n GLY 136 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kl6 s ILE 137 N -2.48 1.31 0.05 -0.61 1.01 0.79 -0.67 121.20 120.59 3kl6 s ILE 137 Ca 0.12 -0.59 0.05 0.00 0.00 0.00 0.00 60.65 60.23 3kl6 s ILE 137 Cb 0.01 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 3kl6 s ILE 137 CO 0.08 0.39 -0.08 0.54 0.00 0.00 0.00 174.94 175.87 3kl6 s VAL 138 N 0.54 3.50 0.05 2.92 0.11 -0.37 -0.73 120.40 126.41 3kl6 s VAL 138 Ca -0.14 -1.02 -0.02 0.00 -2.93 0.00 0.00 61.98 57.87 3kl6 s VAL 138 Cb -0.16 -2.58 -0.03 0.00 -1.53 0.00 0.00 36.38 32.09 3kl6 s VAL 138 CO 0.04 0.25 0.01 -0.94 -3.33 0.00 0.00 175.10 171.14 3kl6 s SER 139 N -1.81 0.37 0.00 3.54 1.04 -1.09 -0.75 113.70 115.00 3kl6 s SER 139 Ca 0.19 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.82 3kl6 s SER 139 Cb -0.11 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.21 3kl6 s SER 139 CO 0.11 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.40 3kl6 n GLY 140 N 0.48 -0.69 0.95 7.32 0.00 -0.21 -4.37 105.19 108.67 3kl6 n GLY 140 Ca -0.17 -1.20 0.08 0.00 0.00 0.00 0.00 46.02 44.73 3kl6 n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kl6 n PHE 141 N -0.68 0.82 -0.94 1.61 3.01 -1.26 -1.81 117.46 118.21 3kl6 n PHE 141 Ca 0.00 -0.60 -0.14 0.00 1.01 0.00 0.00 57.45 57.71 3kl6 n PHE 141 Cb 0.00 -0.13 0.12 0.00 -0.01 0.00 0.00 39.48 39.46 3kl6 n PHE 141 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kl6 n GLY 142 N 0.52 -2.27 3.64 1.37 0.00 -1.26 -2.19 105.19 105.01 3kl6 n GLY 142 Ca 0.18 -1.53 -0.40 0.00 0.00 0.00 0.00 46.02 44.27 3kl6 n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kl6 n ARG 143 N -2.93 1.45 0.00 1.61 1.74 0.14 -2.25 116.66 116.43 3kl6 n ARG 143 Ca 0.08 0.52 0.13 0.00 -0.77 0.00 0.00 57.85 57.81 3kl6 n ARG 143 Cb 0.28 -2.18 0.27 0.00 -1.02 0.00 0.00 32.46 29.81 3kl6 n ARG 143 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3kl6 n THR 144 N -0.65 0.00 -3.78 0.55 -2.24 -0.63 -0.91 114.28 106.62 3kl6 n THR 144 Ca 0.09 -0.24 -0.04 0.00 -2.27 0.00 0.00 64.05 61.59 3kl6 n THR 144 Cb 0.41 0.80 -0.01 0.00 -2.10 0.00 0.00 70.33 69.43 3kl6 n THR 144 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 3kl6 s HIS 145 N -2.31 -0.10 0.12 4.78 0.00 -1.26 -4.22 115.29 112.30 3kl6 s HIS 145 Ca 0.26 -0.24 -0.31 0.00 -3.00 0.00 0.00 55.06 51.78 3kl6 s HIS 145 Cb 0.19 0.66 -0.10 0.00 -4.00 0.00 0.00 32.58 29.34 3kl6 s HIS 145 CO 0.46 -0.88 1.67 -2.00 -1.00 0.00 0.00 174.74 172.98 3kl6 s GLU 147 N -3.15 4.18 0.00 -0.38 2.12 -1.26 -0.55 118.70 119.67 3kl6 s GLU 147 Ca 0.13 2.42 0.00 0.00 0.36 0.00 0.00 54.97 57.88 3kl6 s GLU 147 Cb -0.02 -3.41 0.00 0.00 0.26 0.00 0.00 34.13 30.96 3kl6 s GLU 147 CO 0.03 -0.72 0.00 1.63 -0.54 0.00 0.00 175.26 175.66 3kl6 n LYS 148 N 4.96 0.00 -1.91 4.30 5.02 -1.26 -5.03 118.16 124.24 3kl6 n LYS 148 Ca 0.16 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.15 3kl6 n LYS 148 Cb 0.39 -2.60 0.05 0.00 -0.02 0.00 0.00 35.03 32.84 3kl6 n LYS 148 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3kl6 s GLY 149 N -2.00 1.62 0.63 0.72 0.00 0.29 -5.05 107.32 103.54 3kl6 s GLY 149 Ca 0.00 -0.39 -0.16 0.00 0.00 0.00 0.00 44.72 44.17 3kl6 s GLY 149 CO 0.00 -0.01 1.11 0.50 0.00 0.00 0.00 173.10 174.70 3kl6 s ARG 150 N -5.36 2.93 0.77 2.90 0.52 -1.26 -4.50 118.95 114.95 3kl6 s ARG 150 Ca 0.58 1.42 -0.12 0.00 -0.52 0.00 0.00 55.73 57.10 3kl6 s ARG 150 Cb -0.11 -1.96 0.06 0.00 0.52 0.00 0.00 34.95 33.45 3kl6 s ARG 150 CO 0.51 -1.15 1.11 -0.65 0.02 0.00 0.00 175.30 175.14 3kl6 s GLN 151 N -3.94 2.16 -0.02 3.54 -0.21 -1.26 -1.60 119.66 118.32 3kl6 s GLN 151 Ca 0.68 1.30 -0.22 0.00 0.02 0.00 0.00 55.36 57.14 3kl6 s GLN 151 Cb -0.21 -1.88 -0.05 0.00 1.00 0.00 0.00 33.01 31.88 3kl6 s GLN 151 CO 0.39 -1.74 0.65 0.45 -2.12 0.00 0.00 175.29 172.92 3kl6 s SER 152 N -3.05 7.00 0.39 5.90 0.15 -0.93 -4.83 113.70 118.33 3kl6 s SER 152 Ca 0.64 1.19 0.26 0.00 0.70 0.00 0.00 55.95 58.74 3kl6 s SER 152 Cb -0.19 -2.39 0.71 0.00 -1.71 0.00 0.00 66.02 62.44 3kl6 s SER 152 CO 0.53 0.01 1.73 0.71 1.20 0.00 0.00 173.24 177.43 3kl6 h THR 153 N 4.36 0.00 -3.49 6.45 1.35 -1.93 -3.44 112.91 116.21 3kl6 h THR 153 Ca -0.43 -0.71 -0.67 0.00 -0.55 0.00 0.00 66.41 64.04 3kl6 h THR 153 Cb 1.20 1.69 -0.15 0.00 -1.73 0.00 0.00 68.15 69.16 3kl6 h THR 153 CO 0.72 0.00 -0.68 -0.13 -0.25 0.00 0.00 175.52 175.18 3kl6 s ARG 154 N -3.29 2.63 0.06 4.72 1.81 -1.26 -0.34 118.95 123.29 3kl6 s ARG 154 Ca 0.06 -0.70 -0.31 0.00 -1.72 0.00 0.00 55.73 53.07 3kl6 s ARG 154 Cb 0.08 -2.57 -0.07 0.00 -0.45 0.00 0.00 34.95 31.94 3kl6 s ARG 154 CO 0.60 0.60 1.49 -1.17 -0.68 0.00 0.00 175.30 176.14 3kl6 s LEU 155 N -1.57 4.35 0.21 2.53 2.96 -0.67 -4.73 118.68 121.76 3kl6 s LEU 155 Ca 0.19 2.31 0.09 0.00 -0.22 0.00 0.00 54.13 56.50 3kl6 s LEU 155 Cb -0.11 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 3kl6 s LEU 155 CO 0.10 -0.76 -0.08 -0.54 -1.32 0.00 0.00 176.35 173.74 3kl6 s LYS 156 N 2.08 2.09 0.10 1.98 1.02 -0.75 -0.91 119.74 125.34 3kl6 s LYS 156 Ca 0.67 -1.35 0.02 0.00 0.02 0.00 0.00 55.97 55.33 3kl6 s LYS 156 Cb -0.36 -2.12 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 3kl6 s LYS 156 CO 0.29 0.41 -0.07 0.00 -0.92 0.00 0.00 175.35 175.06 3kl6 s MET 157 N -3.12 0.82 -0.17 1.68 0.23 0.37 -1.04 119.30 118.07 3kl6 s MET 157 Ca 0.27 -1.30 -0.10 0.00 -1.03 0.00 0.00 55.69 53.53 3kl6 s MET 157 Cb -0.08 -0.23 0.06 0.00 -1.53 0.00 0.00 34.83 33.05 3kl6 s MET 157 CO 0.16 -0.01 0.42 -1.17 -2.03 0.00 0.00 175.02 172.40 3kl6 s LEU 158 N -2.94 -0.10 -0.09 0.18 2.96 0.07 -1.39 118.68 117.37 3kl6 s LEU 158 Ca 0.11 0.91 -0.30 0.00 -0.22 0.00 0.00 54.13 54.63 3kl6 s LEU 158 Cb 0.04 1.38 -0.02 0.00 0.50 0.00 0.00 46.19 48.10 3kl6 s LEU 158 CO -0.04 -0.19 1.05 -0.70 -1.32 0.00 0.00 176.35 175.15 3kl6 s GLU 159 N 1.36 4.41 -0.11 1.98 2.12 -1.26 -1.24 118.70 125.96 3kl6 s GLU 159 Ca -0.09 1.46 0.02 0.00 0.36 0.00 0.00 54.97 56.71 3kl6 s GLU 159 Cb -0.08 -3.54 0.01 0.00 0.26 0.00 0.00 34.13 30.79 3kl6 s GLU 159 CO -0.12 -0.33 -0.15 0.14 -0.54 0.00 0.00 175.26 174.25 3kl6 s VAL 160 N 2.00 1.50 0.40 3.70 -7.23 0.16 -4.99 120.40 115.94 3kl6 s VAL 160 Ca 0.50 -0.65 -0.26 0.00 -1.81 0.00 0.00 61.98 59.76 3kl6 s VAL 160 Cb -0.20 -1.37 -0.09 0.00 0.56 0.00 0.00 36.38 35.28 3kl6 s VAL 160 CO 0.19 0.44 1.29 -2.84 -0.31 0.00 0.00 175.10 173.88 3kl6 s PRO 161 N 0.97 4.00 0.33 4.82 0.02 -1.26 -1.25 135.00 142.64 3kl6 s PRO 161 Ca -0.07 2.14 -0.29 0.00 0.02 0.00 0.00 61.00 62.80 3kl6 s PRO 161 Cb -0.15 -2.78 -0.11 0.00 0.02 0.00 0.00 34.50 31.49 3kl6 s PRO 161 CO -0.01 -0.46 1.40 0.71 -0.33 0.00 0.00 177.00 178.30 3kl6 s TYR 162 N -1.26 2.88 -0.14 6.54 2.02 -0.53 -1.05 117.35 125.81 3kl6 s TYR 162 Ca 0.56 1.26 -0.05 0.00 -0.37 0.00 0.00 57.07 58.47 3kl6 s TYR 162 Cb -0.38 -3.83 -0.04 0.00 -0.40 0.00 0.00 41.96 37.32 3kl6 s TYR 162 CO 0.48 -2.41 0.04 0.08 -1.57 0.00 0.00 175.55 172.17 3kl6 s VAL 163 N -0.93 4.59 0.61 0.71 1.01 -0.81 -4.89 120.40 120.69 3kl6 s VAL 163 Ca 0.52 -0.12 -0.19 0.00 0.00 0.00 0.00 61.98 62.19 3kl6 s VAL 163 Cb -0.43 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 3kl6 s VAL 163 CO 0.55 0.54 1.30 1.51 0.00 0.00 0.00 175.10 178.99 3kl6 s ASP 164 N -0.24 4.86 0.27 3.32 -4.77 -1.26 -4.63 116.67 114.23 3kl6 s ASP 164 Ca 0.07 2.63 -0.03 0.00 -3.30 0.00 0.00 52.55 51.92 3kl6 s ASP 164 Cb -0.12 -2.62 0.37 0.00 -1.09 0.00 0.00 42.92 39.46 3kl6 s ASP 164 CO 0.02 -1.83 1.93 0.08 0.70 0.00 0.00 175.17 176.06 3kl6 h ARG 165 N 0.84 1.19 -0.23 2.11 0.11 -1.98 -0.64 114.38 115.78 3kl6 h ARG 165 Ca -0.51 -0.07 -0.08 0.00 0.10 0.00 0.00 59.98 59.42 3kl6 h ARG 165 Cb 1.32 -0.27 -0.00 0.00 1.11 0.00 0.00 29.97 32.13 3kl6 h ARG 165 CO 0.54 0.79 -0.16 -0.91 0.10 0.00 0.00 179.97 180.33 3kl6 h ASN 166 N 1.22 0.53 -0.75 0.08 -0.26 -1.99 -0.43 115.58 113.98 3kl6 h ASN 166 Ca 0.36 -0.44 0.02 0.00 -0.56 0.00 0.00 56.30 55.69 3kl6 h ASN 166 Cb -0.05 -0.15 -0.04 0.00 -1.06 0.00 0.00 38.32 37.02 3kl6 h ASN 166 CO -0.10 0.86 0.49 0.28 -1.06 0.00 0.00 177.43 177.90 3kl6 h SER 167 N 0.21 0.82 0.81 5.81 0.02 -1.85 -1.60 113.55 117.77 3kl6 h SER 167 Ca 0.04 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 3kl6 h SER 167 Cb 0.68 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 63.03 3kl6 h SER 167 CO 0.04 0.57 -0.39 0.00 -1.14 0.00 0.00 176.83 175.92 3kl6 h LYS 169 N -1.14 1.08 0.00 0.00 1.57 -0.87 -2.24 116.57 114.97 3kl6 h LYS 169 Ca -0.11 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 3kl6 h LYS 169 Cb 0.84 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3kl6 h LYS 169 CO 0.18 0.71 0.00 -0.07 -0.57 0.00 0.00 179.45 179.71 3kl6 h LEU 170 N 1.11 0.00 -0.47 2.94 3.38 -1.30 -3.25 115.31 117.73 3kl6 h LEU 170 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3kl6 h LEU 170 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3kl6 h LEU 170 CO -0.10 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.20 3kl6 h SER 171 N 0.00 0.00 -4.93 -0.43 4.64 -1.07 -3.45 113.55 108.30 3kl6 h SER 171 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 3kl6 h SER 171 Cb 0.55 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.43 3kl6 h SER 171 CO 0.00 0.00 -0.68 -0.55 -0.87 0.00 0.00 176.83 174.73 3kl6 s SER 172 N -4.45 0.21 0.23 4.97 0.15 -1.23 -4.77 113.70 108.82 3kl6 s SER 172 Ca 0.06 -0.46 0.25 0.00 0.70 0.00 0.00 55.95 56.51 3kl6 s SER 172 Cb 0.10 0.10 0.55 0.00 -1.71 0.00 0.00 66.02 65.06 3kl6 s SER 172 CO 0.48 -0.29 1.58 0.28 1.20 0.00 0.00 173.24 176.48 3kl6 h SER 173 N 4.68 0.00 -4.09 5.45 0.02 -1.88 -3.45 113.55 114.28 3kl6 h SER 173 Ca -0.32 -0.05 -0.49 0.00 -0.84 0.00 0.00 61.79 60.09 3kl6 h SER 173 Cb 1.21 0.00 0.05 0.00 0.14 0.00 0.00 62.40 63.80 3kl6 h SER 173 CO 0.41 0.03 0.41 -0.36 -1.14 0.00 0.00 176.83 176.18 3kl6 s PHE 174 N -3.16 2.81 -0.25 3.45 0.08 -1.26 -5.00 117.98 114.65 3kl6 s PHE 174 Ca 0.08 1.56 -0.29 0.00 0.12 0.00 0.00 56.93 58.40 3kl6 s PHE 174 Cb 0.11 -3.19 0.01 0.00 -0.57 0.00 0.00 43.02 39.38 3kl6 s PHE 174 CO 0.66 -1.26 1.09 0.42 -0.10 0.00 0.00 175.22 176.02 3kl6 s ILE 175 N -1.88 4.56 -0.33 0.64 1.01 -1.26 -5.00 121.20 118.94 3kl6 s ILE 175 Ca 0.70 1.86 -0.15 0.00 0.00 0.00 0.00 60.65 63.06 3kl6 s ILE 175 Cb -0.21 -4.30 -0.02 0.00 0.01 0.00 0.00 42.46 37.95 3kl6 s ILE 175 CO 0.25 -0.27 0.37 -0.63 0.00 0.00 0.00 174.94 174.66 3kl6 s ILE 176 N 3.42 5.16 0.64 2.92 1.01 -1.26 -5.00 121.20 128.08 3kl6 s ILE 176 Ca 0.46 0.18 -0.00 0.00 0.00 0.00 0.00 60.65 61.29 3kl6 s ILE 176 Cb -0.15 -3.80 0.08 0.00 0.01 0.00 0.00 42.46 38.59 3kl6 s ILE 176 CO 0.10 -0.05 0.89 0.42 0.00 0.00 0.00 174.94 176.30 3kl6 s THR 177 N 2.06 2.40 -0.10 2.92 -4.23 -1.26 -4.94 115.64 112.49 3kl6 s THR 177 Ca 0.13 -0.61 0.28 0.00 -1.18 0.00 0.00 61.69 60.31 3kl6 s THR 177 Cb -0.16 -2.79 0.29 0.00 1.34 0.00 0.00 72.50 71.17 3kl6 s THR 177 CO 0.11 0.00 1.84 1.56 -0.54 0.00 0.00 174.62 177.59 3kl6 h GLN 178 N -0.24 0.00 -0.30 3.99 7.50 -2.03 -1.88 115.11 122.16 3kl6 h GLN 178 Ca -0.40 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.75 3kl6 h GLN 178 Cb 1.29 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.82 3kl6 h GLN 178 CO 0.47 0.00 0.00 0.09 -1.50 0.00 0.00 178.83 177.89 3kl6 n ASN 179 N -2.50 1.91 -4.31 1.46 3.02 -1.26 -4.89 115.26 108.69 3kl6 n ASN 179 Ca -0.00 -1.89 -0.19 0.00 -0.03 0.00 0.00 54.58 52.47 3kl6 n ASN 179 Cb 0.13 -0.20 -0.11 0.00 -0.61 0.00 0.00 39.78 39.00 3kl6 n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3kl6 s MET 180 N -1.61 1.22 0.06 3.52 -1.94 -0.71 -0.77 119.30 119.08 3kl6 s MET 180 Ca 0.28 -1.46 -0.03 0.00 -1.71 0.00 0.00 55.69 52.77 3kl6 s MET 180 Cb 0.15 -1.07 -0.03 0.00 2.01 0.00 0.00 34.83 35.89 3kl6 s MET 180 CO 0.21 0.19 0.02 -0.59 -0.01 0.00 0.00 175.02 174.84 3kl6 s PHE 181 N -2.63 0.42 -0.08 -0.03 -0.12 -0.10 -4.77 117.98 110.68 3kl6 s PHE 181 Ca 0.17 -0.94 -0.05 0.00 -0.05 0.00 0.00 56.93 56.07 3kl6 s PHE 181 Cb -0.02 -0.31 -0.04 0.00 -0.63 0.00 0.00 43.02 42.02 3kl6 s PHE 181 CO 0.05 -0.41 0.13 0.00 -0.05 0.00 0.00 175.22 174.94 3kl6 s ALA 183 N -1.09 -0.35 0.00 0.00 0.00 -0.55 -1.93 121.76 117.83 3kl6 s ALA 183 Ca 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.02 3kl6 s ALA 183 Cb -0.12 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.12 3kl6 s ALA 183 CO 0.08 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.03 3kl6 n GLY 184 N 1.36 0.62 3.25 0.00 0.00 -0.22 -1.24 105.19 108.96 3kl6 n GLY 184 Ca -0.22 -1.87 -0.25 0.00 0.00 0.00 0.00 46.02 43.68 3kl6 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kl6 s TYR 185 N -2.15 1.75 0.04 1.61 2.02 -1.26 -4.24 117.35 115.12 3kl6 s TYR 185 Ca 0.00 -0.38 -0.22 0.00 -0.37 0.00 0.00 57.07 56.10 3kl6 s TYR 185 Cb 0.00 -1.02 -0.11 0.00 -0.40 0.00 0.00 41.96 40.43 3kl6 s TYR 185 CO 0.00 0.11 1.33 0.22 -1.57 0.00 0.00 175.55 175.64 3kl6 h ASP 185 N 4.71 -0.76 0.00 2.29 1.82 -1.92 -3.42 116.42 119.14 3kl6 h ASP 185 Ca -0.43 0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.25 3kl6 h ASP 185 Cb 1.17 0.23 -0.00 0.00 0.68 0.00 0.00 39.33 41.40 3kl6 h ASP 185 CO 0.43 -0.44 -1.06 0.35 -1.61 0.00 0.00 179.24 176.90 3kl6 n THR 185 N -4.18 0.04 -1.70 2.25 -2.24 -1.26 -0.78 114.28 106.41 3kl6 n THR 185 Ca -0.09 -0.04 -0.44 0.00 -2.27 0.00 0.00 64.05 61.22 3kl6 n THR 185 Cb 0.30 -0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.30 3kl6 n THR 185 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3kl6 n LYS 186 N -1.78 2.25 -1.58 -0.78 4.81 -1.26 -4.81 118.16 115.01 3kl6 n LYS 186 Ca -0.01 0.80 -0.40 0.00 -0.87 0.00 0.00 58.31 57.83 3kl6 n LYS 186 Cb 0.27 -2.48 -0.02 0.00 0.02 0.00 0.00 35.03 32.81 3kl6 n LYS 186 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3kl6 n GLN 187 N 1.87 3.98 -3.96 1.64 3.00 -1.26 -4.72 117.38 117.93 3kl6 n GLN 187 Ca 0.10 -2.68 -0.16 0.00 -0.01 0.00 0.00 57.00 54.25 3kl6 n GLN 187 Cb 0.34 -2.76 -0.15 0.00 0.00 0.00 0.00 30.24 27.66 3kl6 n GLN 187 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 3kl6 s GLU 188 N 1.03 0.27 0.06 -1.09 2.02 -1.26 -4.21 118.70 115.52 3kl6 s GLU 188 Ca 0.63 0.01 -0.28 0.00 0.02 0.00 0.00 54.97 55.35 3kl6 s GLU 188 Cb 0.18 -0.37 0.09 0.00 0.10 0.00 0.00 34.13 34.13 3kl6 s GLU 188 CO -0.07 -0.06 1.14 0.34 0.02 0.00 0.00 175.26 176.63 3kl6 s ASP 189 N 0.59 -0.10 0.87 -0.19 2.15 -0.93 -4.38 116.67 114.68 3kl6 s ASP 189 Ca -0.06 -0.27 -0.13 0.00 0.43 0.00 0.00 52.55 52.52 3kl6 s ASP 189 Cb -0.09 0.31 0.12 0.00 -0.30 0.00 0.00 42.92 42.96 3kl6 s ASP 189 CO -0.01 -0.58 1.19 0.00 -0.17 0.00 0.00 175.17 175.60 3kl6 s ALA 190 N -2.75 2.30 0.38 3.66 0.00 -1.26 -0.23 121.76 123.85 3kl6 s ALA 190 Ca 0.14 -0.72 -0.08 0.00 0.00 0.00 0.00 51.96 51.30 3kl6 s ALA 190 Cb 0.02 -2.95 0.03 0.00 0.00 0.00 0.00 23.12 20.23 3kl6 s ALA 190 CO -0.01 -2.01 0.65 0.00 0.00 0.00 0.00 175.76 174.39 3kl6 n GLN 192 N -0.57 1.49 0.00 0.00 7.27 -1.26 -1.19 117.38 123.12 3kl6 n GLN 192 Ca -0.04 0.53 0.00 0.00 0.07 0.00 0.00 57.00 57.56 3kl6 n GLN 192 Cb 0.61 -2.10 0.00 0.00 2.41 0.00 0.00 30.24 31.16 3kl6 n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kl6 n GLY 193 N 2.10 3.27 0.20 1.69 0.00 -1.26 -0.68 105.19 110.52 3kl6 n GLY 193 Ca 0.14 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.26 3kl6 n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kl6 h ASP 194 N 0.00 0.00 -0.93 1.61 3.32 -1.44 -3.30 116.42 115.68 3kl6 h ASP 194 Ca 0.00 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 56.34 3kl6 h ASP 194 Cb 0.00 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.61 3kl6 h ASP 194 CO 0.00 0.11 -0.03 -1.20 -1.72 0.00 0.00 179.24 176.40 3kl6 n SER 195 N -3.13 -0.19 0.00 6.45 7.64 -1.25 -1.22 113.62 121.92 3kl6 n SER 195 Ca 0.04 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.99 3kl6 n SER 195 Cb 0.57 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 3kl6 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kl6 n GLY 196 N 1.46 2.60 3.95 0.23 0.00 0.46 -0.06 105.19 113.82 3kl6 n GLY 196 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 3kl6 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kl6 s GLY 197 N -2.08 1.82 0.14 -0.02 0.00 -0.36 -3.41 107.32 103.42 3kl6 s GLY 197 Ca 0.00 -1.39 -0.30 0.00 0.00 0.00 0.00 44.72 43.03 3kl6 s GLY 197 CO 0.00 -0.57 1.06 2.56 0.00 0.00 0.00 173.10 176.15 3kl6 s PRO 198 N -5.90 4.62 -0.21 2.90 0.05 -1.26 -1.75 135.00 133.45 3kl6 s PRO 198 Ca 0.76 1.63 -0.02 0.00 0.05 0.00 0.00 61.00 63.42 3kl6 s PRO 198 Cb -0.02 -3.32 0.00 0.00 0.05 0.00 0.00 34.50 31.21 3kl6 s PRO 198 CO 0.53 0.09 -0.09 -1.58 0.05 0.00 0.00 177.00 176.00 3kl6 s HIS 199 N -0.05 2.90 0.15 0.56 2.46 -0.58 -2.68 115.29 118.06 3kl6 s HIS 199 Ca 0.49 -1.17 0.11 0.00 0.47 0.00 0.00 55.06 54.96 3kl6 s HIS 199 Cb -0.27 -2.04 -0.04 0.00 -0.13 0.00 0.00 32.58 30.09 3kl6 s HIS 199 CO 0.33 -0.63 -0.23 0.14 -2.47 0.00 0.00 174.74 171.87 3kl6 s VAL 200 N 1.41 2.45 -0.08 0.89 -7.23 0.09 -0.62 120.40 117.32 3kl6 s VAL 200 Ca 0.06 -1.80 0.03 0.00 -1.81 0.00 0.00 61.98 58.46 3kl6 s VAL 200 Cb -0.14 -2.13 0.01 0.00 0.56 0.00 0.00 36.38 34.67 3kl6 s VAL 200 CO -0.06 0.01 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.66 3kl6 s THR 201 N -1.32 1.60 0.09 5.32 2.01 -0.03 -0.15 115.64 123.16 3kl6 s THR 201 Ca 0.18 -0.75 -0.28 0.00 0.31 0.00 0.00 61.69 61.14 3kl6 s THR 201 Cb -0.09 -1.41 -0.06 0.00 0.01 0.00 0.00 72.50 70.95 3kl6 s THR 201 CO 0.09 0.46 0.89 -0.60 -0.69 0.00 0.00 174.62 174.77 3kl6 s ARG 202 N 0.48 4.63 -0.11 4.92 3.52 -1.26 -1.38 118.95 129.75 3kl6 s ARG 202 Ca -0.16 1.32 -0.02 0.00 -0.13 0.00 0.00 55.73 56.74 3kl6 s ARG 202 Cb -0.17 -3.37 0.03 0.00 -1.56 0.00 0.00 34.95 29.89 3kl6 s ARG 202 CO 0.06 0.25 -0.00 0.12 -0.81 0.00 0.00 175.30 174.92 3kl6 s PHE 203 N -0.06 0.88 -1.18 5.12 5.36 0.07 -4.90 117.98 123.27 3kl6 s PHE 203 Ca 0.44 -0.42 -0.31 0.00 -0.96 0.00 0.00 56.93 55.68 3kl6 s PHE 203 Cb -0.22 -0.92 0.03 0.00 -0.34 0.00 0.00 43.02 41.57 3kl6 s PHE 203 CO 0.27 -0.42 0.70 1.63 -1.46 0.00 0.00 175.22 175.95 3kl6 n LYS 204 N 5.09 -0.49 -1.37 10.12 5.02 -1.26 -1.86 118.16 133.42 3kl6 n LYS 204 Ca -0.08 0.19 -0.13 0.00 -2.02 0.00 0.00 58.31 56.27 3kl6 n LYS 204 Cb 0.49 -2.83 -0.05 0.00 -0.02 0.00 0.00 35.03 32.62 3kl6 n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3kl6 n ASP 205 N -2.27 -5.04 -4.09 4.39 8.00 -1.26 -4.99 116.55 111.29 3kl6 n ASP 205 Ca -0.12 0.31 -0.24 0.00 0.71 0.00 0.00 54.79 55.46 3kl6 n ASP 205 Cb 0.57 -3.65 -0.16 0.00 -0.02 0.00 0.00 41.12 37.86 3kl6 n ASP 205 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3kl6 s THR 206 N -2.29 1.18 -0.19 -3.53 2.01 -0.78 -5.13 115.64 106.91 3kl6 s THR 206 Ca 0.00 -0.58 -0.14 0.00 0.31 0.00 0.00 61.69 61.28 3kl6 s THR 206 Cb 0.00 -1.02 -0.05 0.00 0.01 0.00 0.00 72.50 71.45 3kl6 s THR 206 CO 0.00 0.35 0.29 -0.31 -0.69 0.00 0.00 174.62 174.25 3kl6 s TYR 207 N 0.06 3.40 -0.09 4.92 1.51 -1.26 -0.75 117.35 125.14 3kl6 s TYR 207 Ca -0.03 0.51 0.01 0.00 -1.01 0.00 0.00 57.07 56.55 3kl6 s TYR 207 Cb -0.10 -2.37 -0.02 0.00 -0.11 0.00 0.00 41.96 39.36 3kl6 s TYR 207 CO 0.01 0.13 -0.11 -0.06 -1.11 0.00 0.00 175.55 174.42 3kl6 s PHE 208 N 0.83 2.84 -0.21 2.71 0.40 -0.48 -2.61 117.98 121.46 3kl6 s PHE 208 Ca 0.15 -0.24 -0.29 0.00 -0.60 0.00 0.00 56.93 55.95 3kl6 s PHE 208 Cb -0.13 -1.75 -0.01 0.00 0.51 0.00 0.00 43.02 41.64 3kl6 s PHE 208 CO 0.05 0.10 1.28 0.54 0.70 0.00 0.00 175.22 177.89 3kl6 s VAL 209 N -0.35 4.23 -0.03 -0.44 0.11 -0.31 -0.85 120.40 122.77 3kl6 s VAL 209 Ca 0.04 1.46 0.08 0.00 -2.93 0.00 0.00 61.98 60.64 3kl6 s VAL 209 Cb -0.12 -4.04 -0.13 0.00 -1.53 0.00 0.00 36.38 30.55 3kl6 s VAL 209 CO 0.02 -0.24 0.16 0.35 -3.33 0.00 0.00 175.10 172.06 3kl6 n THR 210 N 5.64 0.12 -3.92 5.04 -2.24 0.21 -4.42 114.28 114.71 3kl6 n THR 210 Ca 0.14 -0.23 -0.08 0.00 -2.27 0.00 0.00 64.05 61.61 3kl6 n THR 210 Cb 0.45 0.07 -0.08 0.00 -2.10 0.00 0.00 70.33 68.67 3kl6 n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3kl6 s GLY 211 N -3.22 0.19 -0.16 3.38 0.00 -0.52 -1.95 107.32 105.05 3kl6 s GLY 211 Ca -0.03 -0.77 0.01 0.00 0.00 0.00 0.00 44.72 43.93 3kl6 s GLY 211 CO 0.36 -0.93 -0.17 -0.42 0.00 0.00 0.00 173.10 171.93 3kl6 s ILE 212 N -3.81 2.45 -0.03 0.90 1.01 -0.82 -1.53 121.20 119.36 3kl6 s ILE 212 Ca 0.05 -0.84 -0.33 0.00 0.00 0.00 0.00 60.65 59.53 3kl6 s ILE 212 Cb 0.05 -2.02 -0.11 0.00 0.01 0.00 0.00 42.46 40.39 3kl6 s ILE 212 CO -0.10 0.52 1.89 0.52 0.00 0.00 0.00 174.94 177.77 3kl6 n VAL 213 N 4.18 0.59 0.02 2.92 0.31 -0.72 -0.91 118.33 124.72 3kl6 n VAL 213 Ca -0.20 -0.11 -0.00 0.00 -0.01 0.00 0.00 64.34 64.03 3kl6 n VAL 213 Cb 0.51 -1.99 -0.00 0.00 -0.91 0.00 0.00 33.84 31.45 3kl6 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3kl6 n SER 214 N 6.66 0.46 -3.64 4.52 2.88 -0.63 -0.41 113.62 123.47 3kl6 n SER 214 Ca 0.21 0.06 -0.10 0.00 -1.33 0.00 0.00 58.87 57.71 3kl6 n SER 214 Cb 0.33 -0.16 -0.03 0.00 -0.75 0.00 0.00 64.21 63.59 3kl6 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 3kl6 s TRP 215 N -1.41 -0.26 0.17 0.66 1.48 -0.74 -4.89 118.94 113.95 3kl6 s TRP 215 Ca -0.01 -0.05 -0.16 0.00 -1.06 0.00 0.00 56.10 54.83 3kl6 s TRP 215 Cb 0.00 0.45 0.02 0.00 -1.16 0.00 0.00 33.47 32.78 3kl6 s TRP 215 CO 0.01 -0.89 0.46 0.20 -4.06 0.00 0.00 176.95 172.67 3kl6 s GLY 216 N -2.83 -0.05 -0.71 3.67 0.00 -1.26 -0.36 107.32 105.78 3kl6 s GLY 216 Ca 0.06 -0.28 -0.22 0.00 0.00 0.00 0.00 44.72 44.28 3kl6 s GLY 216 CO -0.06 -0.36 1.01 -0.54 0.00 0.00 0.00 173.10 173.15 3kl6 s GLU 217 N -3.87 3.20 3.45 2.90 2.02 -1.26 -4.87 118.70 120.28 3kl6 s GLU 217 Ca 0.09 -0.97 0.00 0.00 0.02 0.00 0.00 54.97 54.11 3kl6 s GLU 217 Cb 0.00 -4.37 0.00 0.00 0.10 0.00 0.00 34.13 29.86 3kl6 s GLU 217 CO -0.05 -1.83 0.00 0.41 0.02 0.00 0.00 175.26 173.81 3kl6 n GLY 219 N 5.41 0.45 2.85 -1.39 0.00 -1.26 -4.65 105.19 106.60 3kl6 n GLY 219 Ca 0.02 -0.82 -0.17 0.00 0.00 0.00 0.00 46.02 45.04 3kl6 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kl6 n ALA 221 N 3.89 -0.56 -1.75 0.00 0.00 -1.26 -4.47 120.51 116.37 3kl6 n ALA 221 Ca -0.24 0.20 -0.34 0.00 0.00 0.00 0.00 53.44 53.06 3kl6 n ALA 221 Cb 0.52 -2.01 -0.02 0.00 0.00 0.00 0.00 19.45 17.95 3kl6 n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kl6 s ARG 222 N -4.66 3.60 0.06 0.00 0.52 -1.26 -4.73 118.95 112.48 3kl6 s ARG 222 Ca 0.00 1.31 -0.30 0.00 -0.52 0.00 0.00 55.73 56.22 3kl6 s ARG 222 Cb 0.00 -2.07 -0.09 0.00 0.52 0.00 0.00 34.95 33.32 3kl6 s ARG 222 CO 0.00 -0.59 1.79 0.15 0.02 0.00 0.00 175.30 176.67 3kl6 s LYS 223 N -3.56 4.16 -0.06 3.54 1.02 -1.26 -2.31 119.74 121.27 3kl6 s LYS 223 Ca 0.66 2.47 0.00 0.00 0.02 0.00 0.00 55.97 59.12 3kl6 s LYS 223 Cb -0.17 -3.80 0.00 0.00 -0.52 0.00 0.00 37.83 33.35 3kl6 s LYS 223 CO 0.27 -0.84 0.00 0.41 -0.92 0.00 0.00 175.35 174.27 3kl6 n GLY 223 N 4.23 0.47 3.29 -3.33 0.00 0.04 -5.02 105.19 104.87 3kl6 n GLY 223 Ca 0.18 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 3kl6 n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kl6 s LYS 224 N -1.17 1.49 0.43 1.61 -0.14 -0.98 -4.72 119.74 116.26 3kl6 s LYS 224 Ca 0.00 -1.03 0.05 0.00 -1.36 0.00 0.00 55.97 53.63 3kl6 s LYS 224 Cb 0.00 -1.65 -0.05 0.00 -1.68 0.00 0.00 37.83 34.45 3kl6 s LYS 224 CO 0.00 0.42 0.02 0.71 -0.76 0.00 0.00 175.35 175.74 3kl6 s TYR 225 N -0.84 2.22 0.14 3.18 2.02 -1.26 -4.59 117.35 118.21 3kl6 s TYR 225 Ca 0.09 -0.82 -0.24 0.00 -0.37 0.00 0.00 57.07 55.72 3kl6 s TYR 225 Cb -0.09 -1.64 -0.07 0.00 -0.40 0.00 0.00 41.96 39.75 3kl6 s TYR 225 CO 0.02 0.29 0.75 0.20 -1.57 0.00 0.00 175.55 175.24 3kl6 s GLY 226 N -3.73 2.87 -0.16 0.71 0.00 -0.37 -4.57 107.32 102.07 3kl6 s GLY 226 Ca 0.25 0.31 -0.05 0.00 0.00 0.00 0.00 44.72 45.23 3kl6 s GLY 226 CO 0.13 0.85 -0.01 -0.42 0.00 0.00 0.00 173.10 173.65 3kl6 s ILE 227 N -0.97 4.19 0.01 0.90 -1.09 0.52 -1.48 121.20 123.27 3kl6 s ILE 227 Ca 0.35 -0.25 0.07 0.00 -2.23 0.00 0.00 60.65 58.59 3kl6 s ILE 227 Cb -0.22 -2.85 -0.02 0.00 -1.58 0.00 0.00 42.46 37.79 3kl6 s ILE 227 CO 0.25 0.49 -0.23 -0.31 -1.23 0.00 0.00 174.94 173.91 3kl6 s TYR 228 N 0.27 2.00 0.17 3.97 1.51 -0.09 -1.60 117.35 123.59 3kl6 s TYR 228 Ca -0.01 -0.38 -0.31 0.00 -1.01 0.00 0.00 57.07 55.36 3kl6 s TYR 228 Cb -0.13 -1.25 -0.09 0.00 -0.11 0.00 0.00 41.96 40.37 3kl6 s TYR 228 CO 0.02 0.02 1.45 0.99 -1.11 0.00 0.00 175.55 176.93 3kl6 s THR 229 N -0.64 2.93 -0.62 -0.71 2.01 -0.09 -0.93 115.64 117.60 3kl6 s THR 229 Ca 0.09 0.70 -0.26 0.00 0.31 0.00 0.00 61.69 62.52 3kl6 s THR 229 Cb -0.09 -3.45 0.04 0.00 0.01 0.00 0.00 72.50 69.01 3kl6 s THR 229 CO 0.00 0.07 1.13 -0.75 -0.69 0.00 0.00 174.62 174.38 3kl6 s LYS 230 N 0.69 3.35 0.31 4.92 2.20 0.05 -1.95 119.74 129.31 3kl6 s LYS 230 Ca 0.65 -0.10 0.01 0.00 -0.36 0.00 0.00 55.97 56.16 3kl6 s LYS 230 Cb -0.40 -4.08 0.56 0.00 -1.51 0.00 0.00 37.83 32.39 3kl6 s LYS 230 CO 0.34 -1.76 1.93 0.28 -0.36 0.00 0.00 175.35 175.78 3kl6 h VAL 231 N 6.07 1.08 -0.18 4.02 2.07 -1.72 -1.89 116.25 125.71 3kl6 h VAL 231 Ca -0.26 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 66.97 3kl6 h VAL 231 Cb 1.06 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3kl6 h VAL 231 CO 1.18 0.18 0.16 0.71 0.02 0.00 0.00 177.57 179.82 3kl6 h THR 232 N 0.99 0.68 0.00 2.57 1.35 -1.89 0.56 112.91 117.17 3kl6 h THR 232 Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.22 3kl6 h THR 232 Cb 0.15 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.45 3kl6 h THR 232 CO -0.12 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.15 3kl6 n ALA 233 N -2.46 1.82 -1.15 6.62 0.00 -0.71 -3.56 120.51 121.07 3kl6 n ALA 233 Ca 0.01 -0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.44 3kl6 n ALA 233 Cb 0.29 -1.30 0.06 0.00 0.00 0.00 0.00 19.45 18.50 3kl6 n ALA 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3kl6 n PHE 234 N -1.55 0.00 -0.26 0.00 3.72 0.17 -4.86 117.46 114.68 3kl6 n PHE 234 Ca 0.04 -0.50 -0.07 0.00 -0.05 0.00 0.00 57.45 56.87 3kl6 n PHE 234 Cb 0.21 -0.09 0.05 0.00 -0.94 0.00 0.00 39.48 38.72 3kl6 n PHE 234 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3kl6 h LEU 235 N 0.00 1.02 -0.54 4.37 3.38 -1.57 0.11 115.31 122.09 3kl6 h LEU 235 Ca 0.00 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.66 3kl6 h LEU 235 Cb 1.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 3kl6 h LEU 235 CO 0.00 0.94 -0.11 0.50 0.09 0.00 0.00 178.44 179.85 3kl6 h LYS 236 N 1.05 1.03 -0.56 1.13 1.63 -1.89 -1.04 116.57 117.91 3kl6 h LYS 236 Ca 0.24 -0.39 -0.00 0.00 -0.85 0.00 0.00 60.65 59.65 3kl6 h LYS 236 Cb 0.26 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.80 3kl6 h LYS 236 CO -0.01 1.08 0.35 2.35 -3.45 0.00 0.00 179.45 179.76 3kl6 h TRP 237 N 0.91 0.73 -0.35 1.91 7.01 -1.80 0.39 115.95 124.76 3kl6 h TRP 237 Ca 0.14 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.12 3kl6 h TRP 237 Cb 0.68 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 27.49 3kl6 h TRP 237 CO 0.05 0.49 0.13 0.82 -2.79 0.00 0.00 178.44 177.14 3kl6 h ILE 238 N 0.76 1.19 -0.57 2.65 2.04 -0.65 -0.66 117.51 122.27 3kl6 h ILE 238 Ca 0.20 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.46 3kl6 h ILE 238 Cb -0.04 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 3kl6 h ILE 238 CO -0.04 0.21 0.36 -0.78 0.00 0.00 0.00 178.15 177.90 3kl6 h ASP 239 N 0.42 0.67 -0.78 1.72 3.58 -0.87 -0.53 116.42 120.61 3kl6 h ASP 239 Ca 0.12 -0.04 -0.05 0.00 0.42 0.00 0.00 57.03 57.47 3kl6 h ASP 239 Cb 0.20 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.05 3kl6 h ASP 239 CO -0.01 0.51 0.29 0.03 -2.88 0.00 0.00 179.24 177.18 3kl6 h ARG 240 N 0.77 1.19 -0.17 0.28 3.08 -0.77 -2.90 114.38 115.86 3kl6 h ARG 240 Ca 0.21 -0.23 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 3kl6 h ARG 240 Cb -0.05 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 3kl6 h ARG 240 CO -0.04 0.98 -0.29 0.77 -1.07 0.00 0.00 179.97 180.32 3kl6 h SER 241 N 1.15 0.32 -0.01 7.04 0.02 -0.57 -3.51 113.55 118.00 3kl6 h SER 241 Ca 0.26 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3kl6 h SER 241 Cb 0.25 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.71 3kl6 h SER 241 CO -0.02 0.61 0.00 0.23 -1.14 0.00 0.00 176.83 176.51