#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kl8 n LYS 8 N 0.00 0.50 -0.09 -0.78 4.81 -1.26 -4.70 118.16 116.64 3kl8 n LYS 8 Ca 0.00 -0.58 -0.10 0.00 -0.87 0.00 0.00 58.31 56.76 3kl8 n LYS 8 Cb 0.00 -0.64 -0.03 0.00 0.02 0.00 0.00 35.03 34.38 3kl8 n LYS 8 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3kl8 n PHE 9 N -0.10 0.00 0.11 5.64 -0.00 -1.26 -3.81 117.46 118.04 3kl8 n PHE 9 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.56 3kl8 n PHE 9 Cb 0.35 -0.50 0.16 0.00 -0.00 0.00 0.00 39.48 39.49 3kl8 n PHE 9 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 3kl8 n SER 10 N -4.42 0.00 0.53 -2.13 7.64 -1.26 -0.09 113.62 113.89 3kl8 n SER 10 Ca -0.15 0.58 -0.21 0.00 1.01 0.00 0.00 58.87 60.10 3kl8 n SER 10 Cb 0.52 -0.10 -0.10 0.00 -1.01 0.00 0.00 64.21 63.52 3kl8 n SER 10 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3kl8 h ASP 11 N 0.00 -1.17 0.00 6.43 5.19 -1.84 -3.41 116.42 121.62 3kl8 h ASP 11 Ca 0.19 0.04 -0.22 0.00 -0.62 0.00 0.00 57.03 56.42 3kl8 h ASP 11 Cb 2.28 0.31 -0.04 0.00 0.18 0.00 0.00 39.33 42.06 3kl8 h ASP 11 CO -0.00 -0.82 -1.84 0.59 -3.12 0.00 0.00 179.24 174.04 3kl8 n ASN 12 N -5.67 2.79 -4.83 6.45 4.13 0.88 -4.96 115.26 114.05 3kl8 n ASN 12 Ca -0.17 -0.07 -0.36 0.00 1.68 0.00 0.00 54.58 55.66 3kl8 n ASN 12 Cb 0.53 -0.16 -0.06 0.00 -1.54 0.00 0.00 39.78 38.55 3kl8 n ASN 12 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 3kl8 s TYR 13 N -2.30 3.65 -0.21 3.10 1.51 -0.62 -1.10 117.35 121.38 3kl8 s TYR 13 Ca -0.19 1.21 0.00 0.00 -1.01 0.00 0.00 57.07 57.08 3kl8 s TYR 13 Cb 0.05 -2.47 0.02 0.00 -0.11 0.00 0.00 41.96 39.45 3kl8 s TYR 13 CO 0.35 0.42 -0.14 0.34 -1.11 0.00 0.00 175.55 175.41 3kl8 s ASP 14 N -1.62 3.67 0.36 2.29 2.15 -0.86 -4.55 116.67 118.11 3kl8 s ASP 14 Ca 0.39 -0.76 -0.27 0.00 0.43 0.00 0.00 52.55 52.34 3kl8 s ASP 14 Cb -0.16 -1.56 -0.09 0.00 -0.30 0.00 0.00 42.92 40.81 3kl8 s ASP 14 CO 0.20 -0.05 1.17 -0.69 -0.17 0.00 0.00 175.17 175.63 3kl8 s VAL 15 N 1.30 3.17 0.00 1.11 1.01 -1.26 -2.10 120.40 123.63 3kl8 s VAL 15 Ca 0.02 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.06 3kl8 s VAL 15 Cb -0.15 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.61 3kl8 s VAL 15 CO -0.09 0.16 0.00 0.29 0.00 0.00 0.00 175.10 175.46 3kl8 n LYS 16 N 0.44 3.10 0.00 2.72 4.76 -1.01 -4.93 118.16 123.24 3kl8 n LYS 16 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 3kl8 n LYS 16 Cb 0.45 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.64 3kl8 n LYS 16 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 3kl8 n GLU 17 N 0.00 0.00 0.00 1.97 0.00 -1.26 -4.65 120.64 116.70 3kl8 n GLU 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3kl8 n GLU 17 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 3kl8 n GLU 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3kl8 n GLY 20 N 2.40 0.89 4.13 -1.84 0.00 -1.13 -1.44 105.19 108.20 3kl8 n GLY 20 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3kl8 n GLY 20 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kl8 n LYS 21 N 0.00 -0.94 0.00 1.61 5.02 -1.05 -4.94 118.16 117.87 3kl8 n LYS 21 Ca 0.00 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 3kl8 n LYS 21 Cb 0.32 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 3kl8 n LYS 21 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kl8 n GLY 22 N -1.45 2.58 1.95 0.72 0.00 -1.26 -4.31 105.19 103.42 3kl8 n GLY 22 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.26 3kl8 n GLY 22 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kl8 n SER 25 N 0.00 0.00 -4.85 1.61 7.64 -1.05 -4.80 113.62 112.18 3kl8 n SER 25 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 3kl8 n SER 25 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 3kl8 n SER 25 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3kl8 s VAL 26 N 0.00 4.64 0.24 0.44 0.11 -1.18 -4.84 120.40 119.81 3kl8 s VAL 26 Ca 0.00 0.98 0.07 0.00 -2.93 0.00 0.00 61.98 60.10 3kl8 s VAL 26 Cb 0.00 -3.68 -0.05 0.00 -1.53 0.00 0.00 36.38 31.11 3kl8 s VAL 26 CO 0.00 -0.47 -0.09 -0.69 -3.33 0.00 0.00 175.10 170.52 3kl8 s VAL 27 N -2.34 1.65 -0.13 2.04 1.01 -1.26 -0.02 120.40 121.36 3kl8 s VAL 27 Ca 0.56 -2.16 -0.32 0.00 0.00 0.00 0.00 61.98 60.06 3kl8 s VAL 27 Cb -0.10 -2.27 0.13 0.00 0.00 0.00 0.00 36.38 34.14 3kl8 s VAL 27 CO 0.26 -0.43 1.07 0.00 0.00 0.00 0.00 175.10 176.00 3kl8 s ARG 28 N -3.70 0.52 1.10 2.72 1.70 -1.01 -2.52 118.95 117.76 3kl8 s ARG 28 Ca 0.26 -0.11 -0.16 0.00 -0.47 0.00 0.00 55.73 55.25 3kl8 s ARG 28 Cb 0.02 0.24 0.24 0.00 -0.57 0.00 0.00 34.95 34.88 3kl8 s ARG 28 CO 0.10 -0.21 1.12 0.50 -1.08 0.00 0.00 175.30 175.72 3kl8 s ARG 29 N -2.27 -0.42 -0.12 3.89 3.52 -0.52 -0.67 118.95 122.36 3kl8 s ARG 29 Ca 0.06 0.13 -0.34 0.00 -0.13 0.00 0.00 55.73 55.45 3kl8 s ARG 29 Cb -0.01 -1.67 0.14 0.00 -1.56 0.00 0.00 34.95 31.85 3kl8 s ARG 29 CO -0.05 -3.22 1.39 0.00 -0.81 0.00 0.00 175.30 172.61 3kl8 s VAL 31 N -2.12 -0.04 0.49 0.00 1.01 -0.89 -0.39 120.40 118.46 3kl8 s VAL 31 Ca 0.14 0.14 -0.24 0.00 0.00 0.00 0.00 61.98 62.02 3kl8 s VAL 31 Cb 0.05 -0.06 -0.07 0.00 0.00 0.00 0.00 36.38 36.31 3kl8 s VAL 31 CO -0.05 0.06 1.41 -2.28 0.00 0.00 0.00 175.10 174.24 3kl8 s HIS 32 N 0.70 2.36 -0.01 5.22 2.46 -1.19 -2.02 115.29 122.81 3kl8 s HIS 32 Ca -0.06 1.29 -0.21 0.00 0.47 0.00 0.00 55.06 56.56 3kl8 s HIS 32 Cb -0.08 -3.90 -0.23 0.00 -0.13 0.00 0.00 32.58 28.24 3kl8 s HIS 32 CO -0.02 -3.00 1.09 -0.22 -2.47 0.00 0.00 174.74 170.12 3kl8 h LYS 33 N 1.96 0.35 0.00 2.88 1.63 -1.49 -1.93 116.57 119.97 3kl8 h LYS 33 Ca -0.51 -0.36 0.00 0.00 -0.85 0.00 0.00 60.65 58.93 3kl8 h LYS 33 Cb 1.28 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 33.01 3kl8 h LYS 33 CO 0.59 1.04 0.00 2.41 -3.45 0.00 0.00 179.45 180.05 3kl8 n THR 34 N -4.30 0.00 0.77 1.00 -1.04 -1.26 -4.28 114.28 105.16 3kl8 n THR 34 Ca -0.10 1.11 0.13 0.00 -2.04 0.00 0.00 64.05 63.15 3kl8 n THR 34 Cb 0.62 -2.09 0.32 0.00 -1.82 0.00 0.00 70.33 67.36 3kl8 n THR 34 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3kl8 n THR 35 N -1.90 0.25 -1.86 12.58 -2.24 -1.26 -4.94 114.28 114.91 3kl8 n THR 35 Ca 0.00 -0.16 -0.18 0.00 -2.27 0.00 0.00 64.05 61.44 3kl8 n THR 35 Cb 0.00 -0.19 -0.05 0.00 -2.10 0.00 0.00 70.33 67.99 3kl8 n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kl8 n GLY 36 N 1.40 0.93 3.66 3.38 0.00 -0.73 -4.95 105.19 108.88 3kl8 n GLY 36 Ca 0.05 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3kl8 n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kl8 s LEU 37 N -4.61 4.12 0.35 0.99 1.43 -1.26 -4.68 118.68 115.02 3kl8 s LEU 37 Ca 0.00 1.10 -0.27 0.00 -1.03 0.00 0.00 54.13 53.93 3kl8 s LEU 37 Cb 0.00 -3.21 -0.12 0.00 0.03 0.00 0.00 46.19 42.89 3kl8 s LEU 37 CO 0.00 -0.46 1.14 -0.62 0.23 0.00 0.00 176.35 176.63 3kl8 n GLU 38 N 5.66 1.70 -4.30 1.70 1.02 -1.26 -3.15 120.64 122.01 3kl8 n GLU 38 Ca 0.05 0.60 -0.20 0.00 -0.02 0.00 0.00 57.16 57.59 3kl8 n GLU 38 Cb 0.48 -2.12 -0.08 0.00 -0.02 0.00 0.00 31.44 29.70 3kl8 n GLU 38 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3kl8 s PHE 39 N -1.13 1.78 -0.15 -0.32 0.08 0.48 -4.60 117.98 114.11 3kl8 s PHE 39 Ca 0.59 -1.65 0.01 0.00 0.12 0.00 0.00 56.93 55.99 3kl8 s PHE 39 Cb -0.60 -0.75 0.02 0.00 -0.57 0.00 0.00 43.02 41.12 3kl8 s PHE 39 CO 0.60 -0.84 -0.16 0.00 -0.10 0.00 0.00 175.22 174.72 3kl8 s ALA 40 N -3.41 1.99 -0.33 5.36 0.00 -0.39 -2.35 121.76 122.63 3kl8 s ALA 40 Ca 0.40 -0.97 -0.03 0.00 0.00 0.00 0.00 51.96 51.35 3kl8 s ALA 40 Cb 0.02 -1.05 0.05 0.00 0.00 0.00 0.00 23.12 22.15 3kl8 s ALA 40 CO 0.27 -0.30 0.06 0.00 0.00 0.00 0.00 175.76 175.80 3kl8 s ALA 41 N 1.31 2.93 0.08 0.00 0.00 0.16 0.71 121.76 126.95 3kl8 s ALA 41 Ca 0.02 -1.86 -0.31 0.00 0.00 0.00 0.00 51.96 49.81 3kl8 s ALA 41 Cb -0.13 -2.11 -0.06 0.00 0.00 0.00 0.00 23.12 20.82 3kl8 s ALA 41 CO -0.09 -1.37 1.20 0.21 0.00 0.00 0.00 175.76 175.71 3kl8 s LYS 42 N 1.29 4.44 -0.27 0.00 2.20 -0.15 -2.41 119.74 124.83 3kl8 s LYS 42 Ca -0.02 1.79 0.02 0.00 -0.36 0.00 0.00 55.97 57.39 3kl8 s LYS 42 Cb -0.20 -3.33 0.07 0.00 -1.51 0.00 0.00 37.83 32.86 3kl8 s LYS 42 CO -0.00 -0.24 -0.03 0.42 -0.36 0.00 0.00 175.35 175.14 3kl8 s ILE 43 N 0.93 1.82 0.48 5.43 1.01 0.97 -0.92 121.20 130.91 3kl8 s ILE 43 Ca 0.58 -1.60 0.07 0.00 0.00 0.00 0.00 60.65 59.70 3kl8 s ILE 43 Cb -0.30 -2.12 0.03 0.00 0.01 0.00 0.00 42.46 40.09 3kl8 s ILE 43 CO 0.30 -0.24 0.66 0.27 0.00 0.00 0.00 174.94 175.93 3kl8 s ILE 44 N 1.22 2.76 0.25 2.92 -4.36 -0.09 -2.51 121.20 121.40 3kl8 s ILE 44 Ca -0.02 -0.94 0.07 0.00 -0.26 0.00 0.00 60.65 59.51 3kl8 s ILE 44 Cb -0.19 -2.83 -0.05 0.00 1.25 0.00 0.00 42.46 40.64 3kl8 s ILE 44 CO -0.08 0.00 -0.10 0.21 0.24 0.00 0.00 174.94 175.21 3kl8 s ASN 45 N -4.43 2.70 -0.20 4.36 2.47 -1.26 -0.87 114.94 117.70 3kl8 s ASN 45 Ca 0.57 -1.11 0.01 0.00 0.42 0.00 0.00 52.86 52.75 3kl8 s ASN 45 Cb -0.09 -0.16 0.03 0.00 -1.45 0.00 0.00 41.25 39.58 3kl8 s ASN 45 CO 0.35 -0.26 -0.18 -0.89 -3.72 0.00 0.00 177.10 172.41 3kl8 s THR 46 N -2.98 2.13 0.00 -5.21 2.01 0.10 -4.91 115.64 106.78 3kl8 s THR 46 Ca 0.26 -1.06 0.00 0.00 0.31 0.00 0.00 61.69 61.21 3kl8 s THR 46 Cb 0.01 -1.97 0.00 0.00 0.01 0.00 0.00 72.50 70.56 3kl8 s THR 46 CO 0.10 0.43 0.00 1.67 -0.69 0.00 0.00 174.62 176.12 3kl8 n GLN 55 N 4.59 0.00 0.08 4.92 7.27 -1.26 -4.97 117.38 128.01 3kl8 n GLN 55 Ca -0.20 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 56.87 3kl8 n GLN 55 Cb 0.49 -0.03 -0.05 0.00 2.41 0.00 0.00 30.24 33.06 3kl8 n GLN 55 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 3kl8 h LYS 56 N 0.00 0.00 0.00 3.69 1.57 -2.04 -3.30 116.57 116.48 3kl8 h LYS 56 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 3kl8 h LYS 56 Cb 0.20 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 3kl8 h LYS 56 CO 0.00 0.52 -0.92 -0.07 -0.57 0.00 0.00 179.45 178.41 3kl8 h LEU 57 N 0.00 0.00 -0.01 2.94 3.38 -2.01 -2.71 115.31 116.90 3kl8 h LEU 57 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3kl8 h LEU 57 Cb 1.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 3kl8 h LEU 57 CO 0.07 0.47 -0.05 -0.08 0.09 0.00 0.00 178.44 178.93 3kl8 h GLU 58 N 0.00 -0.06 -0.06 1.13 4.57 -2.00 0.66 114.58 118.82 3kl8 h GLU 58 Ca -0.07 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.14 3kl8 h GLU 58 Cb 1.42 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.96 3kl8 h GLU 58 CO 0.05 -0.04 -0.54 -0.09 -1.18 0.00 0.00 179.01 177.20 3kl8 h ARG 59 N -0.06 -0.61 -0.73 1.92 2.43 -1.64 -2.26 114.38 113.43 3kl8 h ARG 59 Ca 0.00 0.04 0.15 0.00 -0.81 0.00 0.00 59.98 59.37 3kl8 h ARG 59 Cb 0.07 0.14 -0.10 0.00 -0.42 0.00 0.00 29.97 29.66 3kl8 h ARG 59 CO -0.04 -0.41 0.21 1.49 -1.51 0.00 0.00 179.97 179.71 3kl8 h GLU 60 N -0.64 0.31 -0.37 0.20 4.81 -1.46 -2.19 114.58 115.25 3kl8 h GLU 60 Ca 0.02 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 3kl8 h GLU 60 Cb 0.71 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 3kl8 h GLU 60 CO -0.40 0.20 -0.09 0.00 -0.73 0.00 0.00 179.01 178.00 3kl8 h ALA 61 N 1.58 0.50 -0.93 2.92 0.00 -0.49 -2.62 119.26 120.22 3kl8 h ALA 61 Ca 0.41 -0.30 0.26 0.00 0.00 0.00 0.00 54.91 55.27 3kl8 h ALA 61 Cb 0.67 -0.13 -0.14 0.00 0.00 0.00 0.00 17.79 18.20 3kl8 h ALA 61 CO -0.47 0.35 0.41 -0.09 0.00 0.00 0.00 179.25 179.46 3kl8 h ARG 62 N 0.50 0.32 0.66 0.00 2.43 -0.82 -2.65 114.38 114.82 3kl8 h ARG 62 Ca 0.09 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 3kl8 h ARG 62 Cb 0.59 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.08 3kl8 h ARG 62 CO 0.04 0.21 -0.32 0.82 -1.51 0.00 0.00 179.97 179.21 3kl8 h ILE 63 N 0.33 0.34 0.00 1.20 2.04 -1.31 -2.67 117.51 117.44 3kl8 h ILE 63 Ca 0.62 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 66.44 3kl8 h ILE 63 Cb 1.27 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 3kl8 h ILE 63 CO -0.59 0.01 0.11 0.00 0.00 0.00 0.00 178.15 177.68 3kl8 h ARG 65 N 0.00 0.00 0.00 0.00 2.43 -1.31 -2.97 114.38 112.52 3kl8 h ARG 65 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3kl8 h ARG 65 Cb 0.23 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3kl8 h ARG 65 CO 0.00 0.00 -0.71 0.87 -1.51 0.00 0.00 179.97 178.62 3kl8 h LYS 66 N 0.00 0.00 -3.87 0.20 1.57 -0.32 -3.44 116.57 110.72 3kl8 h LYS 66 Ca 0.00 0.00 -0.77 0.00 -1.87 0.00 0.00 60.65 58.01 3kl8 h LYS 66 Cb 0.85 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 32.88 3kl8 h LYS 66 CO 0.00 0.12 -0.04 -0.51 -0.57 0.00 0.00 179.45 178.45 3kl8 s LEU 67 N -5.83 6.41 -0.57 2.94 1.43 -1.07 -4.98 118.68 117.01 3kl8 s LEU 67 Ca 0.02 -2.53 -0.00 0.00 -1.03 0.00 0.00 54.13 50.59 3kl8 s LEU 67 Cb 0.08 -2.15 0.15 0.00 0.03 0.00 0.00 46.19 44.29 3kl8 s LEU 67 CO 0.75 -0.60 0.35 -1.10 0.23 0.00 0.00 176.35 175.99 3kl8 s GLN 68 N 0.42 2.29 -0.03 1.70 -1.52 -1.26 -4.50 119.66 116.77 3kl8 s GLN 68 Ca 0.15 -2.51 -0.08 0.00 -1.95 0.00 0.00 55.36 50.96 3kl8 s GLN 68 Cb -0.15 -3.56 0.01 0.00 -0.22 0.00 0.00 33.01 29.09 3kl8 s GLN 68 CO -0.06 -1.14 0.19 -1.58 -0.25 0.00 0.00 175.29 172.45 3kl8 s HIS 69 N -0.07 -0.08 0.36 0.91 2.46 -1.26 -5.05 115.29 112.55 3kl8 s HIS 69 Ca 0.16 0.17 0.07 0.00 0.47 0.00 0.00 55.06 55.93 3kl8 s HIS 69 Cb -0.22 0.02 0.77 0.00 -0.13 0.00 0.00 32.58 33.01 3kl8 s HIS 69 CO -0.02 -0.24 1.91 -1.35 -2.47 0.00 0.00 174.74 172.57 3kl8 h PRO 70 N 4.76 0.72 -0.64 2.88 0.11 -1.98 0.18 132.00 138.02 3kl8 h PRO 70 Ca -0.29 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3kl8 h PRO 70 Cb 1.19 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3kl8 h PRO 70 CO 0.39 0.47 0.00 0.09 -0.21 0.00 0.00 178.00 178.75 3kl8 n ASN 71 N -4.51 3.40 -4.11 -2.05 4.13 -1.26 -4.75 115.26 106.11 3kl8 n ASN 71 Ca 0.14 -2.37 -0.33 0.00 1.68 0.00 0.00 54.58 53.71 3kl8 n ASN 71 Cb 0.34 -0.50 -0.16 0.00 -1.54 0.00 0.00 39.78 37.92 3kl8 n ASN 71 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3kl8 s ILE 72 N -1.84 2.01 -0.73 2.41 1.01 0.61 0.20 121.20 124.88 3kl8 s ILE 72 Ca 0.33 -0.95 -0.13 0.00 0.00 0.00 0.00 60.65 59.90 3kl8 s ILE 72 Cb 0.22 -1.84 -0.20 0.00 0.01 0.00 0.00 42.46 40.64 3kl8 s ILE 72 CO 0.14 0.49 1.93 0.52 0.00 0.00 0.00 174.94 178.03 3kl8 n VAL 73 N 4.62 0.00 -2.04 2.92 0.31 -0.96 -4.48 118.33 118.70 3kl8 n VAL 73 Ca -0.20 -0.44 -0.41 0.00 -0.01 0.00 0.00 64.34 63.28 3kl8 n VAL 73 Cb 0.49 -0.67 -0.02 0.00 -0.91 0.00 0.00 33.84 32.73 3kl8 n VAL 73 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3kl8 s ARG 74 N 7.14 4.29 -0.15 5.55 0.52 -1.26 -4.73 118.95 130.31 3kl8 s ARG 74 Ca 0.86 2.27 -0.22 0.00 -0.52 0.00 0.00 55.73 58.12 3kl8 s ARG 74 Cb -0.40 -3.11 -0.03 0.00 0.52 0.00 0.00 34.95 31.93 3kl8 s ARG 74 CO 0.28 -0.38 0.67 -1.17 0.02 0.00 0.00 175.30 174.73 3kl8 s LEU 75 N -0.57 4.21 -0.28 2.53 2.96 -1.25 -1.78 118.68 124.51 3kl8 s LEU 75 Ca 0.58 0.99 -0.11 0.00 -0.22 0.00 0.00 54.13 55.37 3kl8 s LEU 75 Cb -0.41 -2.99 -0.13 0.00 0.50 0.00 0.00 46.19 43.16 3kl8 s LEU 75 CO 0.44 -0.22 -0.33 1.41 -1.32 0.00 0.00 176.35 176.33 3kl8 n HIS 76 N 4.57 0.01 -3.93 5.38 8.25 0.49 -4.79 115.22 125.20 3kl8 n HIS 76 Ca -0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.35 3kl8 n HIS 76 Cb 0.50 -1.00 -0.11 0.00 1.12 0.00 0.00 29.99 30.50 3kl8 n HIS 76 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3kl8 s ASP 77 N -7.32 0.14 -0.12 0.41 2.15 -1.20 -5.00 116.67 105.72 3kl8 s ASP 77 Ca -0.38 -0.34 0.02 0.00 0.43 0.00 0.00 52.55 52.28 3kl8 s ASP 77 Cb 0.14 0.14 0.01 0.00 -0.30 0.00 0.00 42.92 42.91 3kl8 s ASP 77 CO 0.51 -0.30 -0.20 -0.55 -0.17 0.00 0.00 175.17 174.46 3kl8 s SER 78 N -1.29 2.88 -0.04 -0.34 0.15 -1.26 -0.79 113.70 113.00 3kl8 s SER 78 Ca -0.14 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 55.97 3kl8 s SER 78 Cb -0.08 -1.32 0.03 0.00 -1.71 0.00 0.00 66.02 62.93 3kl8 s SER 78 CO -0.00 0.07 -0.01 -0.63 1.20 0.00 0.00 173.24 173.88 3kl8 s ILE 79 N 0.78 0.26 -0.30 6.45 1.01 -0.08 -5.01 121.20 124.32 3kl8 s ILE 79 Ca -0.09 0.06 -0.13 0.00 0.00 0.00 0.00 60.65 60.49 3kl8 s ILE 79 Cb -0.16 -0.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.92 3kl8 s ILE 79 CO 0.00 0.18 0.25 -1.58 0.00 0.00 0.00 174.94 173.79 3kl8 s GLN 80 N 1.14 3.82 0.00 2.79 2.00 -1.26 -0.54 119.66 127.61 3kl8 s GLN 80 Ca -0.08 -0.34 0.00 0.00 -2.00 0.00 0.00 55.36 52.94 3kl8 s GLN 80 Cb -0.14 -3.71 0.00 0.00 0.80 0.00 0.00 33.01 29.97 3kl8 s GLN 80 CO -0.02 -0.29 0.00 0.39 -0.50 0.00 0.00 175.29 174.87 3kl8 n GLU 81 N 5.15 0.00 0.00 1.67 -0.58 -0.97 -3.30 120.64 122.61 3kl8 n GLU 81 Ca -0.12 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.62 3kl8 n GLU 81 Cb 0.51 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.38 3kl8 n GLU 81 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3kl8 n GLU 82 N 0.00 0.00 -0.00 3.49 1.02 -1.26 -4.36 120.64 119.53 3kl8 n GLU 82 Ca 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.21 3kl8 n GLU 82 Cb 0.00 -0.16 -0.09 0.00 -0.02 0.00 0.00 31.44 31.17 3kl8 n GLU 82 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3kl8 n SER 83 N -1.21 1.19 -4.90 1.62 3.41 -1.26 -4.99 113.62 107.48 3kl8 n SER 83 Ca 0.00 -0.44 -0.33 0.00 -0.26 0.00 0.00 58.87 57.83 3kl8 n SER 83 Cb 0.00 1.28 -0.05 0.00 -0.26 0.00 0.00 64.21 65.19 3kl8 n SER 83 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3kl8 s PHE 84 N -2.57 3.55 -0.06 7.33 2.99 -1.26 -0.72 117.98 127.23 3kl8 s PHE 84 Ca 0.00 0.46 0.03 0.00 0.00 0.00 0.00 56.93 57.42 3kl8 s PHE 84 Cb 0.09 -1.91 -0.03 0.00 0.00 0.00 0.00 43.02 41.18 3kl8 s PHE 84 CO 0.56 0.59 -0.13 -1.58 -0.00 0.00 0.00 175.22 174.66 3kl8 s HIS 85 N -1.39 2.76 -0.12 0.36 2.46 -0.05 -2.30 115.29 117.00 3kl8 s HIS 85 Ca 0.31 -0.18 0.01 0.00 0.47 0.00 0.00 55.06 55.67 3kl8 s HIS 85 Cb -0.13 -1.67 -0.01 0.00 -0.13 0.00 0.00 32.58 30.64 3kl8 s HIS 85 CO 0.20 0.17 -0.17 0.71 -2.47 0.00 0.00 174.74 173.18 3kl8 s TYR 86 N -0.62 2.72 -0.23 3.88 1.51 0.30 -0.91 117.35 124.00 3kl8 s TYR 86 Ca 0.09 -0.78 0.01 0.00 -1.01 0.00 0.00 57.07 55.38 3kl8 s TYR 86 Cb -0.11 -1.79 0.06 0.00 -0.11 0.00 0.00 41.96 40.00 3kl8 s TYR 86 CO 0.01 -0.28 -0.05 -0.51 -1.11 0.00 0.00 175.55 173.61 3kl8 s LEU 87 N 0.33 2.48 -0.42 -1.29 1.43 -0.10 -0.91 118.68 120.21 3kl8 s LEU 87 Ca -0.14 -1.14 -0.22 0.00 -1.03 0.00 0.00 54.13 51.60 3kl8 s LEU 87 Cb -0.17 -1.15 0.02 0.00 0.03 0.00 0.00 46.19 44.92 3kl8 s LEU 87 CO 0.07 -0.24 0.74 -0.69 0.23 0.00 0.00 176.35 176.46 3kl8 s VAL 88 N 1.42 4.73 0.20 -1.59 1.01 0.03 -0.98 120.40 125.21 3kl8 s VAL 88 Ca -0.05 0.48 0.08 0.00 0.00 0.00 0.00 61.98 62.48 3kl8 s VAL 88 Cb -0.19 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 3kl8 s VAL 88 CO -0.06 -0.59 -0.00 -0.36 0.00 0.00 0.00 175.10 174.08 3kl8 s PHE 89 N 3.10 2.80 0.42 5.22 0.40 0.22 -0.38 117.98 129.77 3kl8 s PHE 89 Ca 0.28 -0.16 -0.22 0.00 -0.60 0.00 0.00 56.93 56.23 3kl8 s PHE 89 Cb -0.13 -1.33 -0.13 0.00 0.51 0.00 0.00 43.02 41.94 3kl8 s PHE 89 CO 0.20 0.54 0.44 -0.25 0.70 0.00 0.00 175.22 176.85 3kl8 n ASP 90 N -0.30 -1.33 -4.58 1.36 10.43 -0.73 -1.26 116.55 120.14 3kl8 n ASP 90 Ca -0.09 0.88 -0.37 0.00 2.57 0.00 0.00 54.79 57.78 3kl8 n ASP 90 Cb 0.56 -1.06 -0.11 0.00 1.84 0.00 0.00 41.12 42.35 3kl8 n ASP 90 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 3kl8 s LEU 91 N 2.29 3.87 -0.04 0.64 2.96 -1.26 -4.29 118.68 122.85 3kl8 s LEU 91 Ca 0.63 -0.02 0.05 0.00 -0.22 0.00 0.00 54.13 54.57 3kl8 s LEU 91 Cb -0.61 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.03 3kl8 s LEU 91 CO 0.59 0.01 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.75 3kl8 s VAL 92 N 1.36 1.54 0.00 1.68 1.01 -1.26 -5.01 120.40 119.71 3kl8 s VAL 92 Ca 0.06 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.25 3kl8 s VAL 92 Cb -0.15 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 34.93 3kl8 s VAL 92 CO 0.06 0.44 0.00 0.35 0.00 0.00 0.00 175.10 175.95 3kl8 n THR 93 N 2.94 0.00 0.00 3.92 -2.24 -1.24 -4.72 114.28 112.93 3kl8 n THR 93 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3kl8 n THR 93 Cb 0.53 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 3kl8 n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kl8 n GLY 94 N 2.70 0.00 7.00 3.38 0.00 -0.41 -4.90 105.19 112.96 3kl8 n GLY 94 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kl8 n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kl8 n GLY 95 N -0.70 -1.55 3.82 -0.02 0.00 -1.26 -4.57 105.19 100.92 3kl8 n GLY 95 Ca 0.00 -1.22 -0.32 0.00 0.00 0.00 0.00 46.02 44.47 3kl8 n GLY 95 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kl8 s GLU 96 N 0.00 3.67 0.30 1.61 2.02 -1.26 -1.44 118.70 123.60 3kl8 s GLU 96 Ca 0.00 1.09 0.06 0.00 0.02 0.00 0.00 54.97 56.14 3kl8 s GLU 96 Cb 0.00 -2.09 0.48 0.00 0.10 0.00 0.00 34.13 32.62 3kl8 s GLU 96 CO 0.00 -0.51 1.72 1.25 0.02 0.00 0.00 175.26 177.74 3kl8 h LEU 97 N 0.75 0.27 -0.31 1.80 5.85 0.21 -2.87 115.31 121.01 3kl8 h LEU 97 Ca -0.47 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.21 3kl8 h LEU 97 Cb 1.20 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 42.08 3kl8 h LEU 97 CO 0.60 0.63 -0.38 0.15 -0.34 0.00 0.00 178.44 179.10 3kl8 h PHE 98 N 0.22 -1.07 -0.59 1.25 3.57 -1.76 -1.37 116.94 117.19 3kl8 h PHE 98 Ca 0.02 0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.66 3kl8 h PHE 98 Cb 0.77 0.51 -0.06 0.00 2.79 0.00 0.00 35.95 39.96 3kl8 h PHE 98 CO 0.01 -0.42 0.26 0.93 -2.23 0.00 0.00 178.31 176.86 3kl8 h GLU 99 N -0.35 0.46 0.00 1.11 5.08 -1.87 -0.71 114.58 118.30 3kl8 h GLU 99 Ca 0.13 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3kl8 h GLU 99 Cb 0.57 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 3kl8 h GLU 99 CO -0.49 0.30 -0.01 0.22 -1.00 0.00 0.00 179.01 178.03 3kl8 h ASP 100 N 0.47 0.00 0.15 1.42 3.58 -1.12 0.16 116.42 121.08 3kl8 h ASP 100 Ca 0.28 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.39 3kl8 h ASP 100 Cb 0.28 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.33 3kl8 h ASP 100 CO -0.25 0.01 -1.74 0.40 -2.88 0.00 0.00 179.24 174.78 3kl8 h ILE 101 N 0.00 0.87 -0.08 2.25 2.04 -0.11 -2.41 117.51 120.06 3kl8 h ILE 101 Ca -0.00 -2.43 -0.06 0.00 1.00 0.00 0.00 64.86 63.37 3kl8 h ILE 101 Cb 0.17 2.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.92 3kl8 h ILE 101 CO 0.00 0.83 -0.21 -0.37 0.00 0.00 0.00 178.15 178.40 3kl8 h VAL 102 N -0.01 1.19 0.68 1.67 -1.51 -1.15 0.47 116.25 117.60 3kl8 h VAL 102 Ca -0.36 -0.89 -0.03 0.00 -1.23 0.00 0.00 66.70 64.19 3kl8 h VAL 102 Cb 2.00 1.37 -0.01 0.00 -2.13 0.00 0.00 31.29 32.52 3kl8 h VAL 102 CO 0.12 0.27 -0.44 0.00 -1.23 0.00 0.00 177.57 176.29 3kl8 h ALA 103 N 1.66 -1.11 -0.01 5.19 0.00 -0.69 -3.21 119.26 121.09 3kl8 h ALA 103 Ca 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3kl8 h ALA 103 Cb 0.45 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3kl8 h ALA 103 CO 0.03 -1.14 -0.39 0.54 0.00 0.00 0.00 179.25 178.29 3kl8 n ARG 104 N -5.57 0.66 0.00 0.00 1.74 -0.91 -4.95 116.66 107.62 3kl8 n ARG 104 Ca -0.14 -0.43 0.00 0.00 -0.77 0.00 0.00 57.85 56.52 3kl8 n ARG 104 Cb 0.46 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 3kl8 n ARG 104 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3kl8 n GLU 105 N -0.80 0.00 0.00 5.56 1.02 0.15 -4.82 120.64 121.75 3kl8 n GLU 105 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 3kl8 n GLU 105 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.78 3kl8 n GLU 105 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 3kl8 n PHE 106 N 0.00 0.00 -1.56 -0.32 1.16 -1.24 -4.07 117.46 111.43 3kl8 n PHE 106 Ca 0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 57.45 55.26 3kl8 n PHE 106 Cb 0.00 0.00 0.06 0.00 -1.61 0.00 0.00 39.48 37.93 3kl8 n PHE 106 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 3kl8 s TYR 107 N -0.83 2.83 0.77 2.97 4.12 0.60 -4.98 117.35 122.83 3kl8 s TYR 107 Ca 0.00 1.50 -0.11 0.00 0.02 0.00 0.00 57.07 58.48 3kl8 s TYR 107 Cb 0.00 -3.00 0.05 0.00 -1.52 0.00 0.00 41.96 37.49 3kl8 s TYR 107 CO 0.00 -1.48 1.09 -1.54 0.02 0.00 0.00 175.55 173.65 3kl8 s SER 108 N -3.32 4.74 0.27 2.29 1.04 -1.26 -4.60 113.70 112.85 3kl8 s SER 108 Ca 0.61 1.29 -0.03 0.00 0.48 0.00 0.00 55.95 58.30 3kl8 s SER 108 Cb -0.16 -2.05 0.35 0.00 0.10 0.00 0.00 66.02 64.26 3kl8 s SER 108 CO 0.51 -1.81 1.87 -0.33 0.98 0.00 0.00 173.24 174.46 3kl8 h GLU 109 N -0.98 1.04 0.81 4.02 5.08 -1.96 0.34 114.58 122.93 3kl8 h GLU 109 Ca -0.46 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 57.72 3kl8 h GLU 109 Cb 1.26 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 30.33 3kl8 h GLU 109 CO 0.60 0.80 -0.39 0.00 -1.00 0.00 0.00 179.01 179.02 3kl8 h ALA 110 N 1.36 -1.08 -0.64 3.43 0.00 -1.97 0.98 119.26 121.33 3kl8 h ALA 110 Ca 0.25 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3kl8 h ALA 110 Cb 0.09 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3kl8 h ALA 110 CO -0.03 -1.08 0.42 -0.44 0.00 0.00 0.00 179.25 178.12 3kl8 h ASP 111 N -1.14 0.68 0.14 0.00 3.45 -1.90 0.38 116.42 118.02 3kl8 h ASP 111 Ca -0.11 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.33 3kl8 h ASP 111 Cb 0.84 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 39.45 3kl8 h ASP 111 CO 0.18 0.48 -0.07 0.00 -1.57 0.00 0.00 179.24 178.26 3kl8 h ALA 112 N 1.62 -0.19 -0.74 3.45 0.00 -0.02 0.15 119.26 123.53 3kl8 h ALA 112 Ca 0.25 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.16 3kl8 h ALA 112 Cb 0.02 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 3kl8 h ALA 112 CO -0.07 -0.52 0.36 1.03 0.00 0.00 0.00 179.25 180.05 3kl8 h SER 113 N -0.36 0.44 -0.24 0.00 0.87 0.17 -0.07 113.55 114.36 3kl8 h SER 113 Ca -0.02 0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 3kl8 h SER 113 Cb 0.29 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 3kl8 h SER 113 CO 0.03 0.23 0.04 -0.74 -0.53 0.00 0.00 176.83 175.86 3kl8 h HIS 114 N 0.58 0.42 -0.76 2.24 6.17 -0.78 -1.76 115.15 121.25 3kl8 h HIS 114 Ca 0.38 -0.06 -0.04 0.00 0.71 0.00 0.00 60.37 61.36 3kl8 h HIS 114 Cb 0.46 -0.12 -0.03 0.00 2.52 0.00 0.00 27.41 30.24 3kl8 h HIS 114 CO -0.12 0.51 0.31 0.00 0.71 0.00 0.00 177.93 179.34 3kl8 h ILE 116 N 1.11 1.54 -0.08 0.00 6.09 -1.04 -2.97 117.51 122.17 3kl8 h ILE 116 Ca 0.26 -2.86 -0.05 0.00 -1.37 0.00 0.00 64.86 60.84 3kl8 h ILE 116 Cb 0.20 2.63 -0.01 0.00 0.47 0.00 0.00 36.82 40.11 3kl8 h ILE 116 CO -0.02 0.83 -0.17 -0.61 -3.07 0.00 0.00 178.15 175.11 3kl8 h GLN 117 N 0.08 0.12 0.03 2.19 4.15 -1.04 0.13 115.11 120.76 3kl8 h GLN 117 Ca -0.05 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 3kl8 h GLN 117 Cb 1.64 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.31 3kl8 h GLN 117 CO 0.14 0.29 -0.01 1.96 -1.93 0.00 0.00 178.83 179.29 3kl8 h GLN 118 N 0.11 -0.03 -0.62 1.69 4.20 -1.35 -2.01 115.11 117.10 3kl8 h GLN 118 Ca 0.02 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.79 3kl8 h GLN 118 Cb 0.37 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.11 3kl8 h GLN 118 CO 0.02 0.52 0.34 0.82 -0.67 0.00 0.00 178.83 179.86 3kl8 h ILE 119 N -0.61 0.97 -0.12 2.54 2.04 -1.33 -1.99 117.51 119.01 3kl8 h ILE 119 Ca -0.00 -0.22 0.04 0.00 1.00 0.00 0.00 64.86 65.68 3kl8 h ILE 119 Cb 0.57 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 3kl8 h ILE 119 CO 0.01 0.12 -0.12 -0.07 0.00 0.00 0.00 178.15 178.08 3kl8 h LEU 120 N 0.64 -0.38 -1.21 1.44 3.38 -0.75 0.13 115.31 118.55 3kl8 h LEU 120 Ca 0.28 0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.39 3kl8 h LEU 120 Cb 0.16 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 3kl8 h LEU 120 CO -0.17 -0.16 0.56 -0.33 0.09 0.00 0.00 178.44 178.42 3kl8 h GLU 121 N -0.15 0.91 0.08 1.13 5.08 -1.04 0.50 114.58 121.09 3kl8 h GLU 121 Ca 0.08 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3kl8 h GLU 121 Cb 0.27 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3kl8 h GLU 121 CO -0.21 0.60 -0.04 0.66 -1.00 0.00 0.00 179.01 179.02 3kl8 h SER 122 N 0.93 -0.09 -0.07 1.42 4.64 -0.61 -2.00 113.55 117.78 3kl8 h SER 122 Ca 0.37 -0.38 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 3kl8 h SER 122 Cb 0.25 0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 62.30 3kl8 h SER 122 CO -0.14 0.35 -0.46 0.40 -0.87 0.00 0.00 176.83 176.11 3kl8 h ILE 123 N -0.55 0.10 -0.79 0.95 1.08 -0.38 -0.39 117.51 117.53 3kl8 h ILE 123 Ca -0.01 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.59 3kl8 h ILE 123 Cb 0.46 0.10 -0.14 0.00 -3.07 0.00 0.00 36.82 34.17 3kl8 h ILE 123 CO 0.02 0.00 -0.34 0.00 -0.69 0.00 0.00 178.15 177.14 3kl8 h ALA 124 N -0.08 0.13 -0.30 1.87 0.00 0.01 0.12 119.26 121.01 3kl8 h ALA 124 Ca 0.05 0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.22 3kl8 h ALA 124 Cb 0.66 0.85 -0.03 0.00 0.00 0.00 0.00 17.79 19.28 3kl8 h ALA 124 CO -0.38 -0.61 0.12 -0.92 0.00 0.00 0.00 179.25 177.47 3kl8 h TYR 125 N -0.07 0.23 -0.48 0.00 3.20 -0.73 0.68 116.97 119.79 3kl8 h TYR 125 Ca 0.31 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.28 3kl8 h TYR 125 Cb 0.58 -0.06 -0.08 0.00 1.54 0.00 0.00 36.73 38.71 3kl8 h TYR 125 CO -0.74 0.11 -0.03 0.00 -1.64 0.00 0.00 178.16 175.87 3kl8 h HIS 127 N 0.09 0.29 0.00 0.00 3.86 -0.32 -0.07 115.15 119.00 3kl8 h HIS 127 Ca 0.24 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 3kl8 h HIS 127 Cb 0.37 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.77 3kl8 h HIS 127 CO -0.33 0.63 0.00 -1.13 0.86 0.00 0.00 177.93 177.96 3kl8 n SER 128 N -4.67 0.00 -0.14 2.45 3.41 0.18 -0.23 113.62 114.62 3kl8 n SER 128 Ca -0.07 -0.24 0.05 0.00 -0.26 0.00 0.00 58.87 58.35 3kl8 n SER 128 Cb 0.31 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.32 3kl8 n SER 128 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kl8 n ASN 129 N -0.78 1.56 -0.10 4.04 4.13 -0.77 -5.01 115.26 118.33 3kl8 n ASN 129 Ca 0.02 -2.43 -0.01 0.00 1.68 0.00 0.00 54.58 53.84 3kl8 n ASN 129 Cb 0.01 -0.25 -0.01 0.00 -1.54 0.00 0.00 39.78 38.00 3kl8 n ASN 129 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kl8 n GLY 130 N -0.80 0.49 3.59 7.41 0.00 0.68 -4.94 105.19 111.62 3kl8 n GLY 130 Ca 0.08 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 3kl8 n GLY 130 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kl8 s ILE 131 N -1.90 4.35 -0.12 -0.61 -1.09 -0.11 -0.09 121.20 121.64 3kl8 s ILE 131 Ca 0.00 -0.20 0.01 0.00 -2.23 0.00 0.00 60.65 58.23 3kl8 s ILE 131 Cb 0.00 -2.92 -0.01 0.00 -1.58 0.00 0.00 42.46 37.95 3kl8 s ILE 131 CO 0.00 0.50 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.37 3kl8 s VAL 132 N 0.16 2.91 -0.12 2.92 1.01 -0.69 -3.44 120.40 123.14 3kl8 s VAL 132 Ca 0.02 -0.72 -0.21 0.00 0.00 0.00 0.00 61.98 61.07 3kl8 s VAL 132 Cb -0.13 -2.20 -0.19 0.00 0.00 0.00 0.00 36.38 33.87 3kl8 s VAL 132 CO 0.02 0.54 0.59 -0.74 0.00 0.00 0.00 175.10 175.50 3kl8 h HIS 133 N 6.57 -0.01 0.00 5.22 2.76 -1.89 -2.39 115.15 125.41 3kl8 h HIS 133 Ca -0.27 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.90 3kl8 h HIS 133 Cb 1.21 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.17 3kl8 h HIS 133 CO 0.50 0.68 0.00 0.54 -1.30 0.00 0.00 177.93 178.35 3kl8 n ARG 134 N -4.68 0.00 -0.96 5.26 1.74 -1.26 -3.19 116.66 113.57 3kl8 n ARG 134 Ca -0.07 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.86 3kl8 n ARG 134 Cb 0.34 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.76 3kl8 n ARG 134 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3kl8 n ASN 135 N 3.42 6.07 -4.61 0.55 5.15 -1.26 -4.61 115.26 119.98 3kl8 n ASN 135 Ca 0.00 -2.88 -0.43 0.00 -0.60 0.00 0.00 54.58 50.67 3kl8 n ASN 135 Cb 0.00 -1.16 -0.03 0.00 -0.53 0.00 0.00 39.78 38.05 3kl8 n ASN 135 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3kl8 s LEU 136 N -1.28 3.97 0.24 1.20 2.96 -1.26 -4.88 118.68 119.62 3kl8 s LEU 136 Ca 0.36 0.60 -0.13 0.00 -0.22 0.00 0.00 54.13 54.74 3kl8 s LEU 136 Cb 0.24 -3.30 -0.00 0.00 0.50 0.00 0.00 46.19 43.62 3kl8 s LEU 136 CO -0.05 -0.89 0.47 -1.59 -1.32 0.00 0.00 176.35 172.96 3kl8 s LYS 137 N 3.57 1.51 0.31 1.98 -2.85 -1.26 -4.85 119.74 118.15 3kl8 s LYS 137 Ca 0.39 -1.22 -0.01 0.00 -1.00 0.00 0.00 55.97 54.14 3kl8 s LYS 137 Cb -0.12 0.47 0.49 0.00 -2.06 0.00 0.00 37.83 36.62 3kl8 s LYS 137 CO 0.20 -0.62 1.97 -1.35 0.10 0.00 0.00 175.35 175.64 3kl8 h PRO 138 N 2.27 1.03 0.00 1.78 0.11 -1.95 -2.05 132.00 133.19 3kl8 h PRO 138 Ca -0.27 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3kl8 h PRO 138 Cb 1.25 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3kl8 h PRO 138 CO 0.36 0.68 0.00 0.39 -0.21 0.00 0.00 178.00 179.22 3kl8 n GLU 139 N -4.43 0.45 0.00 1.05 4.71 -1.26 -1.85 120.64 119.31 3kl8 n GLU 139 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.24 3kl8 n GLU 139 Cb 0.05 -1.32 0.00 0.00 -1.01 0.00 0.00 31.44 29.16 3kl8 n GLU 139 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3kl8 n ASN 140 N -0.82 1.83 -4.38 1.62 3.02 -0.77 -4.95 115.26 110.80 3kl8 n ASN 140 Ca 0.07 -1.87 -0.35 0.00 -0.03 0.00 0.00 54.58 52.40 3kl8 n ASN 140 Cb 0.03 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.07 3kl8 n ASN 140 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kl8 s LEU 141 N -0.87 3.09 0.04 3.41 1.43 -0.77 -1.82 118.68 123.18 3kl8 s LEU 141 Ca 0.00 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 3kl8 s LEU 141 Cb 0.00 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 3kl8 s LEU 141 CO 0.00 0.02 0.08 -0.76 0.23 0.00 0.00 176.35 175.93 3kl8 s LEU 142 N 1.23 3.86 -0.08 1.79 1.43 0.42 0.73 118.68 128.06 3kl8 s LEU 142 Ca 0.03 0.07 -0.05 0.00 -1.03 0.00 0.00 54.13 53.15 3kl8 s LEU 142 Cb -0.14 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 3kl8 s LEU 142 CO 0.00 0.22 0.14 -0.76 0.23 0.00 0.00 176.35 176.18 3kl8 s LEU 143 N -2.08 4.29 0.09 1.79 1.43 -0.52 0.80 118.68 124.48 3kl8 s LEU 143 Ca 0.26 0.39 -0.26 0.00 -1.03 0.00 0.00 54.13 53.49 3kl8 s LEU 143 Cb -0.12 -2.21 -0.15 0.00 0.03 0.00 0.00 46.19 43.74 3kl8 s LEU 143 CO 0.18 0.36 1.69 0.00 0.23 0.00 0.00 176.35 178.82 3kl8 h ALA 144 N 4.63 -0.31 -3.73 4.21 0.00 -1.20 -1.09 119.26 121.78 3kl8 h ALA 144 Ca -0.53 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.11 3kl8 h ALA 144 Cb 1.21 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 3kl8 h ALA 144 CO 0.61 -0.68 -0.18 -1.13 0.00 0.00 0.00 179.25 177.87 3kl8 n SER 145 N -5.24 -0.53 -1.68 0.00 3.41 -1.26 -3.02 113.62 105.30 3kl8 n SER 145 Ca -0.09 -2.10 -0.05 0.00 -0.26 0.00 0.00 58.87 56.37 3kl8 n SER 145 Cb 0.16 1.09 0.22 0.00 -0.26 0.00 0.00 64.21 65.43 3kl8 n SER 145 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kl8 n LYS 146 N -0.33 3.00 -0.74 4.33 5.02 -1.26 -4.65 118.16 123.54 3kl8 n LYS 146 Ca 0.03 -2.24 -0.33 0.00 -2.02 0.00 0.00 58.31 53.75 3kl8 n LYS 146 Cb 0.32 -1.97 0.14 0.00 -0.02 0.00 0.00 35.03 33.50 3kl8 n LYS 146 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kl8 n ALA 147 N -0.05 -3.25 -2.10 7.82 0.00 -1.26 -4.86 120.51 116.82 3kl8 n ALA 147 Ca 0.30 -0.90 -0.41 0.00 0.00 0.00 0.00 53.44 52.44 3kl8 n ALA 147 Cb 1.12 -1.69 -0.00 0.00 0.00 0.00 0.00 19.45 18.88 3kl8 n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3kl8 n LYS 148 N -1.92 4.44 0.00 0.00 3.00 -1.26 -3.53 118.16 118.90 3kl8 n LYS 148 Ca 0.04 -3.53 0.00 0.00 -0.00 0.00 0.00 58.31 54.82 3kl8 n LYS 148 Cb 0.57 -2.68 0.00 0.00 0.00 0.00 0.00 35.03 32.92 3kl8 n LYS 148 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kl8 n GLY 149 N 1.86 0.03 3.34 3.14 0.00 -1.26 -5.15 105.19 107.15 3kl8 n GLY 149 Ca 0.57 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.18 3kl8 n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kl8 n ALA 150 N 0.00 -2.52 -1.76 4.61 0.00 -1.23 -4.92 120.51 114.69 3kl8 n ALA 150 Ca 0.00 0.10 -0.32 0.00 0.00 0.00 0.00 53.44 53.22 3kl8 n ALA 150 Cb 0.00 -1.56 0.01 0.00 0.00 0.00 0.00 19.45 17.89 3kl8 n ALA 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kl8 s ALA 151 N -1.67 2.94 -0.07 0.00 0.00 -1.26 -4.79 121.76 116.91 3kl8 s ALA 151 Ca 0.61 0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.69 3kl8 s ALA 151 Cb -0.60 -3.14 -0.03 0.00 0.00 0.00 0.00 23.12 19.36 3kl8 s ALA 151 CO 0.61 -0.71 -0.11 0.08 0.00 0.00 0.00 175.76 175.64 3kl8 s VAL 152 N -2.88 3.33 0.04 0.00 1.01 -1.26 -0.66 120.40 119.98 3kl8 s VAL 152 Ca 0.58 -0.61 0.08 0.00 0.00 0.00 0.00 61.98 62.03 3kl8 s VAL 152 Cb -0.12 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 3kl8 s VAL 152 CO 0.45 0.58 -0.23 -0.54 0.00 0.00 0.00 175.10 175.36 3kl8 s LYS 153 N -0.60 1.59 -0.07 2.72 -0.14 0.24 -4.47 119.74 119.00 3kl8 s LYS 153 Ca 0.09 -1.02 -0.16 0.00 -1.36 0.00 0.00 55.97 53.52 3kl8 s LYS 153 Cb -0.11 -1.73 -0.05 0.00 -1.68 0.00 0.00 37.83 34.25 3kl8 s LYS 153 CO 0.01 0.45 0.41 -1.17 -0.76 0.00 0.00 175.35 174.29 3kl8 s LEU 154 N -1.19 4.37 0.23 3.17 2.96 0.13 -0.43 118.68 127.92 3kl8 s LEU 154 Ca 0.09 0.84 -0.03 0.00 -0.22 0.00 0.00 54.13 54.82 3kl8 s LEU 154 Cb -0.09 -2.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.98 3kl8 s LEU 154 CO 0.02 0.18 0.24 0.00 -1.32 0.00 0.00 176.35 175.47 3kl8 s ALA 155 N -0.27 0.93 -0.27 5.97 0.00 -0.76 -2.27 121.76 125.10 3kl8 s ALA 155 Ca 0.23 -1.56 -0.03 0.00 0.00 0.00 0.00 51.96 50.60 3kl8 s ALA 155 Cb -0.16 1.32 0.00 0.00 0.00 0.00 0.00 23.12 24.29 3kl8 s ALA 155 CO 0.11 -0.66 0.12 -3.47 0.00 0.00 0.00 175.76 171.86 3kl8 n ASP 156 N -0.49 -6.74 -1.86 0.00 2.03 -1.26 -4.86 116.55 103.36 3kl8 n ASP 156 Ca 0.02 0.95 -0.10 0.00 0.52 0.00 0.00 54.79 56.18 3kl8 n ASP 156 Cb 0.65 -4.44 0.25 0.00 -0.72 0.00 0.00 41.12 36.86 3kl8 n ASP 156 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3kl8 n PHE 157 N 0.32 2.32 -0.35 -0.67 3.72 -1.26 -4.56 117.46 116.99 3kl8 n PHE 157 Ca 0.02 -1.42 0.13 0.00 -0.05 0.00 0.00 57.45 56.14 3kl8 n PHE 157 Cb 0.09 -0.71 0.32 0.00 -0.94 0.00 0.00 39.48 38.25 3kl8 n PHE 157 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3kl8 h GLY 158 N 1.90 1.79 -1.78 1.37 0.00 -1.92 -0.98 103.07 103.45 3kl8 h GLY 158 Ca 0.34 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kl8 h GLY 158 CO 0.76 -0.09 -0.06 1.04 0.00 0.00 0.00 176.54 178.19 3kl8 n LEU 159 N -4.79 2.84 -4.65 3.11 4.77 -1.26 -4.98 117.00 112.04 3kl8 n LEU 159 Ca 0.24 -0.97 -0.38 0.00 -0.03 0.00 0.00 56.01 54.87 3kl8 n LEU 159 Cb 0.59 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.73 3kl8 n LEU 159 CO 0.20 0.48 0.67 0.00 -1.33 0.00 0.00 177.39 177.41 3kl8 n ALA 160 N 1.15 0.54 -3.14 -1.18 0.00 -0.38 -4.72 120.51 112.79 3kl8 n ALA 160 Ca 0.13 0.03 -0.12 0.00 0.00 0.00 0.00 53.44 53.49 3kl8 n ALA 160 Cb 0.57 -2.18 -0.10 0.00 0.00 0.00 0.00 19.45 17.75 3kl8 n ALA 160 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3kl8 s ILE 161 N -1.45 0.07 -0.13 0.00 -4.36 -0.90 -4.99 121.20 109.45 3kl8 s ILE 161 Ca 0.76 -0.62 -0.12 0.00 -0.26 0.00 0.00 60.65 60.41 3kl8 s ILE 161 Cb -0.42 -0.47 -0.05 0.00 1.25 0.00 0.00 42.46 42.77 3kl8 s ILE 161 CO 0.47 -0.34 0.26 -1.83 0.24 0.00 0.00 174.94 173.74 3kl8 s GLU 162 N -1.32 4.01 0.05 0.37 -1.05 -1.26 -1.70 118.70 117.79 3kl8 s GLU 162 Ca -0.14 0.06 -0.08 0.00 -0.15 0.00 0.00 54.97 54.66 3kl8 s GLU 162 Cb -0.07 -3.34 -0.00 0.00 -0.44 0.00 0.00 34.13 30.28 3kl8 s GLU 162 CO 0.02 0.44 0.17 0.14 0.95 0.00 0.00 175.26 176.99 3kl8 s VAL 163 N -0.14 0.12 0.71 1.83 -7.23 0.87 -5.01 120.40 111.54 3kl8 s VAL 163 Ca 0.16 -0.98 -0.07 0.00 -1.81 0.00 0.00 61.98 59.28 3kl8 s VAL 163 Cb -0.13 -0.98 0.15 0.00 0.56 0.00 0.00 36.38 35.99 3kl8 s VAL 163 CO 0.05 -0.54 0.96 -0.46 -0.31 0.00 0.00 175.10 174.80 3kl8 n ASN 164 N 0.59 0.62 0.00 4.85 0.23 -1.26 -4.57 115.26 115.72 3kl8 n ASN 164 Ca -0.18 -1.68 0.06 0.00 -0.53 0.00 0.00 54.58 52.25 3kl8 n ASN 164 Cb 0.59 -0.69 0.35 0.00 -2.08 0.00 0.00 39.78 37.96 3kl8 n ASN 164 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3kl8 n ASP 165 N -3.30 0.00 -4.66 0.53 5.68 -1.26 -4.76 116.55 108.78 3kl8 n ASP 165 Ca 0.14 -0.12 -0.38 0.00 -0.50 0.00 0.00 54.79 53.92 3kl8 n ASP 165 Cb 0.49 -0.16 -0.08 0.00 -1.14 0.00 0.00 41.12 40.23 3kl8 n ASP 165 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 3kl8 s SER 166 N -2.32 6.41 0.25 -1.12 0.01 -1.26 -5.04 113.70 110.63 3kl8 s SER 166 Ca 0.15 0.48 -0.30 0.00 1.31 0.00 0.00 55.95 57.60 3kl8 s SER 166 Cb 0.09 -2.23 -0.09 0.00 0.21 0.00 0.00 66.02 64.00 3kl8 s SER 166 CO 0.17 -0.08 1.23 -1.61 0.41 0.00 0.00 173.24 173.36 3kl8 s GLU 167 N 1.39 4.46 0.00 12.44 2.02 -1.26 -4.94 118.70 132.81 3kl8 s GLU 167 Ca 0.18 1.99 0.00 0.00 0.02 0.00 0.00 54.97 57.17 3kl8 s GLU 167 Cb -0.15 -3.17 0.00 0.00 0.10 0.00 0.00 34.13 30.91 3kl8 s GLU 167 CO 0.08 -0.09 0.00 0.00 0.02 0.00 0.00 175.26 175.27 3kl8 n ALA 168 N 1.81 0.00 -3.60 5.21 0.00 -1.18 -4.85 120.51 117.90 3kl8 n ALA 168 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.14 3kl8 n ALA 168 Cb 0.43 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.81 3kl8 n ALA 168 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3kl8 n TRP 169 N 0.00 3.66 -1.13 0.00 -0.00 -1.26 0.55 117.44 119.26 3kl8 n TRP 169 Ca 0.00 -4.04 -0.33 0.00 -0.00 0.00 0.00 57.50 53.13 3kl8 n TRP 169 Cb 0.00 -0.88 -0.02 0.00 -0.00 0.00 0.00 31.31 30.41 3kl8 n TRP 169 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 177.69 178.41 3kl8 n HIS 170 N 1.76 2.09 -1.41 5.87 8.25 -1.26 -4.88 115.22 125.64 3kl8 n HIS 170 Ca 0.24 -2.68 0.08 0.00 -0.26 0.00 0.00 57.72 55.10 3kl8 n HIS 170 Cb 0.37 -2.20 -0.02 0.00 1.12 0.00 0.00 29.99 29.26 3kl8 n HIS 170 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kl8 n GLY 171 N 3.68 -1.99 2.77 -1.41 0.00 -1.26 -4.83 105.19 102.15 3kl8 n GLY 171 Ca 0.65 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 3kl8 n GLY 171 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kl8 s PHE 172 N -1.30 1.58 0.21 1.61 5.36 -1.26 -5.09 117.98 119.09 3kl8 s PHE 172 Ca 0.00 -1.41 -0.22 0.00 -0.96 0.00 0.00 56.93 54.34 3kl8 s PHE 172 Cb 0.00 -1.43 0.05 0.00 -0.34 0.00 0.00 43.02 41.30 3kl8 s PHE 172 CO 0.00 -0.76 0.65 0.00 -1.46 0.00 0.00 175.22 173.65 3kl8 s ALA 173 N 1.67 -1.45 0.00 11.12 0.00 -1.26 -5.17 121.76 126.67 3kl8 s ALA 173 Ca 0.03 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.16 3kl8 s ALA 173 Cb -0.17 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.82 3kl8 s ALA 173 CO -0.15 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.14 3kl8 n GLY 174 N -0.41 2.05 3.71 0.00 0.00 -1.26 -4.85 105.19 104.43 3kl8 n GLY 174 Ca -0.12 -1.96 -0.39 0.00 0.00 0.00 0.00 46.02 43.55 3kl8 n GLY 174 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kl8 s THR 175 N -1.52 5.08 -0.27 2.61 2.01 -1.26 -4.98 115.64 117.31 3kl8 s THR 175 Ca 0.00 1.26 -0.28 0.00 0.31 0.00 0.00 61.69 62.97 3kl8 s THR 175 Cb 0.00 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 3kl8 s THR 175 CO 0.00 0.25 1.90 -2.84 -0.69 0.00 0.00 174.62 173.24 3kl8 s PRO 176 N 0.94 3.38 0.00 4.92 0.02 -1.26 -1.56 135.00 141.44 3kl8 s PRO 176 Ca 0.33 1.68 0.00 0.00 0.02 0.00 0.00 61.00 63.03 3kl8 s PRO 176 Cb -0.17 -4.22 0.00 0.00 0.02 0.00 0.00 34.50 30.13 3kl8 s PRO 176 CO 0.14 -1.81 0.00 0.41 -0.33 0.00 0.00 177.00 175.42 3kl8 n GLY 177 N 5.38 2.46 0.01 0.52 0.00 -1.26 -4.88 105.19 107.42 3kl8 n GLY 177 Ca 0.24 -0.32 0.06 0.00 0.00 0.00 0.00 46.02 46.00 3kl8 n GLY 177 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kl8 n TYR 178 N 0.00 0.00 -1.69 1.61 4.01 -0.60 -4.79 117.16 115.70 3kl8 n TYR 178 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.36 3kl8 n TYR 178 Cb 0.00 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.08 3kl8 n TYR 178 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3kl8 n LEU 179 N -1.27 4.87 -4.84 7.72 4.77 -0.98 -4.31 117.00 122.97 3kl8 n LEU 179 Ca 0.02 0.91 -0.33 0.00 -0.03 0.00 0.00 56.01 56.58 3kl8 n LEU 179 Cb 0.20 -1.50 -0.06 0.00 -2.33 0.00 0.00 43.42 39.72 3kl8 n LEU 179 CO 0.25 -1.07 0.42 -0.94 -1.33 0.00 0.00 177.39 174.72 3kl8 s SER 180 N -1.07 6.85 0.18 -1.43 1.04 -1.26 -4.98 113.70 113.03 3kl8 s SER 180 Ca 0.74 1.31 -0.15 0.00 0.48 0.00 0.00 55.95 58.33 3kl8 s SER 180 Cb -0.42 -2.38 0.15 0.00 0.10 0.00 0.00 66.02 63.46 3kl8 s SER 180 CO 0.48 -0.14 1.66 -0.65 0.98 0.00 0.00 173.24 175.56 3kl8 h PRO 181 N 2.56 0.02 -0.25 4.02 0.11 -1.89 -1.83 132.00 134.73 3kl8 h PRO 181 Ca -0.48 -0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.70 3kl8 h PRO 181 Cb 1.18 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3kl8 h PRO 181 CO 0.65 0.01 0.24 1.05 -0.21 0.00 0.00 178.00 179.75 3kl8 h GLU 182 N 0.02 0.00 0.00 1.05 9.09 -1.95 -0.30 114.58 122.49 3kl8 h GLU 182 Ca 0.23 0.00 -0.18 0.00 0.05 0.00 0.00 59.36 59.46 3kl8 h GLU 182 Cb 0.36 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.43 3kl8 h GLU 182 CO -0.48 0.00 -1.14 0.28 0.05 0.00 0.00 179.01 177.72 3kl8 h VAL 183 N 0.00 0.91 0.00 -1.06 2.07 -1.63 -0.08 116.25 116.46 3kl8 h VAL 183 Ca 0.12 -2.48 -0.11 0.00 0.82 0.00 0.00 66.70 65.04 3kl8 h VAL 183 Cb 0.61 2.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.74 3kl8 h VAL 183 CO -0.00 0.52 -0.53 -0.07 0.02 0.00 0.00 177.57 177.51 3kl8 h LEU 184 N 0.00 0.00 -0.85 2.57 3.38 -0.74 -3.02 115.31 116.65 3kl8 h LEU 184 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3kl8 h LEU 184 Cb 1.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.40 3kl8 h LEU 184 CO 0.07 0.53 0.00 0.29 0.09 0.00 0.00 178.44 179.43 3kl8 n LYS 185 N -3.23 1.54 -2.48 1.13 5.02 -0.42 -4.87 118.16 114.84 3kl8 n LYS 185 Ca 0.02 -0.73 -0.07 0.00 -2.02 0.00 0.00 58.31 55.51 3kl8 n LYS 185 Cb 0.75 -1.23 -0.00 0.00 -0.02 0.00 0.00 35.03 34.53 3kl8 n LYS 185 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kl8 n LYS 186 N 0.09 -2.59 -1.74 1.97 4.76 -1.14 -4.93 118.16 114.58 3kl8 n LYS 186 Ca 0.07 0.32 -0.29 0.00 -2.87 0.00 0.00 58.31 55.54 3kl8 n LYS 186 Cb 0.21 -4.88 0.12 0.00 -1.84 0.00 0.00 35.03 28.64 3kl8 n LYS 186 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3kl8 s ASP 187 N -2.03 3.91 0.27 4.39 1.01 -0.05 -5.02 116.67 119.16 3kl8 s ASP 187 Ca 0.01 0.81 -0.29 0.00 0.71 0.00 0.00 52.55 53.79 3kl8 s ASP 187 Cb -0.00 -1.30 -0.09 0.00 1.01 0.00 0.00 42.92 42.54 3kl8 s ASP 187 CO 0.01 -2.28 0.99 -2.84 0.21 0.00 0.00 175.17 171.25 3kl8 s PRO 188 N -5.48 4.74 0.27 8.23 0.02 -1.26 -4.69 135.00 136.83 3kl8 s PRO 188 Ca 0.64 1.56 0.02 0.00 0.02 0.00 0.00 61.00 63.24 3kl8 s PRO 188 Cb -0.12 -3.17 -0.05 0.00 0.02 0.00 0.00 34.50 31.18 3kl8 s PRO 188 CO 0.51 0.38 0.06 1.52 -0.33 0.00 0.00 177.00 179.15 3kl8 s TYR 189 N -1.24 1.63 0.00 6.54 -0.85 0.19 -4.75 117.35 118.87 3kl8 s TYR 189 Ca 0.44 -1.07 0.00 0.00 -0.52 0.00 0.00 57.07 55.91 3kl8 s TYR 189 Cb -0.27 -0.98 0.00 0.00 0.38 0.00 0.00 41.96 41.09 3kl8 s TYR 189 CO 0.33 -0.19 0.00 0.45 -1.52 0.00 0.00 175.55 174.62 3kl8 n SER 190 N -0.50 0.10 -0.31 -0.18 2.88 -1.26 -3.08 113.62 111.26 3kl8 n SER 190 Ca -0.02 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.68 3kl8 n SER 190 Cb 0.66 0.00 0.32 0.00 -0.75 0.00 0.00 64.21 64.44 3kl8 n SER 190 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3kl8 h LYS 191 N 0.00 0.12 0.00 -1.46 1.57 -1.96 -2.47 116.57 112.37 3kl8 h LYS 191 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3kl8 h LYS 191 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3kl8 h LYS 191 CO 0.00 0.08 0.00 -2.30 -0.57 0.00 0.00 179.45 176.66 3kl8 n PRO 192 N -5.30 0.01 0.18 3.15 -0.02 -1.26 -1.33 135.00 130.43 3kl8 n PRO 192 Ca 0.24 0.49 0.17 0.00 -2.02 0.00 0.00 63.50 62.38 3kl8 n PRO 192 Cb 0.77 -1.54 0.80 0.00 -0.02 0.00 0.00 33.50 33.51 3kl8 n PRO 192 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3kl8 h VAL 193 N 0.00 0.51 0.13 -1.45 -1.51 -1.86 -1.99 116.25 110.08 3kl8 h VAL 193 Ca 0.00 0.00 -0.19 0.00 -1.23 0.00 0.00 66.70 65.28 3kl8 h VAL 193 Cb 0.02 0.82 0.02 0.00 -2.13 0.00 0.00 31.29 30.02 3kl8 h VAL 193 CO 0.00 0.00 -0.86 0.44 -1.23 0.00 0.00 177.57 175.92 3kl8 h ASP 194 N 0.00 0.44 -0.32 4.19 3.45 -1.47 -2.95 116.42 119.77 3kl8 h ASP 194 Ca 0.11 -0.94 0.09 0.00 0.43 0.00 0.00 57.03 56.72 3kl8 h ASP 194 Cb 0.57 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.18 3kl8 h ASP 194 CO -0.00 1.41 0.26 0.40 -1.57 0.00 0.00 179.24 179.73 3kl8 h ILE 195 N -0.39 0.69 -0.13 0.35 1.08 -1.57 0.37 117.51 117.91 3kl8 h ILE 195 Ca -0.16 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.29 3kl8 h ILE 195 Cb 1.63 0.81 -0.01 0.00 -3.07 0.00 0.00 36.82 36.19 3kl8 h ILE 195 CO 0.13 0.00 0.01 -0.25 -0.69 0.00 0.00 178.15 177.35 3kl8 h TRP 196 N 0.00 0.25 -0.91 1.37 2.91 -1.29 -2.54 115.95 115.75 3kl8 h TRP 196 Ca 0.15 -0.04 0.10 0.00 1.13 0.00 0.00 58.89 60.23 3kl8 h TRP 196 Cb 0.66 -0.07 -0.07 0.00 -0.51 0.00 0.00 29.16 29.17 3kl8 h TRP 196 CO 0.00 0.44 0.55 0.00 -1.03 0.00 0.00 178.44 178.40 3kl8 h ALA 197 N 0.78 1.31 -0.01 2.65 0.00 -0.82 -1.85 119.26 121.31 3kl8 h ALA 197 Ca 0.04 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3kl8 h ALA 197 Cb 0.33 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 3kl8 h ALA 197 CO 0.00 0.20 -0.31 0.00 0.00 0.00 0.00 179.25 179.15 3kl8 h GLY 199 N -0.45 1.65 1.00 0.00 0.00 -0.93 0.70 103.07 105.04 3kl8 h GLY 199 Ca 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 3kl8 h GLY 199 CO -0.26 -0.23 -0.11 -2.08 0.00 0.00 0.00 176.54 173.85 3kl8 h VAL 200 N 0.49 0.77 0.91 4.60 2.07 -1.02 0.17 116.25 124.24 3kl8 h VAL 200 Ca 0.58 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 68.05 3kl8 h VAL 200 Cb 1.07 0.78 0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3kl8 h VAL 200 CO -0.49 0.00 -0.44 0.40 0.02 0.00 0.00 177.57 177.06 3kl8 h ILE 201 N -0.32 0.00 -0.98 4.57 2.04 0.65 -0.57 117.51 122.90 3kl8 h ILE 201 Ca -0.03 -0.04 0.26 0.00 1.00 0.00 0.00 64.86 66.04 3kl8 h ILE 201 Cb 0.24 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.26 3kl8 h ILE 201 CO 0.05 0.00 0.67 0.25 0.00 0.00 0.00 178.15 179.12 3kl8 h LEU 202 N -1.27 0.24 -0.20 1.44 5.85 0.15 0.38 115.31 121.90 3kl8 h LEU 202 Ca -0.13 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 3kl8 h LEU 202 Cb 0.94 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 3kl8 h LEU 202 CO 0.21 0.07 0.04 0.22 -0.34 0.00 0.00 178.44 178.64 3kl8 h TYR 203 N 0.23 0.33 0.23 1.25 5.03 -0.54 -3.10 116.97 120.40 3kl8 h TYR 203 Ca 0.51 -0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.77 3kl8 h TYR 203 Cb 1.58 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 39.76 3kl8 h TYR 203 CO -0.00 0.44 -0.16 0.82 -1.32 0.00 0.00 178.16 177.94 3kl8 h ILE 204 N 0.13 0.66 -0.83 1.81 2.04 0.13 -2.92 117.51 118.52 3kl8 h ILE 204 Ca 0.06 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.12 3kl8 h ILE 204 Cb 0.28 0.66 -0.15 0.00 -0.74 0.00 0.00 36.82 36.87 3kl8 h ILE 204 CO 0.00 0.00 0.01 -0.07 0.00 0.00 0.00 178.15 178.09 3kl8 h LEU 205 N -0.39 -0.39 -1.36 1.44 3.38 -0.96 2.51 115.31 119.55 3kl8 h LEU 205 Ca -0.02 0.22 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 3kl8 h LEU 205 Cb 0.33 0.39 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3kl8 h LEU 205 CO 0.01 -0.23 -0.21 -0.07 0.09 0.00 0.00 178.44 178.03 3kl8 h LEU 206 N 0.08 0.00 0.00 1.67 3.38 -1.44 0.17 115.31 119.18 3kl8 h LEU 206 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 3kl8 h LEU 206 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3kl8 h LEU 206 CO -0.75 0.21 -0.05 1.33 0.09 0.00 0.00 178.44 179.27 3kl8 n VAL 207 N -3.49 0.00 -0.94 1.22 0.24 0.62 -4.70 118.33 111.28 3kl8 n VAL 207 Ca -0.01 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 3kl8 n VAL 207 Cb 0.37 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.41 3kl8 n VAL 207 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kl8 n GLY 208 N 0.23 0.88 3.45 7.63 0.00 0.82 -4.87 105.19 113.32 3kl8 n GLY 208 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3kl8 n GLY 208 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kl8 s TYR 209 N -3.50 2.22 0.72 1.61 -0.85 -1.26 -5.01 117.35 111.28 3kl8 s TYR 209 Ca 0.00 -0.36 -0.11 0.00 -0.52 0.00 0.00 57.07 56.07 3kl8 s TYR 209 Cb 0.00 -0.99 0.02 0.00 0.38 0.00 0.00 41.96 41.38 3kl8 s TYR 209 CO 0.00 0.64 1.08 -2.14 -1.52 0.00 0.00 175.55 173.61 3kl8 s PRO 210 N -3.40 2.70 -0.11 -3.49 0.02 -1.26 -4.22 135.00 125.25 3kl8 s PRO 210 Ca 0.28 0.69 -0.20 0.00 0.02 0.00 0.00 61.00 61.78 3kl8 s PRO 210 Cb -0.05 -1.98 -0.17 0.00 0.02 0.00 0.00 34.50 32.31 3kl8 s PRO 210 CO 0.13 -1.20 0.62 -1.35 -0.33 0.00 0.00 177.00 174.88 3kl8 h PRO 211 N -0.78 -0.04 -5.25 5.54 0.11 -1.93 -3.45 132.00 126.20 3kl8 h PRO 211 Ca -0.45 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.04 3kl8 h PRO 211 Cb 1.24 0.01 -0.18 0.00 0.11 0.00 0.00 31.00 32.18 3kl8 h PRO 211 CO 0.60 0.58 -0.60 -0.06 -0.21 0.00 0.00 178.00 178.31 3kl8 s PHE 212 N -2.37 3.17 -0.29 0.65 2.99 -1.26 -4.79 117.98 116.09 3kl8 s PHE 212 Ca -0.13 -0.08 -0.18 0.00 0.00 0.00 0.00 56.93 56.54 3kl8 s PHE 212 Cb -0.01 -2.06 0.14 0.00 0.00 0.00 0.00 43.02 41.08 3kl8 s PHE 212 CO 0.48 0.05 0.96 -0.46 -0.00 0.00 0.00 175.22 176.24 3kl8 s TRP 213 N 0.50 -0.60 0.12 0.36 -0.00 -1.26 -4.92 118.94 113.15 3kl8 s TRP 213 Ca 0.01 1.23 -0.07 0.00 -0.00 0.00 0.00 56.10 57.27 3kl8 s TRP 213 Cb -0.13 0.37 -0.01 0.00 -0.00 0.00 0.00 33.47 33.70 3kl8 s TRP 213 CO 0.01 -0.30 0.20 0.34 -0.00 0.00 0.00 176.95 177.21 3kl8 s ASP 214 N 1.18 0.13 0.22 5.86 -1.08 -1.26 -4.97 116.67 116.75 3kl8 s ASP 214 Ca -0.07 -0.81 -0.09 0.00 -0.52 0.00 0.00 52.55 51.06 3kl8 s ASP 214 Cb -0.04 0.36 0.19 0.00 -1.46 0.00 0.00 42.92 41.97 3kl8 s ASP 214 CO -0.14 -0.78 1.90 -0.33 0.52 0.00 0.00 175.17 176.33 3kl8 h GLU 215 N 2.71 1.10 -5.46 4.34 4.39 -2.02 -3.41 114.58 116.23 3kl8 h GLU 215 Ca -0.33 -0.07 -0.61 0.00 0.34 0.00 0.00 59.36 58.69 3kl8 h GLU 215 Cb 1.21 -0.25 -0.12 0.00 -0.10 0.00 0.00 28.75 29.49 3kl8 h GLU 215 CO 0.54 0.73 0.00 0.34 -1.16 0.00 0.00 179.01 179.46 3kl8 s ASP 216 N -5.96 6.51 0.27 1.42 2.15 -1.26 -4.97 116.67 114.84 3kl8 s ASP 216 Ca -0.13 0.62 -0.01 0.00 0.43 0.00 0.00 52.55 53.46 3kl8 s ASP 216 Cb 0.16 -2.29 0.60 0.00 -0.30 0.00 0.00 42.92 41.09 3kl8 s ASP 216 CO 0.79 -0.25 1.67 -0.61 -0.17 0.00 0.00 175.17 176.60 3kl8 h GLN 217 N 7.76 0.27 -0.06 4.34 4.15 -2.00 -1.44 115.11 128.12 3kl8 h GLN 217 Ca -0.31 -0.02 -0.19 0.00 0.77 0.00 0.00 58.65 58.91 3kl8 h GLN 217 Cb 1.14 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 28.78 3kl8 h GLN 217 CO 0.73 0.18 -0.70 0.45 -1.93 0.00 0.00 178.83 177.57 3kl8 h HIS 218 N 0.28 0.82 -1.12 3.99 3.86 -1.94 -1.64 115.15 119.41 3kl8 h HIS 218 Ca 0.49 -0.40 0.33 0.00 -1.16 0.00 0.00 60.37 59.62 3kl8 h HIS 218 Cb 0.92 -0.11 -0.11 0.00 1.06 0.00 0.00 27.41 29.16 3kl8 h HIS 218 CO -0.24 1.22 0.70 0.00 0.86 0.00 0.00 177.93 180.47 3kl8 h ARG 219 N 0.20 0.29 0.06 2.45 2.47 -1.82 -1.76 114.38 116.27 3kl8 h ARG 219 Ca -0.07 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.63 3kl8 h ARG 219 Cb 1.36 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.62 3kl8 h ARG 219 CO 0.14 0.19 -0.03 1.25 0.56 0.00 0.00 179.97 182.08 3kl8 h LEU 220 N 0.30 -0.07 -1.52 3.04 5.85 -0.62 -2.84 115.31 119.45 3kl8 h LEU 220 Ca 0.69 0.00 0.46 0.00 0.84 0.00 0.00 57.88 59.87 3kl8 h LEU 220 Cb 1.84 0.02 -0.12 0.00 0.37 0.00 0.00 40.66 42.77 3kl8 h LEU 220 CO -0.39 -0.02 0.95 1.88 -0.34 0.00 0.00 178.44 180.51 3kl8 h TYR 221 N -0.13 0.42 0.18 1.25 0.05 -1.14 1.40 116.97 119.00 3kl8 h TYR 221 Ca -0.01 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 3kl8 h TYR 221 Cb 0.06 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 37.70 3kl8 h TYR 221 CO 0.11 -0.17 -0.10 0.00 -1.05 0.00 0.00 178.16 176.96 3kl8 h ALA 222 N 1.50 -0.25 -0.91 3.88 0.00 -1.35 0.15 119.26 122.27 3kl8 h ALA 222 Ca 0.83 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.69 3kl8 h ALA 222 Cb 2.77 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 20.63 3kl8 h ALA 222 CO -0.34 -0.64 0.56 0.37 0.00 0.00 0.00 179.25 179.19 3kl8 h GLN 223 N -0.26 1.24 0.45 0.00 4.15 0.21 0.12 115.11 121.01 3kl8 h GLN 223 Ca -0.02 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.27 3kl8 h GLN 223 Cb 0.20 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.64 3kl8 h GLN 223 CO 0.03 0.86 -0.21 0.82 -1.93 0.00 0.00 178.83 178.40 3kl8 h ILE 224 N 1.26 0.00 -1.01 2.39 2.04 -0.83 -0.34 117.51 121.01 3kl8 h ILE 224 Ca 0.33 -0.08 0.33 0.00 1.00 0.00 0.00 64.86 66.44 3kl8 h ILE 224 Cb -0.06 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 35.87 3kl8 h ILE 224 CO -0.06 0.00 0.58 0.11 0.00 0.00 0.00 178.15 178.77 3kl8 h LYS 225 N -0.68 0.29 -0.08 2.37 1.57 -0.57 0.29 116.57 119.76 3kl8 h LYS 225 Ca -0.06 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.61 3kl8 h LYS 225 Cb 0.46 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3kl8 h LYS 225 CO 0.10 0.19 -0.36 0.00 -0.57 0.00 0.00 179.45 178.81 3kl8 h ALA 226 N 1.85 1.23 -0.00 3.86 0.00 -0.88 -3.47 119.26 121.86 3kl8 h ALA 226 Ca 0.74 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3kl8 h ALA 226 Cb 1.73 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3kl8 h ALA 226 CO -0.61 0.53 0.00 0.41 0.00 0.00 0.00 179.25 179.58 3kl8 n GLY 227 N -0.34 0.98 3.46 0.00 0.00 0.10 -5.00 105.19 104.38 3kl8 n GLY 227 Ca -0.01 -0.56 -0.44 0.00 0.00 0.00 0.00 46.02 45.01 3kl8 n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kl8 s ALA 228 N -2.00 3.61 0.07 4.61 0.00 -0.20 -4.96 121.76 122.89 3kl8 s ALA 228 Ca 0.00 -3.00 -0.00 0.00 0.00 0.00 0.00 51.96 48.96 3kl8 s ALA 228 Cb 0.00 -4.08 -0.04 0.00 0.00 0.00 0.00 23.12 19.00 3kl8 s ALA 228 CO 0.00 -2.90 -0.04 1.52 0.00 0.00 0.00 175.76 174.33 3kl8 s TYR 229 N 2.27 0.65 0.33 0.00 1.13 -1.26 -4.78 117.35 115.69 3kl8 s TYR 229 Ca 0.37 -1.01 -0.01 0.00 -1.41 0.00 0.00 57.07 55.00 3kl8 s TYR 229 Cb -0.04 -0.43 -0.01 0.00 -1.10 0.00 0.00 41.96 40.38 3kl8 s TYR 229 CO -0.06 -0.30 0.43 0.16 -2.51 0.00 0.00 175.55 173.27 3kl8 s ASP 230 N -2.96 1.02 -0.78 -0.18 -4.77 -1.26 -5.10 116.67 102.65 3kl8 s ASP 230 Ca 0.09 -1.53 0.03 0.00 -3.30 0.00 0.00 52.55 47.84 3kl8 s ASP 230 Cb 0.07 0.63 0.23 0.00 -1.09 0.00 0.00 42.92 42.76 3kl8 s ASP 230 CO -0.08 -1.23 0.77 -1.22 0.70 0.00 0.00 175.17 174.10 3kl8 n TYR 231 N -0.56 3.56 -1.78 2.11 0.53 -1.26 -5.06 117.16 114.69 3kl8 n TYR 231 Ca 0.02 -4.03 -0.41 0.00 -1.02 0.00 0.00 57.90 52.46 3kl8 n TYR 231 Cb 0.62 -0.80 -0.00 0.00 -1.03 0.00 0.00 39.34 38.12 3kl8 n TYR 231 CO 0.00 0.00 0.00 -2.14 -1.02 0.00 0.00 176.86 173.70 3kl8 s PRO 232 N -1.96 4.09 0.45 -0.72 0.02 -1.26 -4.65 135.00 130.97 3kl8 s PRO 232 Ca 0.32 2.60 -0.11 0.00 0.02 0.00 0.00 61.00 63.82 3kl8 s PRO 232 Cb 0.03 -2.96 -0.06 0.00 0.02 0.00 0.00 34.50 31.52 3kl8 s PRO 232 CO -0.07 -0.56 0.83 -1.12 -0.33 0.00 0.00 177.00 175.75 3kl8 s SER 233 N -0.11 6.50 0.01 2.53 0.01 -1.26 -2.70 113.70 118.68 3kl8 s SER 233 Ca 0.53 1.23 0.23 0.00 1.31 0.00 0.00 55.95 59.25 3kl8 s SER 233 Cb -0.47 -2.37 0.17 0.00 0.21 0.00 0.00 66.02 63.56 3kl8 s SER 233 CO 0.64 -0.48 1.17 -0.81 0.41 0.00 0.00 173.24 174.16 3kl8 n PRO 234 N -1.53 0.04 -0.22 12.44 -0.05 -1.26 -4.90 135.00 139.52 3kl8 n PRO 234 Ca 0.03 -0.00 -0.06 0.00 -0.05 0.00 0.00 63.50 63.42 3kl8 n PRO 234 Cb 0.54 -1.51 -0.01 0.00 -0.05 0.00 0.00 33.50 32.47 3kl8 n PRO 234 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 175.50 176.50 3kl8 h GLU 235 N 0.00 -0.17 0.00 0.54 9.09 -1.94 0.14 114.58 122.24 3kl8 h GLU 235 Ca 0.00 0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.42 3kl8 h GLU 235 Cb 0.53 0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.67 3kl8 h GLU 235 CO 0.00 -0.11 0.00 0.91 0.05 0.00 0.00 179.01 179.86 3kl8 n TRP 236 N -5.43 0.72 0.32 2.06 7.02 -1.10 -3.26 117.44 117.78 3kl8 n TRP 236 Ca 0.04 0.27 0.22 0.00 -1.02 0.00 0.00 57.50 57.00 3kl8 n TRP 236 Cb 0.36 -0.93 1.17 0.00 -2.42 0.00 0.00 31.31 29.48 3kl8 n TRP 236 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3kl8 h ASP 237 N 0.00 0.00 0.00 -0.99 3.32 -0.97 -2.39 116.42 115.39 3kl8 h ASP 237 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3kl8 h ASP 237 Cb 0.41 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.86 3kl8 h ASP 237 CO 0.00 0.00 -0.62 0.35 -1.72 0.00 0.00 179.24 177.25 3kl8 n THR 238 N -3.01 1.54 -3.96 0.35 -2.24 -1.20 -4.99 114.28 100.77 3kl8 n THR 238 Ca -0.03 -2.51 -0.35 0.00 -2.27 0.00 0.00 64.05 58.89 3kl8 n THR 238 Cb 0.07 0.11 -0.11 0.00 -2.10 0.00 0.00 70.33 68.30 3kl8 n THR 238 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3kl8 s VAL 239 N -2.27 4.57 0.14 2.28 1.01 -0.90 -5.05 120.40 120.18 3kl8 s VAL 239 Ca 0.36 -0.10 -0.35 0.00 0.00 0.00 0.00 61.98 61.89 3kl8 s VAL 239 Cb 0.36 -3.08 -0.15 0.00 0.00 0.00 0.00 36.38 33.51 3kl8 s VAL 239 CO -0.09 0.42 1.42 0.35 0.00 0.00 0.00 175.10 177.19 3kl8 n THR 240 N 4.04 0.20 -0.34 3.92 -2.24 -1.26 -4.80 114.28 113.79 3kl8 n THR 240 Ca -0.16 -0.05 0.18 0.00 -2.27 0.00 0.00 64.05 61.74 3kl8 n THR 240 Cb 0.52 -1.16 0.39 0.00 -2.10 0.00 0.00 70.33 67.98 3kl8 n THR 240 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3kl8 h PRO 241 N 4.89 0.56 -0.98 -0.78 0.11 -1.96 0.39 132.00 134.24 3kl8 h PRO 241 Ca -0.46 -0.03 0.27 0.00 0.11 0.00 0.00 66.00 65.89 3kl8 h PRO 241 Cb 1.30 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 3kl8 h PRO 241 CO 0.81 0.37 0.69 0.93 -0.21 0.00 0.00 178.00 180.59 3kl8 h GLU 242 N 0.58 0.10 0.19 1.05 3.07 -1.99 0.24 114.58 117.82 3kl8 h GLU 242 Ca 0.63 -0.01 -0.27 0.00 -0.50 0.00 0.00 59.36 59.22 3kl8 h GLU 242 Cb 1.22 -0.02 0.03 0.00 -0.84 0.00 0.00 28.75 29.14 3kl8 h GLU 242 CO -0.44 0.06 -1.21 0.00 -1.40 0.00 0.00 179.01 176.02 3kl8 h ALA 243 N 1.54 -0.08 0.63 3.43 0.00 -1.25 -2.85 119.26 120.68 3kl8 h ALA 243 Ca 0.48 -0.84 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 3kl8 h ALA 243 Cb 1.73 0.20 0.01 0.00 0.00 0.00 0.00 17.79 19.73 3kl8 h ALA 243 CO -0.06 0.60 -0.30 0.87 0.00 0.00 0.00 179.25 180.35 3kl8 h LYS 244 N -0.13 -0.81 -0.97 0.00 1.57 -1.00 -2.47 116.57 112.77 3kl8 h LYS 244 Ca -0.22 0.06 0.30 0.00 -1.87 0.00 0.00 60.65 58.91 3kl8 h LYS 244 Cb 1.90 0.18 -0.15 0.00 0.08 0.00 0.00 32.23 34.25 3kl8 h LYS 244 CO 0.19 -0.53 0.48 1.03 -0.57 0.00 0.00 179.45 180.06 3kl8 h SER 245 N -0.88 0.38 -0.28 0.86 0.87 -0.69 0.77 113.55 114.59 3kl8 h SER 245 Ca -0.09 0.19 -0.09 0.00 -1.23 0.00 0.00 61.79 60.58 3kl8 h SER 245 Cb 0.66 0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 3kl8 h SER 245 CO 0.14 -0.14 -0.13 0.25 -0.53 0.00 0.00 176.83 176.42 3kl8 h LEU 246 N 0.30 0.68 -0.06 2.23 5.85 -1.25 -1.87 115.31 121.20 3kl8 h LEU 246 Ca 0.69 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 59.19 3kl8 h LEU 246 Cb 1.53 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.37 3kl8 h LEU 246 CO -0.62 0.84 -0.03 0.40 -0.34 0.00 0.00 178.44 178.68 3kl8 h ILE 247 N 0.63 1.34 -1.10 4.05 2.04 0.76 -2.80 117.51 122.43 3kl8 h ILE 247 Ca 0.11 -1.07 0.30 0.00 1.00 0.00 0.00 64.86 65.20 3kl8 h ILE 247 Cb 0.58 1.93 -0.10 0.00 -0.74 0.00 0.00 36.82 38.49 3kl8 h ILE 247 CO 0.04 0.29 0.70 0.44 0.00 0.00 0.00 178.15 179.62 3kl8 h ASP 248 N -0.27 0.41 1.06 1.72 3.32 -0.08 0.42 116.42 123.00 3kl8 h ASP 248 Ca 0.01 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3kl8 h ASP 248 Cb 0.48 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3kl8 h ASP 248 CO 0.01 0.02 -0.44 -1.54 -1.72 0.00 0.00 179.24 175.57 3kl8 n SER 249 N -4.67 0.75 -0.03 6.45 3.41 -0.72 -2.18 113.62 116.63 3kl8 n SER 249 Ca 0.28 0.26 -0.12 0.00 -0.26 0.00 0.00 58.87 59.03 3kl8 n SER 249 Cb 1.00 -0.14 -0.14 0.00 -0.26 0.00 0.00 64.21 64.67 3kl8 n SER 249 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3kl8 n MET 250 N -2.17 0.67 -0.72 4.33 2.81 0.43 -2.28 117.12 120.19 3kl8 n MET 250 Ca 0.04 0.24 -0.11 0.00 -1.81 0.00 0.00 57.70 56.05 3kl8 n MET 250 Cb 0.44 -1.72 0.13 0.00 -0.71 0.00 0.00 33.22 31.36 3kl8 n MET 250 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3kl8 n LEU 251 N -3.12 5.05 -4.67 4.03 4.77 0.12 -4.19 117.00 118.99 3kl8 n LEU 251 Ca -0.24 -2.65 -0.42 0.00 -0.03 0.00 0.00 56.01 52.66 3kl8 n LEU 251 Cb 1.06 -0.69 -0.03 0.00 -2.33 0.00 0.00 43.42 41.44 3kl8 n LEU 251 CO 0.43 0.78 1.22 -0.89 -1.33 0.00 0.00 177.39 177.60 3kl8 s THR 252 N -2.02 3.81 0.20 -5.08 2.01 -0.93 -4.93 115.64 108.70 3kl8 s THR 252 Ca 0.34 1.05 0.11 0.00 0.31 0.00 0.00 61.69 63.50 3kl8 s THR 252 Cb 0.29 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 3kl8 s THR 252 CO 0.07 -0.07 1.54 0.58 -0.69 0.00 0.00 174.62 176.06 3kl8 h VAL 253 N 5.37 1.39 -3.08 3.82 2.07 -1.89 -3.41 116.25 120.53 3kl8 h VAL 253 Ca -0.35 -2.35 -0.58 0.00 0.82 0.00 0.00 66.70 64.24 3kl8 h VAL 253 Cb 1.16 2.29 -0.10 0.00 -1.52 0.00 0.00 31.29 33.12 3kl8 h VAL 253 CO 0.95 0.65 0.79 0.21 0.02 0.00 0.00 177.57 180.19 3kl8 s ASN 254 N -6.73 6.36 0.23 0.57 2.47 -1.26 -4.72 114.94 111.85 3kl8 s ASN 254 Ca -0.00 -0.20 -0.12 0.00 0.42 0.00 0.00 52.86 52.96 3kl8 s ASN 254 Cb 0.11 -2.50 0.30 0.00 -1.45 0.00 0.00 41.25 37.71 3kl8 s ASN 254 CO 0.76 -1.41 1.61 -0.65 -3.72 0.00 0.00 177.10 173.70 3kl8 h PRO 255 N 9.50 0.01 -1.09 0.43 0.11 -1.95 0.44 132.00 139.44 3kl8 h PRO 255 Ca -0.26 -0.00 0.32 0.00 0.11 0.00 0.00 66.00 66.17 3kl8 h PRO 255 Cb 1.06 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.13 3kl8 h PRO 255 CO 1.16 0.00 0.78 0.87 -0.21 0.00 0.00 178.00 180.60 3kl8 h LYS 256 N 0.01 0.02 -0.16 1.05 1.79 -1.95 -1.43 116.57 115.89 3kl8 h LYS 256 Ca 0.35 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.82 3kl8 h LYS 256 Cb 0.54 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 3kl8 h LYS 256 CO -0.73 0.01 0.00 1.63 -1.08 0.00 0.00 179.45 179.29 3kl8 n LYS 257 N -4.23 2.82 -2.82 3.15 5.02 0.11 -4.96 118.16 117.25 3kl8 n LYS 257 Ca 0.23 -1.73 -0.42 0.00 -2.02 0.00 0.00 58.31 54.37 3kl8 n LYS 257 Cb 1.14 -1.13 -0.03 0.00 -0.02 0.00 0.00 35.03 34.99 3kl8 n LYS 257 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3kl8 s ARG 258 N -0.98 4.34 0.26 1.97 3.52 -0.54 -4.98 118.95 122.54 3kl8 s ARG 258 Ca 0.11 1.15 -0.26 0.00 -0.13 0.00 0.00 55.73 56.60 3kl8 s ARG 258 Cb 0.06 -3.56 -0.16 0.00 -1.56 0.00 0.00 34.95 29.72 3kl8 s ARG 258 CO 0.08 -0.32 0.43 1.51 -0.81 0.00 0.00 175.30 176.18 3kl8 n ILE 259 N 4.66 1.66 -2.61 4.11 3.06 -0.97 -4.99 119.36 124.28 3kl8 n ILE 259 Ca 0.06 -0.50 -0.22 0.00 -2.50 0.00 0.00 62.75 59.59 3kl8 n ILE 259 Cb 0.49 -0.05 0.05 0.00 0.54 0.00 0.00 39.64 40.67 3kl8 n ILE 259 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3kl8 s THR 260 N -1.18 2.54 0.05 9.51 -4.23 -1.26 -4.89 115.64 116.18 3kl8 s THR 260 Ca 0.63 -0.64 -0.27 0.00 -1.18 0.00 0.00 61.69 60.23 3kl8 s THR 260 Cb -0.84 -2.90 -0.17 0.00 1.34 0.00 0.00 72.50 69.92 3kl8 s THR 260 CO 0.58 0.00 1.47 0.00 -0.54 0.00 0.00 174.62 176.13 3kl8 h ALA 261 N -0.07 -0.48 0.00 3.99 0.00 -1.94 -1.74 119.26 119.03 3kl8 h ALA 261 Ca -0.41 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3kl8 h ALA 261 Cb 1.29 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3kl8 h ALA 261 CO 0.50 -0.69 0.00 -0.25 0.00 0.00 0.00 179.25 178.82 3kl8 n ASP 262 N -5.23 0.59 -0.00 0.00 8.00 -1.26 -1.69 116.55 116.96 3kl8 n ASP 262 Ca -0.10 0.75 -0.22 0.00 0.71 0.00 0.00 54.79 55.94 3kl8 n ASP 262 Cb 0.25 -0.84 -0.14 0.00 -0.02 0.00 0.00 41.12 40.37 3kl8 n ASP 262 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 3kl8 h GLN 263 N 0.00 0.25 -0.22 -1.24 4.20 -1.89 -3.36 115.11 112.85 3kl8 h GLN 263 Ca 0.00 -0.42 -0.01 0.00 0.06 0.00 0.00 58.65 58.28 3kl8 h GLN 263 Cb 0.06 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 3kl8 h GLN 263 CO 0.00 1.20 0.08 0.00 -0.67 0.00 0.00 178.83 179.44 3kl8 h ALA 264 N 0.01 1.73 0.00 3.87 0.00 -0.41 -1.31 119.26 123.15 3kl8 h ALA 264 Ca -0.41 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3kl8 h ALA 264 Cb 1.95 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.65 3kl8 h ALA 264 CO 0.06 0.22 0.00 1.28 0.00 0.00 0.00 179.25 180.81 3kl8 n LEU 265 N -4.44 0.12 -1.17 0.00 4.77 -0.84 -2.61 117.00 112.84 3kl8 n LEU 265 Ca 0.00 0.53 0.09 0.00 -0.03 0.00 0.00 56.01 56.59 3kl8 n LEU 265 Cb 0.13 -0.50 0.28 0.00 -2.33 0.00 0.00 43.42 40.99 3kl8 n LEU 265 CO 0.36 -0.25 0.74 0.29 -1.33 0.00 0.00 177.39 177.19 3kl8 n LYS 266 N -1.63 3.18 -3.03 3.23 5.02 -0.50 -4.61 118.16 119.83 3kl8 n LYS 266 Ca 0.04 -2.59 -0.36 0.00 -2.02 0.00 0.00 58.31 53.37 3kl8 n LYS 266 Cb 0.21 -1.64 -0.06 0.00 -0.02 0.00 0.00 35.03 33.52 3kl8 n LYS 266 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kl8 s VAL 267 N -1.56 4.49 0.22 -0.18 1.01 -1.07 -4.89 120.40 118.42 3kl8 s VAL 267 Ca 0.41 1.39 -0.09 0.00 0.00 0.00 0.00 61.98 63.70 3kl8 s VAL 267 Cb 0.25 -3.88 0.17 0.00 0.00 0.00 0.00 36.38 32.93 3kl8 s VAL 267 CO 0.22 0.18 1.87 -0.65 0.00 0.00 0.00 175.10 176.72 3kl8 h PRO 268 N 3.33 0.98 0.00 2.72 0.11 -1.91 0.52 132.00 137.74 3kl8 h PRO 268 Ca -0.48 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3kl8 h PRO 268 Cb 1.19 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3kl8 h PRO 268 CO 0.65 0.65 0.01 1.87 -0.21 0.00 0.00 178.00 180.97 3kl8 n TRP 269 N -4.58 0.00 -0.01 0.65 -0.00 -1.26 -1.46 117.44 110.78 3kl8 n TRP 269 Ca 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.58 3kl8 n TRP 269 Cb 0.06 -0.24 -0.01 0.00 -0.00 0.00 0.00 31.31 31.12 3kl8 n TRP 269 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 177.69 176.80 3kl8 n ILE 270 N -1.23 0.13 -0.84 5.87 2.08 0.66 -4.80 119.36 121.23 3kl8 n ILE 270 Ca 0.00 -0.08 -0.10 0.00 0.56 0.00 0.00 62.75 63.13 3kl8 n ILE 270 Cb 0.01 -0.93 -0.04 0.00 -0.75 0.00 0.00 39.64 37.94 3kl8 n ILE 270 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11