#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k8c s ILE 5 N 0.00 4.47 0.50 2.46 1.01 -1.26 -5.03 121.20 123.34 1k8c s ILE 5 Ca 0.00 1.12 -0.24 0.00 0.00 0.00 0.00 60.65 61.53 1k8c s ILE 5 Cb 0.00 -4.43 -0.07 0.00 0.01 0.00 0.00 42.46 37.98 1k8c s ILE 5 CO 0.00 -0.72 1.39 -2.84 0.00 0.00 0.00 174.94 172.77 1k8c s PRO 6 N 3.77 3.43 0.13 2.79 0.02 -1.26 -4.76 135.00 139.12 1k8c s PRO 6 Ca 0.40 2.31 0.01 0.00 0.02 0.00 0.00 61.00 63.74 1k8c s PRO 6 Cb -0.10 -2.46 -0.04 0.00 0.02 0.00 0.00 34.50 31.91 1k8c s PRO 6 CO 0.23 -0.98 0.28 -0.51 -0.33 0.00 0.00 177.00 175.69 1k8c s ASP 7 N -0.74 6.37 -0.05 2.53 1.01 -1.26 -0.71 116.67 123.81 1k8c s ASP 7 Ca 0.66 0.27 0.03 0.00 0.71 0.00 0.00 52.55 54.22 1k8c s ASP 7 Cb -0.42 -1.96 -0.03 0.00 1.01 0.00 0.00 42.92 41.53 1k8c s ASP 7 CO 0.52 0.08 -0.12 -0.63 0.21 0.00 0.00 175.17 175.23 1k8c s ILE 8 N -1.67 3.28 -0.33 0.77 1.01 0.45 -4.85 121.20 119.86 1k8c s ILE 8 Ca 0.36 -0.67 -0.22 0.00 0.00 0.00 0.00 60.65 60.11 1k8c s ILE 8 Cb -0.12 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 40.04 1k8c s ILE 8 CO 0.28 0.57 0.73 -0.54 0.00 0.00 0.00 174.94 175.98 1k8c s LYS 9 N -0.83 3.84 0.48 2.79 1.02 -1.26 -0.99 119.74 124.79 1k8c s LYS 9 Ca 0.12 0.37 -0.14 0.00 0.02 0.00 0.00 55.97 56.34 1k8c s LYS 9 Cb -0.11 -3.76 -0.07 0.00 -0.52 0.00 0.00 37.83 33.37 1k8c s LYS 9 CO 0.01 -0.72 0.91 -0.51 -0.92 0.00 0.00 175.35 174.12 1k8c s LEU 10 N 2.90 3.68 0.55 3.17 1.43 -0.11 -4.94 118.68 125.36 1k8c s LEU 10 Ca 0.29 1.40 0.37 0.00 -1.03 0.00 0.00 54.13 55.16 1k8c s LEU 10 Cb -0.14 -4.32 1.99 0.00 0.03 0.00 0.00 46.19 43.75 1k8c s LEU 10 CO 0.14 -0.53 2.13 0.77 0.23 0.00 0.00 176.35 179.09 1k8c h SER 11 N 0.99 0.00 1.15 2.29 4.64 -1.82 -0.81 113.55 119.99 1k8c h SER 11 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1k8c h SER 11 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1k8c h SER 11 CO 0.62 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.04 1k8c n SER 12 N -2.80 0.42 0.00 4.97 3.41 -1.26 -4.90 113.62 113.45 1k8c n SER 12 Ca -0.02 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 1k8c n SER 12 Cb 0.07 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 1k8c n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k8c n GLY 13 N 1.17 0.88 3.39 5.00 0.00 -0.31 -5.03 105.19 110.29 1k8c n GLY 13 Ca 0.06 -0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 1k8c n GLY 13 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1k8c s HIS 14 N -2.00 2.25 0.23 1.61 3.76 -1.25 -4.95 115.29 114.94 1k8c s HIS 14 Ca 0.00 -0.38 -0.14 0.00 -0.15 0.00 0.00 55.06 54.39 1k8c s HIS 14 Cb 0.00 -1.17 -0.08 0.00 1.11 0.00 0.00 32.58 32.44 1k8c s HIS 14 CO 0.00 0.40 0.63 -0.51 -0.85 0.00 0.00 174.74 174.41 1k8c s LEU 15 N -2.35 4.21 -0.05 0.89 1.43 -1.26 -0.93 118.68 120.62 1k8c s LEU 15 Ca 0.17 1.14 -0.00 0.00 -1.03 0.00 0.00 54.13 54.40 1k8c s LEU 15 Cb -0.09 -3.68 0.03 0.00 0.03 0.00 0.00 46.19 42.48 1k8c s LEU 15 CO 0.08 -0.05 -0.01 -0.32 0.23 0.00 0.00 176.35 176.28 1k8c s MET 16 N -2.52 0.55 0.30 1.70 1.75 -0.16 -4.92 119.30 115.99 1k8c s MET 16 Ca 0.46 0.07 -0.29 0.00 -1.25 0.00 0.00 55.69 54.68 1k8c s MET 16 Cb -0.13 -0.80 -0.13 0.00 2.84 0.00 0.00 34.83 36.62 1k8c s MET 16 CO 0.20 -0.21 1.30 -2.30 -0.65 0.00 0.00 175.02 173.35 1k8c n PRO 17 N 4.66 1.99 0.07 4.11 -0.02 -1.26 -0.41 135.00 144.14 1k8c n PRO 17 Ca -0.16 0.70 0.13 0.00 -2.02 0.00 0.00 63.50 62.15 1k8c n PRO 17 Cb 0.50 -2.28 0.47 0.00 -0.02 0.00 0.00 33.50 32.17 1k8c n PRO 17 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1k8c n SER 18 N 1.34 0.51 -3.95 2.55 3.41 0.11 -4.62 113.62 112.96 1k8c n SER 18 Ca 0.08 0.57 -0.24 0.00 -0.26 0.00 0.00 58.87 59.01 1k8c n SER 18 Cb 0.34 -0.69 -0.17 0.00 -0.26 0.00 0.00 64.21 63.43 1k8c n SER 18 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1k8c s ILE 19 N -3.10 0.94 0.29 -1.33 1.01 -1.26 -0.89 121.20 116.87 1k8c s ILE 19 Ca 0.10 -0.33 0.04 0.00 0.00 0.00 0.00 60.65 60.47 1k8c s ILE 19 Cb 0.13 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.67 1k8c s ILE 19 CO 0.51 0.32 0.16 0.61 0.00 0.00 0.00 174.94 176.55 1k8c n GLY 20 N 4.20 3.31 3.35 6.18 0.00 0.48 -4.53 105.19 118.18 1k8c n GLY 20 Ca -0.20 -1.98 -0.36 0.00 0.00 0.00 0.00 46.02 43.48 1k8c n GLY 20 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1k8c s PHE 21 N -2.88 3.07 0.31 1.61 5.36 0.06 -3.47 117.98 122.04 1k8c s PHE 21 Ca 0.22 -0.85 -0.28 0.00 -0.96 0.00 0.00 56.93 55.06 1k8c s PHE 21 Cb 0.01 -2.20 -0.09 0.00 -0.34 0.00 0.00 43.02 40.40 1k8c s PHE 21 CO 0.16 -0.52 1.11 0.20 -1.46 0.00 0.00 175.22 174.71 1k8c s GLY 22 N 1.52 3.01 0.00 13.12 0.00 -0.72 -1.32 107.32 122.93 1k8c s GLY 22 Ca 0.04 0.90 0.05 0.00 0.00 0.00 0.00 44.72 45.72 1k8c s GLY 22 CO 0.01 1.48 0.89 0.00 0.00 0.00 0.00 173.10 175.48 1k8c s TRP 24 N -0.71 3.17 -0.78 0.00 -0.00 -1.26 -2.87 118.94 116.48 1k8c s TRP 24 Ca 0.08 1.08 -0.02 0.00 -0.00 0.00 0.00 56.10 57.25 1k8c s TRP 24 Cb 0.05 -3.53 0.00 0.00 -0.00 0.00 0.00 33.47 29.99 1k8c s TRP 24 CO 0.07 -1.79 0.21 1.63 -0.00 0.00 0.00 176.95 177.06 1k8c n LYS 25 N 4.68 -1.91 -3.25 5.86 5.02 -1.26 -4.98 118.16 122.32 1k8c n LYS 25 Ca 0.11 0.45 -0.44 0.00 -2.02 0.00 0.00 58.31 56.42 1k8c n LYS 25 Cb 0.45 -4.39 -0.07 0.00 -0.02 0.00 0.00 35.03 31.00 1k8c n LYS 25 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1k8c s LEU 26 N -3.31 5.06 0.09 -0.35 2.96 -1.14 -5.02 118.68 116.98 1k8c s LEU 26 Ca 0.10 -0.92 -0.36 0.00 -0.22 0.00 0.00 54.13 52.74 1k8c s LEU 26 Cb -0.05 -2.39 -0.15 0.00 0.50 0.00 0.00 46.19 44.10 1k8c s LEU 26 CO 0.13 -0.76 1.46 0.00 -1.32 0.00 0.00 176.35 175.87 1k8c n ALA 27 N 5.82 -0.04 -0.32 5.97 0.00 -1.26 -4.69 120.51 125.99 1k8c n ALA 27 Ca -0.08 0.48 0.25 0.00 0.00 0.00 0.00 53.44 54.09 1k8c n ALA 27 Cb 0.46 -2.20 0.55 0.00 0.00 0.00 0.00 19.45 18.26 1k8c n ALA 27 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1k8c h ASN 28 N 5.33 0.37 -0.29 0.00 4.21 -1.95 0.21 115.58 123.46 1k8c h ASN 28 Ca -0.47 0.07 -0.09 0.00 1.21 0.00 0.00 56.30 57.03 1k8c h ASN 28 Cb 1.30 0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 38.50 1k8c h ASN 28 CO 0.83 0.06 -0.12 0.00 -1.29 0.00 0.00 177.43 176.91 1k8c h ALA 29 N 1.59 1.06 -0.01 -0.83 0.00 -2.02 -3.29 119.26 115.76 1k8c h ALA 29 Ca 0.60 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1k8c h ALA 29 Cb 1.66 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1k8c h ALA 29 CO -0.26 0.58 -0.05 0.25 0.00 0.00 0.00 179.25 179.77 1k8c n THR 30 N -4.17 0.00 -0.09 0.00 -2.24 -0.58 -4.73 114.28 102.46 1k8c n THR 30 Ca 0.01 -0.48 -0.08 0.00 -2.27 0.00 0.00 64.05 61.23 1k8c n THR 30 Cb 0.36 1.14 -0.01 0.00 -2.10 0.00 0.00 70.33 69.72 1k8c n THR 30 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k8c h ALA 31 N 1.47 0.40 -0.31 6.98 0.00 -0.71 -0.52 119.26 126.58 1k8c h ALA 31 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1k8c h ALA 31 Cb 0.31 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1k8c h ALA 31 CO 0.00 -0.16 -0.05 0.78 0.00 0.00 0.00 179.25 179.82 1k8c h GLY 32 N 0.40 0.26 1.07 0.00 0.00 -1.78 0.12 103.07 103.13 1k8c h GLY 32 Ca 0.12 0.08 -0.07 0.00 0.00 0.00 0.00 47.33 47.46 1k8c h GLY 32 CO -0.05 -0.10 0.14 -2.09 0.00 0.00 0.00 176.54 174.44 1k8c h GLU 33 N 0.04 1.13 -0.07 4.80 4.57 -1.84 -1.77 114.58 121.43 1k8c h GLU 33 Ca 0.15 -0.29 -0.15 0.00 -1.18 0.00 0.00 59.36 57.90 1k8c h GLU 33 Cb 0.22 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1k8c h GLU 33 CO -0.29 1.01 -0.60 0.37 -1.18 0.00 0.00 179.01 178.32 1k8c h GLN 34 N 1.06 0.25 -0.28 1.92 5.75 -0.54 -0.63 115.11 122.64 1k8c h GLN 34 Ca 0.22 -0.17 -0.04 0.00 -0.15 0.00 0.00 58.65 58.51 1k8c h GLN 34 Cb 0.41 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.97 1k8c h GLN 34 CO 0.01 0.77 0.04 0.28 -2.65 0.00 0.00 178.83 177.28 1k8c h VAL 35 N 0.19 1.24 -0.49 2.39 2.07 -0.59 -0.08 116.25 120.96 1k8c h VAL 35 Ca -0.01 -0.82 0.02 0.00 0.82 0.00 0.00 66.70 66.71 1k8c h VAL 35 Cb 1.10 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 1k8c h VAL 35 CO 0.09 0.26 0.30 0.22 0.02 0.00 0.00 177.57 178.47 1k8c h TYR 36 N 0.28 0.57 -0.35 1.57 3.20 -1.19 -0.41 116.97 120.64 1k8c h TYR 36 Ca 0.08 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 1k8c h TYR 36 Cb 0.35 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1k8c h TYR 36 CO 0.02 0.34 -0.05 1.96 -1.64 0.00 0.00 178.16 178.80 1k8c h GLN 37 N 0.61 0.58 -0.57 1.82 1.08 -0.89 -1.54 115.11 116.20 1k8c h GLN 37 Ca 0.19 -0.15 -0.04 0.00 -1.45 0.00 0.00 58.65 57.20 1k8c h GLN 37 Cb -0.01 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.32 1k8c h GLN 37 CO -0.07 0.64 0.19 0.00 -0.95 0.00 0.00 178.83 178.64 1k8c h ALA 38 N 1.41 0.75 -0.77 3.87 0.00 -0.25 0.24 119.26 124.52 1k8c h ALA 38 Ca 0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1k8c h ALA 38 Cb 0.42 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1k8c h ALA 38 CO 0.02 0.40 0.33 0.82 0.00 0.00 0.00 179.25 180.83 1k8c h ILE 39 N 0.80 1.25 -0.28 0.00 2.04 -0.61 -0.88 117.51 119.84 1k8c h ILE 39 Ca 0.19 -0.76 -0.05 0.00 1.00 0.00 0.00 64.86 65.24 1k8c h ILE 39 Cb 0.26 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1k8c h ILE 39 CO -0.01 0.31 -0.06 0.11 0.00 0.00 0.00 178.15 178.50 1k8c h LYS 40 N 1.10 0.45 0.00 2.37 1.57 -0.84 -1.12 116.57 120.09 1k8c h LYS 40 Ca 0.26 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1k8c h LYS 40 Cb 0.17 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1k8c h LYS 40 CO -0.03 0.52 0.00 0.00 -0.57 0.00 0.00 179.45 179.38 1k8c n ALA 41 N -2.48 2.44 -0.08 3.86 0.00 0.03 -4.86 120.51 119.42 1k8c n ALA 41 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1k8c n ALA 41 Cb 0.27 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1k8c n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k8c n GLY 42 N 0.53 0.50 3.76 0.00 0.00 -0.42 -4.85 105.19 104.70 1k8c n GLY 42 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1k8c n GLY 42 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k8c s TYR 43 N -2.20 3.46 0.00 1.61 1.51 -0.45 -4.93 117.35 116.35 1k8c s TYR 43 Ca 0.00 1.64 0.00 0.00 -1.01 0.00 0.00 57.07 57.70 1k8c s TYR 43 Cb 0.00 -3.37 0.00 0.00 -0.11 0.00 0.00 41.96 38.48 1k8c s TYR 43 CO 0.00 -0.84 0.00 0.54 -1.11 0.00 0.00 175.55 174.14 1k8c n ARG 44 N 1.09 3.34 -3.71 -0.62 5.12 -1.26 -4.23 116.66 116.40 1k8c n ARG 44 Ca -0.01 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.54 1k8c n ARG 44 Cb 0.44 -0.94 -0.06 0.00 -1.16 0.00 0.00 32.46 30.74 1k8c n ARG 44 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1k8c s LEU 45 N -3.57 4.38 -0.14 0.55 0.20 -1.26 -1.47 118.68 117.37 1k8c s LEU 45 Ca 0.00 0.61 0.00 0.00 0.69 0.00 0.00 54.13 55.43 1k8c s LEU 45 Cb 0.00 -2.26 0.02 0.00 -0.43 0.00 0.00 46.19 43.52 1k8c s LEU 45 CO 0.00 0.33 -0.12 -0.36 -0.29 0.00 0.00 176.35 175.91 1k8c s PHE 46 N -0.75 1.94 -0.53 5.38 0.40 -0.56 -0.76 117.98 123.10 1k8c s PHE 46 Ca 0.17 -1.07 -0.19 0.00 -0.60 0.00 0.00 56.93 55.25 1k8c s PHE 46 Cb -0.13 -1.48 0.07 0.00 0.51 0.00 0.00 43.02 41.99 1k8c s PHE 46 CO 0.06 -0.62 0.65 0.34 0.70 0.00 0.00 175.22 176.35 1k8c s ASP 47 N 1.56 6.21 0.00 1.36 2.15 -0.43 -1.59 116.67 125.93 1k8c s ASP 47 Ca 0.05 -1.09 0.00 0.00 0.43 0.00 0.00 52.55 51.94 1k8c s ASP 47 Cb -0.13 -2.29 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1k8c s ASP 47 CO -0.10 -0.96 0.00 0.61 -0.17 0.00 0.00 175.17 174.55 1k8c n GLY 48 N 5.21 4.49 3.61 2.66 0.00 0.03 -1.67 105.19 119.52 1k8c n GLY 48 Ca -0.08 -2.18 -0.06 0.00 0.00 0.00 0.00 46.02 43.70 1k8c n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k8c s ALA 49 N -2.00 -2.04 0.30 4.61 0.00 -1.26 -3.74 121.76 117.63 1k8c s ALA 49 Ca 0.00 1.76 -0.00 0.00 0.00 0.00 0.00 51.96 53.72 1k8c s ALA 49 Cb 0.00 -1.15 0.50 0.00 0.00 0.00 0.00 23.12 22.47 1k8c s ALA 49 CO 0.00 -0.28 1.92 0.93 0.00 0.00 0.00 175.76 178.33 1k8c h GLU 50 N 2.27 1.04 0.00 0.00 5.08 -1.93 -1.79 114.58 119.25 1k8c h GLU 50 Ca -0.12 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1k8c h GLU 50 Cb 1.18 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 1k8c h GLU 50 CO 0.26 0.69 -0.02 0.22 -1.00 0.00 0.00 179.01 179.16 1k8c h ASP 51 N 1.07 0.00 1.14 1.42 3.58 -1.96 -2.65 116.42 119.02 1k8c h ASP 51 Ca 0.38 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.83 1k8c h ASP 51 Cb 0.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.20 1k8c h ASP 51 CO -0.14 0.02 0.00 1.88 -2.88 0.00 0.00 179.24 178.12 1k8c h TYR 52 N 0.00 0.00 -0.29 0.28 0.05 -1.71 -3.47 116.97 111.82 1k8c h TYR 52 Ca -0.00 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.65 1k8c h TYR 52 Cb 0.30 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.99 1k8c h TYR 52 CO 0.00 0.00 -0.11 0.41 -1.05 0.00 0.00 178.16 177.41 1k8c n GLY 53 N 0.22 0.72 0.53 3.88 0.00 -1.00 -4.80 105.19 104.75 1k8c n GLY 53 Ca 0.01 -0.13 0.05 0.00 0.00 0.00 0.00 46.02 45.95 1k8c n GLY 53 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k8c n ASN 54 N -0.58 1.36 0.04 1.61 0.23 -1.26 -4.81 115.26 111.84 1k8c n ASN 54 Ca -0.06 -2.79 0.02 0.00 -0.53 0.00 0.00 54.58 51.22 1k8c n ASN 54 Cb 0.41 -0.37 0.37 0.00 -2.08 0.00 0.00 39.78 38.11 1k8c n ASN 54 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1k8c h GLU 55 N 0.38 0.45 -0.73 -3.83 5.08 -1.89 -0.73 114.58 113.31 1k8c h GLU 55 Ca -0.04 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 1k8c h GLU 55 Cb 1.26 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 1k8c h GLU 55 CO 0.02 0.43 0.27 0.87 -1.00 0.00 0.00 179.01 179.59 1k8c h LYS 56 N 0.44 1.11 -0.35 2.33 1.57 -1.88 0.20 116.57 119.99 1k8c h LYS 56 Ca 0.10 -0.22 -0.17 0.00 -1.87 0.00 0.00 60.65 58.50 1k8c h LYS 56 Cb 0.19 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1k8c h LYS 56 CO -0.00 0.92 -0.46 0.93 -0.57 0.00 0.00 179.45 180.28 1k8c h GLU 57 N 1.06 0.92 -0.52 3.15 3.07 -1.68 -0.01 114.58 120.58 1k8c h GLU 57 Ca 0.24 -0.53 0.02 0.00 -0.50 0.00 0.00 59.36 58.60 1k8c h GLU 57 Cb 0.25 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.16 1k8c h GLU 57 CO -0.02 1.18 0.31 0.28 -1.40 0.00 0.00 179.01 179.36 1k8c h VAL 58 N 0.73 1.06 -0.85 3.13 2.07 -0.85 -0.86 116.25 120.69 1k8c h VAL 58 Ca 0.04 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.36 1k8c h VAL 58 Cb 1.06 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 1k8c h VAL 58 CO 0.11 0.11 0.56 1.23 0.02 0.00 0.00 177.57 179.60 1k8c h GLY 59 N 0.62 1.20 0.99 2.17 0.00 -0.32 -1.93 103.07 105.79 1k8c h GLY 59 Ca 0.21 -0.44 0.01 0.00 0.00 0.00 0.00 47.33 47.11 1k8c h GLY 59 CO -0.09 0.42 0.45 -0.55 0.00 0.00 0.00 176.54 176.78 1k8c h ASP 60 N 1.13 0.78 -0.52 0.19 3.32 -0.14 0.83 116.42 122.01 1k8c h ASP 60 Ca 0.31 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.32 1k8c h ASP 60 Cb -0.11 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 1k8c h ASP 60 CO -0.08 0.56 0.21 1.23 -1.72 0.00 0.00 179.24 179.45 1k8c h GLY 61 N 0.92 0.84 0.95 2.75 0.00 -0.79 -0.88 103.07 106.86 1k8c h GLY 61 Ca 0.26 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 47.04 1k8c h GLY 61 CO -0.06 0.43 -0.17 -2.08 0.00 0.00 0.00 176.54 174.65 1k8c h VAL 62 N 0.71 1.29 -0.37 4.60 2.07 -1.02 -2.62 116.25 120.90 1k8c h VAL 62 Ca 0.17 -1.29 -0.03 0.00 0.82 0.00 0.00 66.70 66.37 1k8c h VAL 62 Cb 0.19 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1k8c h VAL 62 CO -0.01 0.42 0.08 0.50 0.02 0.00 0.00 177.57 178.58 1k8c h LYS 63 N 0.45 0.54 -0.19 1.57 3.64 -0.72 -0.89 116.57 120.97 1k8c h LYS 63 Ca 0.07 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1k8c h LYS 63 Cb 0.71 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 1k8c h LYS 63 CO 0.05 0.50 -0.02 -0.09 -2.27 0.00 0.00 179.45 177.62 1k8c h ARG 64 N 0.53 0.36 -0.73 1.90 2.43 -1.04 0.13 114.38 117.96 1k8c h ARG 64 Ca 0.12 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1k8c h ARG 64 Cb 0.21 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 1k8c h ARG 64 CO -0.00 0.59 0.43 0.00 -1.51 0.00 0.00 179.97 179.47 1k8c h ALA 65 N 0.76 1.39 -0.20 2.80 0.00 -1.06 -0.88 119.26 122.07 1k8c h ALA 65 Ca 0.05 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1k8c h ALA 65 Cb 0.44 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1k8c h ALA 65 CO 0.01 0.52 -0.43 0.82 0.00 0.00 0.00 179.25 180.17 1k8c h ILE 66 N 1.00 1.32 0.00 0.00 2.04 -0.99 -1.28 117.51 119.60 1k8c h ILE 66 Ca 0.26 -1.66 -0.04 0.00 1.00 0.00 0.00 64.86 64.42 1k8c h ILE 66 Cb -0.03 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1k8c h ILE 66 CO -0.05 0.52 -0.18 0.44 0.00 0.00 0.00 178.15 178.88 1k8c h ASP 67 N 0.34 0.00 0.83 1.72 3.32 -0.33 -1.53 116.42 120.78 1k8c h ASP 67 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1k8c h ASP 67 Cb 1.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.59 1k8c h ASP 67 CO 0.10 0.18 -0.20 -0.62 -1.72 0.00 0.00 179.24 176.98 1k8c n GLU 68 N -3.89 0.02 -0.71 3.56 1.02 -0.37 -4.93 120.64 115.34 1k8c n GLU 68 Ca -0.02 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1k8c n GLU 68 Cb 0.27 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 1k8c n GLU 68 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k8c n GLY 69 N 1.49 0.63 0.20 0.62 0.00 -0.58 -4.94 105.19 102.60 1k8c n GLY 69 Ca 0.06 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 1k8c n GLY 69 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1k8c h LEU 70 N 0.00 0.56 -7.70 0.99 3.38 -1.47 -3.47 115.31 107.59 1k8c h LEU 70 Ca 0.00 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 1k8c h LEU 70 Cb 0.00 -0.16 -0.13 0.00 0.09 0.00 0.00 40.66 40.46 1k8c h LEU 70 CO 0.00 1.04 -0.20 0.68 0.09 0.00 0.00 178.44 180.05 1k8c s VAL 71 N -3.84 0.09 0.19 1.22 -7.23 -1.21 -5.03 120.40 104.59 1k8c s VAL 71 Ca -0.07 -0.96 0.06 0.00 -1.81 0.00 0.00 61.98 59.21 1k8c s VAL 71 Cb 0.11 -1.42 -0.04 0.00 0.56 0.00 0.00 36.38 35.60 1k8c s VAL 71 CO 0.84 -0.39 0.10 -0.54 -0.31 0.00 0.00 175.10 174.80 1k8c s LYS 72 N -3.86 2.73 0.26 4.82 1.02 -1.26 -4.06 119.74 119.40 1k8c s LYS 72 Ca 0.07 -1.01 -0.02 0.00 0.02 0.00 0.00 55.97 55.03 1k8c s LYS 72 Cb 0.03 -2.52 0.57 0.00 -0.52 0.00 0.00 37.83 35.39 1k8c s LYS 72 CO -0.08 0.45 1.68 -0.09 -0.92 0.00 0.00 175.35 176.39 1k8c h ARG 73 N 2.24 0.29 0.00 1.68 9.65 -1.96 0.58 114.38 126.86 1k8c h ARG 73 Ca -0.47 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 1k8c h ARG 73 Cb 1.21 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.73 1k8c h ARG 73 CO 0.61 0.19 0.00 0.39 2.80 0.00 0.00 179.97 183.96 1k8c n GLU 74 N -5.14 0.06 0.00 0.20 4.71 -1.26 -1.53 120.64 117.68 1k8c n GLU 74 Ca 0.17 0.45 0.12 0.00 -0.01 0.00 0.00 57.16 57.89 1k8c n GLU 74 Cb 0.54 -1.65 0.22 0.00 -1.01 0.00 0.00 31.44 29.54 1k8c n GLU 74 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1k8c n GLU 75 N -1.76 1.02 -4.44 3.49 1.02 0.19 -4.86 120.64 115.30 1k8c n GLU 75 Ca 0.01 -0.72 -0.34 0.00 -0.02 0.00 0.00 57.16 56.09 1k8c n GLU 75 Cb 0.09 -1.49 -0.12 0.00 -0.02 0.00 0.00 31.44 29.91 1k8c n GLU 75 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1k8c s ILE 76 N -2.48 3.90 -0.36 -3.67 -1.09 -0.58 -4.86 121.20 112.07 1k8c s ILE 76 Ca 0.22 -0.37 -0.11 0.00 -2.23 0.00 0.00 60.65 58.16 1k8c s ILE 76 Cb 0.19 -2.68 0.01 0.00 -1.58 0.00 0.00 42.46 38.40 1k8c s ILE 76 CO 0.54 0.53 0.20 0.12 -1.23 0.00 0.00 174.94 175.10 1k8c s PHE 77 N -0.01 3.22 -0.27 3.97 2.19 -0.54 -4.94 117.98 121.60 1k8c s PHE 77 Ca 0.01 -0.74 -0.09 0.00 0.33 0.00 0.00 56.93 56.44 1k8c s PHE 77 Cb -0.13 -2.43 -0.03 0.00 -1.31 0.00 0.00 43.02 39.11 1k8c s PHE 77 CO 0.03 -0.56 0.12 -0.51 1.83 0.00 0.00 175.22 176.13 1k8c s LEU 78 N 1.60 3.71 -0.12 6.12 1.43 -1.26 -1.49 118.68 128.67 1k8c s LEU 78 Ca 0.03 -0.19 -0.04 0.00 -1.03 0.00 0.00 54.13 52.90 1k8c s LEU 78 Cb -0.18 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 1k8c s LEU 78 CO 0.07 -0.06 0.02 -0.89 0.23 0.00 0.00 176.35 175.72 1k8c s THR 79 N 1.66 4.47 0.28 5.49 2.01 -0.62 -1.18 115.64 127.75 1k8c s THR 79 Ca 0.06 -0.17 0.03 0.00 0.31 0.00 0.00 61.69 61.92 1k8c s THR 79 Cb -0.16 -2.93 -0.04 0.00 0.01 0.00 0.00 72.50 69.38 1k8c s THR 79 CO 0.06 0.55 0.17 -0.55 -0.69 0.00 0.00 174.62 174.16 1k8c s SER 80 N -0.39 1.20 -0.01 3.53 0.15 -0.19 -0.79 113.70 117.20 1k8c s SER 80 Ca 0.08 -1.54 0.01 0.00 0.70 0.00 0.00 55.95 55.20 1k8c s SER 80 Cb -0.12 0.40 0.01 0.00 -1.71 0.00 0.00 66.02 64.59 1k8c s SER 80 CO 0.02 -0.89 -0.01 -0.54 1.20 0.00 0.00 173.24 173.01 1k8c s LYS 81 N -3.85 0.18 -0.24 5.44 1.02 -1.24 -1.63 119.74 119.41 1k8c s LYS 81 Ca 0.37 -0.03 -0.29 0.00 0.02 0.00 0.00 55.97 56.04 1k8c s LYS 81 Cb 0.05 -0.22 -0.00 0.00 -0.52 0.00 0.00 37.83 37.14 1k8c s LYS 81 CO 0.18 -0.00 1.24 -1.17 -0.92 0.00 0.00 175.35 174.67 1k8c s LEU 82 N 0.22 4.03 0.65 3.17 2.96 0.84 -3.13 118.68 127.42 1k8c s LEU 82 Ca -0.02 1.41 -0.13 0.00 -0.22 0.00 0.00 54.13 55.17 1k8c s LEU 82 Cb -0.04 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.10 1k8c s LEU 82 CO -0.01 -0.89 1.06 0.86 -1.32 0.00 0.00 176.35 176.06 1k8c s TRP 83 N 3.83 3.02 0.46 5.38 -0.11 -1.26 -2.03 118.94 128.22 1k8c s TRP 83 Ca 0.53 1.47 0.26 0.00 1.22 0.00 0.00 56.10 59.59 1k8c s TRP 83 Cb -0.18 -2.95 1.31 0.00 -1.50 0.00 0.00 33.47 30.14 1k8c s TRP 83 CO 0.17 -1.21 1.78 -0.91 -4.62 0.00 0.00 176.95 172.16 1k8c h ASN 84 N -0.16 0.25 0.44 5.86 2.35 -1.89 -1.34 115.58 121.09 1k8c h ASN 84 Ca -0.45 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 1k8c h ASN 84 Cb 1.22 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.60 1k8c h ASN 84 CO 0.57 0.03 0.00 0.59 -1.65 0.00 0.00 177.43 176.97 1k8c n ASN 85 N -4.45 0.00 -1.21 5.81 4.13 -1.26 -0.58 115.26 117.70 1k8c n ASN 85 Ca 0.26 -0.06 -0.06 0.00 1.68 0.00 0.00 54.58 56.40 1k8c n ASN 85 Cb 1.05 -0.28 0.17 0.00 -1.54 0.00 0.00 39.78 39.18 1k8c n ASN 85 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1k8c n TYR 86 N -1.28 1.16 0.11 3.10 4.01 -0.50 -3.77 117.16 119.98 1k8c n TYR 86 Ca 0.11 -1.75 -0.02 0.00 -0.16 0.00 0.00 57.90 56.08 1k8c n TYR 86 Cb 0.19 -0.45 0.03 0.00 -0.31 0.00 0.00 39.34 38.80 1k8c n TYR 86 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1k8c h HIS 87 N 1.23 0.00 -2.51 -0.72 3.86 -1.75 -3.29 115.15 111.96 1k8c h HIS 87 Ca 0.21 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.89 1k8c h HIS 87 Cb 1.43 0.00 0.04 0.00 1.06 0.00 0.00 27.41 29.94 1k8c h HIS 87 CO 0.96 0.74 1.13 0.34 0.86 0.00 0.00 177.93 181.96 1k8c s ASP 88 N -6.66 6.41 0.37 2.45 -1.08 -1.26 -4.24 116.67 112.65 1k8c s ASP 88 Ca 0.01 2.78 0.19 0.00 -0.52 0.00 0.00 52.55 55.01 1k8c s ASP 88 Cb 0.10 -2.57 1.23 0.00 -1.46 0.00 0.00 42.92 40.23 1k8c s ASP 88 CO 0.78 -1.02 1.63 -0.65 0.52 0.00 0.00 175.17 176.43 1k8c h PRO 89 N 8.70 0.18 0.00 4.34 0.11 -1.86 0.36 132.00 143.82 1k8c h PRO 89 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1k8c h PRO 89 Cb 1.22 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1k8c h PRO 89 CO 0.95 0.12 0.00 0.36 -0.21 0.00 0.00 178.00 179.22 1k8c n LYS 90 N -5.05 0.11 -0.00 1.05 2.85 -1.26 -2.69 118.16 113.16 1k8c n LYS 90 Ca 0.35 0.38 0.05 0.00 -1.05 0.00 0.00 58.31 58.03 1k8c n LYS 90 Cb 1.15 -1.72 -0.06 0.00 -0.65 0.00 0.00 35.03 33.76 1k8c n LYS 90 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1k8c n ASN 91 N -1.92 0.74 0.01 -5.58 5.03 0.12 -4.68 115.26 109.00 1k8c n ASN 91 Ca 0.02 -0.64 -0.10 0.00 0.87 0.00 0.00 54.58 54.73 1k8c n ASN 91 Cb 0.18 1.06 -0.05 0.00 -1.02 0.00 0.00 39.78 39.94 1k8c n ASN 91 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1k8c h VAL 92 N 0.00 0.86 -0.24 2.41 2.07 -1.26 -2.18 116.25 117.91 1k8c h VAL 92 Ca 0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 1k8c h VAL 92 Cb 0.26 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1k8c h VAL 92 CO 0.00 0.00 -0.15 -0.08 0.02 0.00 0.00 177.57 177.36 1k8c h GLU 93 N -0.04 0.41 -0.41 1.57 4.81 -1.84 -1.63 114.58 117.45 1k8c h GLU 93 Ca 0.04 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1k8c h GLU 93 Cb 0.11 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1k8c h GLU 93 CO -0.10 0.56 0.25 1.15 -0.73 0.00 0.00 179.01 180.14 1k8c h THR 94 N 0.38 1.13 -0.57 0.32 2.02 -1.76 0.28 112.91 114.71 1k8c h THR 94 Ca 0.07 -0.31 -0.09 0.00 0.77 0.00 0.00 66.41 66.85 1k8c h THR 94 Cb 0.50 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1k8c h THR 94 CO 0.03 0.14 0.01 0.00 0.37 0.00 0.00 175.52 176.07 1k8c h ALA 95 N 1.11 0.94 -0.57 6.16 0.00 -0.98 -1.64 119.26 124.28 1k8c h ALA 95 Ca 0.15 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1k8c h ALA 95 Cb 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1k8c h ALA 95 CO -0.03 0.64 -0.01 1.25 0.00 0.00 0.00 179.25 181.11 1k8c h LEU 96 N 0.90 0.96 -0.89 0.00 5.85 -0.95 -2.16 115.31 119.03 1k8c h LEU 96 Ca 0.17 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 1k8c h LEU 96 Cb 0.51 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1k8c h LEU 96 CO 0.03 1.02 0.43 0.78 -0.34 0.00 0.00 178.44 180.35 1k8c h ASN 97 N 0.90 1.11 -0.43 1.25 2.35 0.05 0.99 115.58 121.81 1k8c h ASN 97 Ca 0.16 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1k8c h ASN 97 Cb 0.54 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 1k8c h ASN 97 CO 0.03 0.92 0.22 0.50 -1.65 0.00 0.00 177.43 177.45 1k8c h LYS 98 N 1.22 0.61 -0.32 0.81 1.63 -1.08 0.55 116.57 119.98 1k8c h LYS 98 Ca 0.30 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 1k8c h LYS 98 Cb 0.09 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.60 1k8c h LYS 98 CO -0.04 0.51 0.21 1.15 -3.45 0.00 0.00 179.45 177.83 1k8c h THR 99 N 0.55 1.08 -0.56 1.00 2.02 -0.69 0.11 112.91 116.42 1k8c h THR 99 Ca 0.15 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1k8c h THR 99 Cb 0.09 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1k8c h THR 99 CO -0.02 0.08 0.31 -0.07 0.37 0.00 0.00 175.52 176.18 1k8c h LEU 100 N 0.43 0.71 -0.02 2.58 3.38 -0.57 0.24 115.31 122.06 1k8c h LEU 100 Ca 0.12 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1k8c h LEU 100 Cb -0.05 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 1k8c h LEU 100 CO -0.03 0.60 0.01 0.00 0.09 0.00 0.00 178.44 179.12 1k8c h ALA 101 N 1.14 0.03 -0.74 1.53 0.00 -0.57 0.62 119.26 121.27 1k8c h ALA 101 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1k8c h ALA 101 Cb 0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1k8c h ALA 101 CO -0.03 -0.42 0.47 -0.44 0.00 0.00 0.00 179.25 178.84 1k8c h ASP 102 N -0.07 0.86 1.13 0.00 3.32 -0.79 -2.08 116.42 118.79 1k8c h ASP 102 Ca 0.01 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1k8c h ASP 102 Cb 0.11 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1k8c h ASP 102 CO -0.00 0.64 0.00 0.18 -1.72 0.00 0.00 179.24 178.34 1k8c n LEU 103 N -4.55 0.58 -3.32 1.55 4.77 0.06 -3.86 117.00 112.22 1k8c n LEU 103 Ca 0.07 0.58 -0.17 0.00 -0.03 0.00 0.00 56.01 56.45 1k8c n LEU 103 Cb 0.03 -0.43 0.08 0.00 -2.33 0.00 0.00 43.42 40.78 1k8c n LEU 103 CO 0.36 -0.25 0.13 0.29 -1.33 0.00 0.00 177.39 176.59 1k8c n LYS 104 N -2.07 -6.53 -4.19 3.23 5.02 0.16 -4.54 118.16 109.23 1k8c n LYS 104 Ca 0.05 0.80 -0.11 0.00 -2.02 0.00 0.00 58.31 57.02 1k8c n LYS 104 Cb 0.34 -5.68 -0.10 0.00 -0.02 0.00 0.00 35.03 29.57 1k8c n LYS 104 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1k8c s VAL 105 N -3.33 0.10 -0.51 -0.18 -7.23 -0.86 -5.04 120.40 103.35 1k8c s VAL 105 Ca 0.12 -1.97 0.23 0.00 -1.81 0.00 0.00 61.98 58.55 1k8c s VAL 105 Cb -0.05 -2.32 -0.11 0.00 0.56 0.00 0.00 36.38 34.45 1k8c s VAL 105 CO 0.69 -0.19 0.99 0.47 -0.31 0.00 0.00 175.10 176.74 1k8c n ASP 106 N -0.22 0.59 -3.55 4.85 8.00 -1.26 -4.58 116.55 120.39 1k8c n ASP 106 Ca -0.01 -0.11 -0.15 0.00 0.71 0.00 0.00 54.79 55.23 1k8c n ASP 106 Cb 0.65 0.84 -0.05 0.00 -0.02 0.00 0.00 41.12 42.53 1k8c n ASP 106 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1k8c s TYR 107 N -3.25 -0.50 -0.01 1.24 -0.85 -1.26 -4.62 117.35 108.09 1k8c s TYR 107 Ca 0.02 0.67 -0.01 0.00 -0.52 0.00 0.00 57.07 57.23 1k8c s TYR 107 Cb 0.14 0.38 -0.04 0.00 0.38 0.00 0.00 41.96 42.82 1k8c s TYR 107 CO 0.81 -0.64 0.07 0.14 -1.52 0.00 0.00 175.55 174.41 1k8c s VAL 108 N -2.11 4.68 0.18 -3.49 -7.23 -0.84 -4.97 120.40 106.61 1k8c s VAL 108 Ca -0.07 -0.39 -0.03 0.00 -1.81 0.00 0.00 61.98 59.68 1k8c s VAL 108 Cb -0.01 -3.12 -0.07 0.00 0.56 0.00 0.00 36.38 33.74 1k8c s VAL 108 CO 0.01 0.38 1.48 0.44 -0.31 0.00 0.00 175.10 177.10 1k8c h ASP 109 N 4.23 0.62 -3.42 4.85 3.32 -1.49 -2.34 116.42 122.19 1k8c h ASP 109 Ca -0.49 -0.35 -0.27 0.00 0.02 0.00 0.00 57.03 55.94 1k8c h ASP 109 Cb 1.18 -0.18 -0.33 0.00 0.22 0.00 0.00 39.33 40.23 1k8c h ASP 109 CO 0.61 1.07 -0.64 -0.22 -1.72 0.00 0.00 179.24 178.34 1k8c s LEU 110 N -8.28 0.72 -0.12 1.55 2.96 -0.91 -0.93 118.68 113.66 1k8c s LEU 110 Ca -0.07 0.23 0.01 0.00 -0.22 0.00 0.00 54.13 54.08 1k8c s LEU 110 Cb 0.11 0.22 0.02 0.00 0.50 0.00 0.00 46.19 47.04 1k8c s LEU 110 CO 0.85 -0.16 -0.14 0.12 -1.32 0.00 0.00 176.35 175.70 1k8c s PHE 111 N 1.28 1.99 0.13 5.38 5.36 -0.83 -1.02 117.98 130.27 1k8c s PHE 111 Ca -0.08 -1.00 0.08 0.00 -0.96 0.00 0.00 56.93 54.97 1k8c s PHE 111 Cb -0.12 -1.46 -0.04 0.00 -0.34 0.00 0.00 43.02 41.06 1k8c s PHE 111 CO -0.05 -0.55 -0.10 -0.51 -1.46 0.00 0.00 175.22 172.55 1k8c s LEU 112 N 1.23 3.00 -0.39 6.12 1.43 -0.65 -1.99 118.68 127.42 1k8c s LEU 112 Ca -0.02 -0.45 -0.29 0.00 -1.03 0.00 0.00 54.13 52.34 1k8c s LEU 112 Cb -0.14 -1.77 0.02 0.00 0.03 0.00 0.00 46.19 44.33 1k8c s LEU 112 CO -0.05 0.16 1.16 -0.63 0.23 0.00 0.00 176.35 177.21 1k8c s ILE 113 N -1.34 4.28 0.18 -0.59 1.01 -0.86 -0.11 121.20 123.76 1k8c s ILE 113 Ca 0.22 1.39 -0.13 0.00 0.00 0.00 0.00 60.65 62.13 1k8c s ILE 113 Cb -0.10 -4.45 0.09 0.00 0.01 0.00 0.00 42.46 38.01 1k8c s ILE 113 CO 0.14 -0.73 1.75 -0.74 0.00 0.00 0.00 174.94 175.36 1k8c h HIS 114 N 8.96 0.33 -3.22 3.97 2.76 -1.69 -1.29 115.15 124.96 1k8c h HIS 114 Ca -0.23 0.02 -0.15 0.00 -2.20 0.00 0.00 60.37 57.82 1k8c h HIS 114 Cb 1.07 -0.07 -0.23 0.00 1.55 0.00 0.00 27.41 29.73 1k8c h HIS 114 CO 0.91 0.12 -0.41 -0.06 -1.30 0.00 0.00 177.93 177.20 1k8c s PHE 115 N -6.13 -0.15 -1.61 5.26 0.08 -1.26 -4.33 117.98 109.83 1k8c s PHE 115 Ca -0.13 0.32 -0.10 0.00 0.12 0.00 0.00 56.93 57.14 1k8c s PHE 115 Cb 0.14 0.05 -0.08 0.00 -0.57 0.00 0.00 43.02 42.57 1k8c s PHE 115 CO 0.73 -0.25 2.92 -0.35 -0.10 0.00 0.00 175.22 178.17 1k8c n PRO 116 N 2.05 3.70 -3.85 0.24 -0.04 -1.26 -4.75 135.00 131.09 1k8c n PRO 116 Ca -0.18 -2.25 -0.16 0.00 -0.04 0.00 0.00 63.50 60.87 1k8c n PRO 116 Cb 0.57 -2.82 -0.16 0.00 -0.04 0.00 0.00 33.50 31.05 1k8c n PRO 116 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1k8c s ILE 117 N 2.12 0.06 -0.45 0.52 1.01 -1.26 -5.02 121.20 118.17 1k8c s ILE 117 Ca 0.69 0.15 -0.03 0.00 0.00 0.00 0.00 60.65 61.46 1k8c s ILE 117 Cb 0.18 -0.17 0.12 0.00 0.01 0.00 0.00 42.46 42.60 1k8c s ILE 117 CO -0.06 0.12 0.25 0.00 0.00 0.00 0.00 174.94 175.24 1k8c s ALA 118 N 1.04 3.23 0.50 9.38 0.00 -1.26 -4.48 121.76 130.17 1k8c s ALA 118 Ca -0.10 -2.69 -0.17 0.00 0.00 0.00 0.00 51.96 49.01 1k8c s ALA 118 Cb -0.13 -2.45 -0.08 0.00 0.00 0.00 0.00 23.12 20.46 1k8c s ALA 118 CO -0.02 -1.86 0.98 -0.06 0.00 0.00 0.00 175.76 174.80 1k8c s PHE 119 N 0.89 3.41 0.34 0.00 0.08 0.25 -0.99 117.98 121.97 1k8c s PHE 119 Ca 0.10 1.49 -0.28 0.00 0.12 0.00 0.00 56.93 58.36 1k8c s PHE 119 Cb -0.22 -2.81 -0.12 0.00 -0.57 0.00 0.00 43.02 39.30 1k8c s PHE 119 CO -0.04 -0.36 1.39 1.17 -0.10 0.00 0.00 175.22 177.28 1k8c n LYS 120 N -1.45 2.35 -1.80 0.44 4.81 0.50 -4.20 118.16 118.81 1k8c n LYS 120 Ca 0.07 0.83 -0.41 0.00 -0.87 0.00 0.00 58.31 57.92 1k8c n LYS 120 Cb 0.54 -2.48 -0.01 0.00 0.02 0.00 0.00 35.03 33.10 1k8c n LYS 120 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 1k8c s PHE 121 N -0.97 2.74 -0.13 5.64 5.36 -1.25 -4.72 117.98 124.65 1k8c s PHE 121 Ca 0.56 0.89 0.01 0.00 -0.96 0.00 0.00 56.93 57.42 1k8c s PHE 121 Cb -0.54 -4.04 0.02 0.00 -0.34 0.00 0.00 43.02 38.13 1k8c s PHE 121 CO 0.61 -3.39 -0.13 0.08 -1.46 0.00 0.00 175.22 170.93 1k8c s VAL 122 N -0.26 1.44 0.29 3.12 1.01 -1.26 -4.85 120.40 119.89 1k8c s VAL 122 Ca 0.61 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 1k8c s VAL 122 Cb -0.47 -1.36 -0.14 0.00 0.00 0.00 0.00 36.38 34.42 1k8c s VAL 122 CO 0.51 0.43 1.18 -2.65 0.00 0.00 0.00 175.10 174.57 1k8c n PRO 123 N 4.62 1.69 -0.16 2.72 -0.02 -1.26 -4.87 135.00 137.71 1k8c n PRO 123 Ca -0.17 0.59 0.07 0.00 -2.02 0.00 0.00 63.50 61.97 1k8c n PRO 123 Cb 0.50 -2.09 0.37 0.00 -0.02 0.00 0.00 33.50 32.26 1k8c n PRO 123 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1k8c h ILE 124 N 2.40 1.02 0.00 4.25 2.04 -2.00 -0.70 117.51 124.52 1k8c h ILE 124 Ca -0.43 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.18 1k8c h ILE 124 Cb 1.31 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1k8c h ILE 124 CO 0.65 0.13 0.00 -1.84 0.00 0.00 0.00 178.15 177.09 1k8c n GLU 125 N -4.48 0.16 0.05 2.37 -0.00 -1.26 -3.10 120.64 114.38 1k8c n GLU 125 Ca 0.10 0.07 -0.22 0.00 -0.00 0.00 0.00 57.16 57.11 1k8c n GLU 125 Cb 0.22 -1.50 -0.15 0.00 -0.00 0.00 0.00 31.44 30.02 1k8c n GLU 125 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1k8c h GLU 126 N 0.00 0.34 -1.42 3.44 4.81 -1.48 -3.47 114.58 116.80 1k8c h GLU 126 Ca 0.00 -0.59 0.14 0.00 -0.13 0.00 0.00 59.36 58.78 1k8c h GLU 126 Cb 0.33 0.22 -0.28 0.00 0.63 0.00 0.00 28.75 29.64 1k8c h GLU 126 CO 0.00 1.28 0.47 0.21 -0.73 0.00 0.00 179.01 180.24 1k8c s LYS 127 N -2.55 0.30 -0.23 1.92 2.20 -1.14 -5.06 119.74 115.18 1k8c s LYS 127 Ca -0.18 0.52 -0.12 0.00 -0.36 0.00 0.00 55.97 55.83 1k8c s LYS 127 Cb 0.05 0.06 0.08 0.00 -1.51 0.00 0.00 37.83 36.51 1k8c s LYS 127 CO 0.82 -0.06 0.56 -0.47 -0.36 0.00 0.00 175.35 175.83 1k8c s TYR 128 N 1.27 -0.88 0.46 4.03 5.04 -1.25 -3.81 117.35 122.22 1k8c s TYR 128 Ca -0.09 1.76 -0.22 0.00 -2.44 0.00 0.00 57.07 56.09 1k8c s TYR 128 Cb -0.03 0.48 -0.08 0.00 0.35 0.00 0.00 41.96 42.67 1k8c s TYR 128 CO -0.14 -0.46 1.06 -1.25 -1.34 0.00 0.00 175.55 173.43 1k8c s PRO 129 N 1.68 3.87 0.50 4.97 0.04 -1.26 -5.08 135.00 139.72 1k8c s PRO 129 Ca -0.09 1.47 0.29 0.00 0.04 0.00 0.00 61.00 62.71 1k8c s PRO 129 Cb -0.07 -2.26 0.92 0.00 0.04 0.00 0.00 34.50 33.13 1k8c s PRO 129 CO -0.17 -0.39 1.82 -1.00 0.04 0.00 0.00 177.00 177.31 1k8c h PRO 130 N 1.87 0.00 0.00 0.56 0.13 -1.92 -3.49 132.00 129.15 1k8c h PRO 130 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1k8c h PRO 130 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1k8c h PRO 130 CO 0.60 0.01 0.00 0.41 -0.23 0.00 0.00 178.00 178.79 1k8c n GLY 131 N 0.49 3.35 0.29 1.56 0.00 -1.26 -1.51 105.19 108.12 1k8c n GLY 131 Ca 0.02 -0.19 0.13 0.00 0.00 0.00 0.00 46.02 45.98 1k8c n GLY 131 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1k8c n PHE 132 N 14.00 0.04 -2.17 1.61 3.72 -1.26 -4.88 117.46 128.52 1k8c n PHE 132 Ca 0.00 -0.02 -0.42 0.00 -0.05 0.00 0.00 57.45 56.96 1k8c n PHE 132 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 1k8c n PHE 132 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 1k8c s TYR 133 N -1.96 3.23 -0.12 1.38 5.04 -0.57 -4.78 117.35 119.58 1k8c s TYR 133 Ca 0.38 1.05 0.14 0.00 -2.44 0.00 0.00 57.07 56.21 1k8c s TYR 133 Cb 0.19 -3.66 0.30 0.00 0.35 0.00 0.00 41.96 39.14 1k8c s TYR 133 CO 0.31 -2.23 1.15 0.00 -1.34 0.00 0.00 175.55 173.45 1k8c n GLY 135 N -0.84 0.65 2.55 0.00 0.00 -1.26 -4.64 105.19 101.65 1k8c n GLY 135 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 1k8c n GLY 135 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1k8c n ASP 136 N 0.00 -1.84 0.00 1.61 2.03 -1.26 -5.11 116.55 111.98 1k8c n ASP 136 Ca 0.00 -2.75 0.00 0.00 0.52 0.00 0.00 54.79 52.56 1k8c n ASP 136 Cb 0.00 0.63 0.00 0.00 -0.72 0.00 0.00 41.12 41.03 1k8c n ASP 136 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1k8c n GLY 137 N 2.49 3.15 1.02 0.27 0.00 -1.26 -1.75 105.19 109.12 1k8c n GLY 137 Ca 0.21 -0.26 0.09 0.00 0.00 0.00 0.00 46.02 46.06 1k8c n GLY 137 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1k8c n ASN 138 N 2.27 2.97 -4.78 1.61 3.02 -1.26 -4.58 115.26 114.50 1k8c n ASN 138 Ca 0.00 -2.01 -0.37 0.00 -0.03 0.00 0.00 54.58 52.17 1k8c n ASN 138 Cb 0.00 -0.37 -0.06 0.00 -0.61 0.00 0.00 39.78 38.74 1k8c n ASN 138 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1k8c s ASN 139 N -1.00 7.34 -0.09 6.41 0.01 -0.72 -5.00 114.94 121.88 1k8c s ASN 139 Ca 0.37 1.79 -0.23 0.00 -0.71 0.00 0.00 52.86 54.07 1k8c s ASN 139 Cb 0.19 -2.56 -0.03 0.00 0.41 0.00 0.00 41.25 39.26 1k8c s ASN 139 CO 0.25 -0.02 0.71 -0.36 -1.51 0.00 0.00 177.10 176.17 1k8c s PHE 140 N -1.55 3.54 -0.02 2.20 0.40 -1.26 -4.17 117.98 117.11 1k8c s PHE 140 Ca 0.48 1.22 0.04 0.00 -0.60 0.00 0.00 56.93 58.07 1k8c s PHE 140 Cb -0.19 -2.83 -0.01 0.00 0.51 0.00 0.00 43.02 40.50 1k8c s PHE 140 CO 0.24 0.02 -0.15 0.08 0.70 0.00 0.00 175.22 176.11 1k8c s VAL 141 N 1.10 1.19 0.36 -0.44 1.01 -1.26 -5.07 120.40 117.29 1k8c s VAL 141 Ca 0.37 -0.62 0.09 0.00 0.00 0.00 0.00 61.98 61.81 1k8c s VAL 141 Cb -0.17 -1.01 -0.06 0.00 0.00 0.00 0.00 36.38 35.13 1k8c s VAL 141 CO 0.17 0.34 -0.01 -0.31 0.00 0.00 0.00 175.10 175.29 1k8c s TYR 142 N -0.16 2.50 0.04 5.22 2.02 -1.26 -0.37 117.35 125.34 1k8c s TYR 142 Ca 0.02 -0.50 0.08 0.00 -0.37 0.00 0.00 57.07 56.30 1k8c s TYR 142 Cb -0.08 -1.53 -0.03 0.00 -0.40 0.00 0.00 41.96 39.92 1k8c s TYR 142 CO 0.00 0.48 -0.23 -1.21 -1.57 0.00 0.00 175.55 173.02 1k8c s GLU 143 N -3.70 1.59 -1.33 -0.62 2.02 -0.16 -4.49 118.70 112.02 1k8c s GLU 143 Ca 0.35 -1.00 -0.15 0.00 0.02 0.00 0.00 54.97 54.19 1k8c s GLU 143 Cb 0.02 -1.72 0.09 0.00 0.10 0.00 0.00 34.13 32.63 1k8c s GLU 143 CO 0.19 0.44 1.84 -0.25 0.02 0.00 0.00 175.26 177.50 1k8c n ASP 144 N 1.88 4.71 -4.01 -0.19 8.00 -1.26 -4.73 116.55 120.96 1k8c n ASP 144 Ca -0.17 -2.93 -0.31 0.00 0.71 0.00 0.00 54.79 52.09 1k8c n ASP 144 Cb 0.53 -1.66 -0.15 0.00 -0.02 0.00 0.00 41.12 39.81 1k8c n ASP 144 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1k8c s VAL 145 N 3.04 2.01 0.69 2.53 1.01 -1.26 -5.10 120.40 123.32 1k8c s VAL 145 Ca 0.48 -1.77 -0.16 0.00 0.00 0.00 0.00 61.98 60.54 1k8c s VAL 145 Cb 0.06 -2.28 0.02 0.00 0.00 0.00 0.00 36.38 34.18 1k8c s VAL 145 CO 0.01 -0.25 1.24 -2.84 0.00 0.00 0.00 175.10 173.25 1k8c s PRO 146 N 1.12 2.35 0.21 2.72 0.02 -1.26 -4.89 135.00 135.28 1k8c s PRO 146 Ca -0.01 1.88 -0.10 0.00 0.02 0.00 0.00 61.00 62.78 1k8c s PRO 146 Cb -0.19 -1.84 0.31 0.00 0.02 0.00 0.00 34.50 32.79 1k8c s PRO 146 CO -0.07 -1.70 1.68 0.82 -0.33 0.00 0.00 177.00 177.40 1k8c h ILE 147 N 0.11 0.56 -0.59 2.83 1.08 -1.98 -2.06 117.51 117.45 1k8c h ILE 147 Ca -0.49 -0.06 0.08 0.00 -0.39 0.00 0.00 64.86 64.00 1k8c h ILE 147 Cb 1.31 0.36 -0.04 0.00 -3.07 0.00 0.00 36.82 35.38 1k8c h ILE 147 CO 0.51 0.03 0.40 0.25 -0.69 0.00 0.00 178.15 178.65 1k8c h LEU 148 N 0.19 0.43 -0.53 1.44 5.85 -1.98 0.07 115.31 120.77 1k8c h LEU 148 Ca 0.32 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 59.02 1k8c h LEU 148 Cb 0.51 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1k8c h LEU 148 CO -0.47 0.27 0.21 -0.33 -0.34 0.00 0.00 178.44 177.78 1k8c h GLU 149 N 0.49 0.80 -0.53 1.25 4.39 -1.72 -0.50 114.58 118.75 1k8c h GLU 149 Ca 0.27 -0.15 -0.07 0.00 0.34 0.00 0.00 59.36 59.75 1k8c h GLU 149 Cb 0.41 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 1k8c h GLU 149 CO -0.08 0.70 0.05 1.15 -1.16 0.00 0.00 179.01 179.68 1k8c h THR 150 N 0.72 1.26 -0.61 1.13 2.02 -1.18 -2.64 112.91 113.61 1k8c h THR 150 Ca 0.18 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 66.35 1k8c h THR 150 Cb 0.21 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 1k8c h THR 150 CO -0.01 0.36 0.39 -0.25 0.37 0.00 0.00 175.52 176.38 1k8c h TRP 151 N 0.78 0.78 -0.32 3.16 2.91 -0.64 -1.52 115.95 121.10 1k8c h TRP 151 Ca 0.16 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.15 1k8c h TRP 151 Cb 0.45 -0.26 -0.02 0.00 -0.51 0.00 0.00 29.16 28.83 1k8c h TRP 151 CO 0.03 0.51 0.04 0.87 -1.03 0.00 0.00 178.44 178.86 1k8c h LYS 152 N 0.82 0.47 -0.26 2.65 1.57 -0.98 0.23 116.57 121.08 1k8c h LYS 152 Ca 0.22 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.81 1k8c h LYS 152 Cb -0.07 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1k8c h LYS 152 CO -0.05 0.47 -0.29 0.00 -0.57 0.00 0.00 179.45 179.02 1k8c h ALA 153 N 1.59 1.03 -0.32 3.86 0.00 -1.00 -2.17 119.26 122.25 1k8c h ALA 153 Ca 0.11 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 1k8c h ALA 153 Cb 0.24 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1k8c h ALA 153 CO 0.00 0.59 -0.40 -0.07 0.00 0.00 0.00 179.25 179.37 1k8c h LEU 154 N 0.45 0.90 -1.02 0.00 3.38 -0.22 -2.66 115.31 116.15 1k8c h LEU 154 Ca 0.06 -0.49 0.05 0.00 0.09 0.00 0.00 57.88 57.58 1k8c h LEU 154 Cb 0.73 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 1k8c h LEU 154 CO 0.06 1.21 0.65 -0.33 0.09 0.00 0.00 178.44 180.12 1k8c h GLU 155 N 0.61 1.20 -0.75 1.13 5.08 -0.36 -0.92 114.58 120.58 1k8c h GLU 155 Ca 0.04 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1k8c h GLU 155 Cb 0.99 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 1k8c h GLU 155 CO 0.09 0.80 0.26 0.87 -1.00 0.00 0.00 179.01 180.03 1k8c h LYS 156 N 1.24 1.15 0.00 2.33 1.57 -1.26 -1.60 116.57 120.00 1k8c h LYS 156 Ca 0.41 -0.23 -0.06 0.00 -1.87 0.00 0.00 60.65 58.90 1k8c h LYS 156 Cb 0.05 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1k8c h LYS 156 CO -0.14 0.96 -0.27 -0.07 -0.57 0.00 0.00 179.45 179.36 1k8c h LEU 157 N 1.11 0.00 -0.24 2.94 3.38 -0.86 0.08 115.31 121.72 1k8c h LEU 157 Ca 0.25 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.14 1k8c h LEU 157 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1k8c h LEU 157 CO -0.01 0.27 -0.16 0.58 0.09 0.00 0.00 178.44 179.21 1k8c h VAL 158 N 0.00 1.31 -0.24 1.22 2.07 -0.57 -1.97 116.25 118.07 1k8c h VAL 158 Ca -0.00 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.22 1k8c h VAL 158 Cb 0.52 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1k8c h VAL 158 CO 0.04 0.40 0.10 0.00 0.02 0.00 0.00 177.57 178.12 1k8c h ALA 159 N 0.70 1.71 0.00 1.67 0.00 -0.34 -1.02 119.26 121.98 1k8c h ALA 159 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1k8c h ALA 159 Cb 0.69 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1k8c h ALA 159 CO 0.04 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.53 1k8c n ALA 160 N -2.49 2.67 -0.93 0.00 0.00 -0.09 -4.90 120.51 114.77 1k8c n ALA 160 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1k8c n ALA 160 Cb 0.13 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.06 1k8c n ALA 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k8c n GLY 161 N 0.97 0.77 0.11 0.00 0.00 -0.39 -4.92 105.19 101.74 1k8c n GLY 161 Ca 0.23 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.38 1k8c n GLY 161 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k8c h LYS 162 N 2.27 0.00 -3.83 1.61 1.57 -1.56 -3.44 116.57 113.19 1k8c h LYS 162 Ca 0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 1k8c h LYS 162 Cb 0.00 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 32.00 1k8c h LYS 162 CO 0.00 0.00 -0.74 0.42 -0.57 0.00 0.00 179.45 178.56 1k8c s ILE 163 N -3.17 0.16 -0.17 1.86 1.01 -1.18 -1.99 121.20 117.72 1k8c s ILE 163 Ca 0.07 0.01 -0.20 0.00 0.00 0.00 0.00 60.65 60.53 1k8c s ILE 163 Cb 0.11 -0.20 -0.18 0.00 0.01 0.00 0.00 42.46 42.20 1k8c s ILE 163 CO 0.67 0.09 0.32 0.11 0.00 0.00 0.00 174.94 176.14 1k8c h LYS 164 N 6.69 0.00 -5.60 2.79 1.79 -1.51 -3.38 116.57 117.36 1k8c h LYS 164 Ca -0.35 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.62 1k8c h LYS 164 Cb 1.16 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 31.56 1k8c h LYS 164 CO 0.49 0.78 -0.81 -1.12 -1.08 0.00 0.00 179.45 177.71 1k8c s SER 165 N -6.39 1.96 0.15 0.86 0.01 -0.11 -5.01 113.70 105.18 1k8c s SER 165 Ca -0.21 -0.47 0.08 0.00 1.31 0.00 0.00 55.95 56.66 1k8c s SER 165 Cb 0.02 -0.15 -0.04 0.00 0.21 0.00 0.00 66.02 66.06 1k8c s SER 165 CO 0.52 0.09 -0.19 0.27 0.41 0.00 0.00 173.24 174.34 1k8c s ILE 166 N -0.80 1.79 0.00 1.44 -4.36 -1.26 -1.96 121.20 116.06 1k8c s ILE 166 Ca 0.04 -1.83 0.00 0.00 -0.26 0.00 0.00 60.65 58.60 1k8c s ILE 166 Cb -0.08 -1.78 0.00 0.00 1.25 0.00 0.00 42.46 41.85 1k8c s ILE 166 CO 0.01 -0.26 0.00 0.61 0.24 0.00 0.00 174.94 175.55 1k8c n GLY 167 N 0.48 1.99 3.20 6.27 0.00 -0.84 -0.86 105.19 115.41 1k8c n GLY 167 Ca -0.15 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 1k8c n GLY 167 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1k8c s VAL 168 N -2.88 0.84 0.03 1.61 -7.23 -0.01 -2.02 120.40 110.74 1k8c s VAL 168 Ca 0.00 -1.98 0.04 0.00 -1.81 0.00 0.00 61.98 58.23 1k8c s VAL 168 Cb 0.00 -1.76 -0.02 0.00 0.56 0.00 0.00 36.38 35.17 1k8c s VAL 168 CO 0.00 -0.82 -0.11 -0.55 -0.31 0.00 0.00 175.10 173.32 1k8c s SER 169 N -3.09 1.27 -1.37 4.85 0.15 -0.49 -0.81 113.70 114.21 1k8c s SER 169 Ca 0.14 -0.39 -0.04 0.00 0.70 0.00 0.00 55.95 56.36 1k8c s SER 169 Cb 0.04 -0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 1k8c s SER 169 CO -0.03 -0.00 0.48 0.59 1.20 0.00 0.00 173.24 175.48 1k8c n ASN 170 N 2.08 -5.51 -4.62 5.45 3.02 -0.40 -4.16 115.26 111.11 1k8c n ASN 170 Ca -0.18 -0.23 -0.35 0.00 -0.03 0.00 0.00 54.58 53.80 1k8c n ASN 170 Cb 0.55 -4.36 -0.10 0.00 -0.61 0.00 0.00 39.78 35.26 1k8c n ASN 170 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1k8c s PHE 171 N -3.08 3.24 0.80 3.10 0.40 -1.26 -4.50 117.98 116.68 1k8c s PHE 171 Ca 0.24 0.05 -0.10 0.00 -0.60 0.00 0.00 56.93 56.51 1k8c s PHE 171 Cb -0.11 -2.12 0.10 0.00 0.51 0.00 0.00 43.02 41.40 1k8c s PHE 171 CO 0.30 0.10 1.14 -1.25 0.70 0.00 0.00 175.22 176.21 1k8c s PRO 172 N 0.57 1.78 0.14 0.24 0.04 -1.26 -4.82 135.00 131.68 1k8c s PRO 172 Ca 0.04 -0.16 -0.26 0.00 0.04 0.00 0.00 61.00 60.66 1k8c s PRO 172 Cb -0.13 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 1k8c s PRO 172 CO 0.01 -1.63 1.61 0.78 0.04 0.00 0.00 177.00 177.81 1k8c h GLY 173 N -0.99 -0.42 0.97 0.56 0.00 -1.97 -2.08 103.07 99.14 1k8c h GLY 173 Ca -0.45 0.39 0.07 0.00 0.00 0.00 0.00 47.33 47.35 1k8c h GLY 173 CO 0.58 -0.22 0.49 0.00 0.00 0.00 0.00 176.54 177.39 1k8c h ALA 174 N 0.45 1.72 -0.29 3.60 0.00 -1.99 0.15 119.26 122.90 1k8c h ALA 174 Ca 0.10 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1k8c h ALA 174 Cb 0.54 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1k8c h ALA 174 CO -0.36 0.15 -0.39 1.25 0.00 0.00 0.00 179.25 179.91 1k8c h LEU 175 N 0.75 0.84 -0.36 0.00 5.85 -1.86 -1.42 115.31 119.12 1k8c h LEU 175 Ca 0.33 -0.50 -0.07 0.00 0.84 0.00 0.00 57.88 58.48 1k8c h LEU 175 Cb 0.32 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1k8c h LEU 175 CO -0.12 1.18 -0.04 0.25 -0.34 0.00 0.00 178.44 179.37 1k8c h LEU 176 N 0.53 0.66 -0.28 2.25 5.85 -0.79 -1.36 115.31 122.17 1k8c h LEU 176 Ca 0.03 -0.34 0.05 0.00 0.84 0.00 0.00 57.88 58.47 1k8c h LEU 176 Cb 0.98 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.78 1k8c h LEU 176 CO 0.09 0.84 -0.02 0.25 -0.34 0.00 0.00 178.44 179.27 1k8c h LEU 177 N 0.47 -0.15 -0.79 2.25 5.85 -0.67 -0.40 115.31 121.87 1k8c h LEU 177 Ca 0.10 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 1k8c h LEU 177 Cb 0.53 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 1k8c h LEU 177 CO 0.03 -0.04 0.33 -0.78 -0.34 0.00 0.00 178.44 177.64 1k8c h ASP 178 N 0.06 1.08 -0.62 1.25 3.58 -1.07 -2.52 116.42 118.18 1k8c h ASP 178 Ca 0.13 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 1k8c h ASP 178 Cb 0.18 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 40.92 1k8c h ASP 178 CO -0.24 0.95 0.33 0.25 -2.88 0.00 0.00 179.24 177.65 1k8c h LEU 179 N 1.15 0.78 -2.02 2.28 5.85 -0.83 -1.34 115.31 121.18 1k8c h LEU 179 Ca 0.27 -0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.97 1k8c h LEU 179 Cb 0.19 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1k8c h LEU 179 CO -0.03 0.66 0.23 -0.07 -0.34 0.00 0.00 178.44 178.89 1k8c h LEU 180 N 0.84 0.00 -0.51 2.25 3.38 -0.67 0.33 115.31 120.94 1k8c h LEU 180 Ca 0.22 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.02 1k8c h LEU 180 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1k8c h LEU 180 CO -0.03 0.00 -0.55 0.03 0.09 0.00 0.00 178.44 177.98 1k8c h ARG 181 N 0.00 0.57 -0.00 1.13 3.08 -0.91 -3.31 114.38 114.94 1k8c h ARG 181 Ca 0.15 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1k8c h ARG 181 Cb 0.60 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1k8c h ARG 181 CO -0.00 0.97 -0.95 0.41 -1.07 0.00 0.00 179.97 179.32 1k8c n GLY 182 N 0.26 -0.97 3.76 0.04 0.00 -0.61 -4.99 105.19 102.69 1k8c n GLY 182 Ca -0.03 -0.59 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 1k8c n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k8c s ALA 183 N -2.98 3.34 -0.19 4.61 0.00 0.01 -4.95 121.76 121.60 1k8c s ALA 183 Ca 0.09 0.75 -0.09 0.00 0.00 0.00 0.00 51.96 52.70 1k8c s ALA 183 Cb 0.16 -3.27 -0.21 0.00 0.00 0.00 0.00 23.12 19.80 1k8c s ALA 183 CO 0.85 -0.00 0.12 2.41 0.00 0.00 0.00 175.76 179.14 1k8c n THR 184 N 1.14 1.64 -3.50 0.00 -1.04 -1.26 -4.65 114.28 106.60 1k8c n THR 184 Ca -0.01 -0.46 -0.42 0.00 -2.04 0.00 0.00 64.05 61.12 1k8c n THR 184 Cb 0.46 -1.76 -0.10 0.00 -1.82 0.00 0.00 70.33 67.11 1k8c n THR 184 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1k8c s ILE 185 N -2.50 5.20 0.39 12.58 1.01 -1.26 -5.06 121.20 131.56 1k8c s ILE 185 Ca -0.28 -0.49 -0.27 0.00 0.00 0.00 0.00 60.65 59.61 1k8c s ILE 185 Cb 0.08 -3.80 -0.09 0.00 0.01 0.00 0.00 42.46 38.66 1k8c s ILE 185 CO 0.66 -0.17 1.34 -0.54 0.00 0.00 0.00 174.94 176.23 1k8c s LYS 186 N 1.69 4.04 0.13 2.79 -0.14 -1.26 -4.90 119.74 122.08 1k8c s LYS 186 Ca 0.05 2.25 -0.31 0.00 -1.36 0.00 0.00 55.97 56.60 1k8c s LYS 186 Cb -0.18 -2.84 -0.10 0.00 -1.68 0.00 0.00 37.83 33.02 1k8c s LYS 186 CO 0.10 -0.46 1.83 -1.25 -0.76 0.00 0.00 175.35 174.80 1k8c s PRO 187 N -2.14 4.14 0.31 -1.68 0.04 -1.26 -4.86 135.00 129.54 1k8c s PRO 187 Ca 0.55 2.60 0.17 0.00 0.04 0.00 0.00 61.00 64.35 1k8c s PRO 187 Cb -0.40 -3.58 0.16 0.00 0.04 0.00 0.00 34.50 30.72 1k8c s PRO 187 CO 0.52 -0.84 1.49 0.00 0.04 0.00 0.00 177.00 178.22 1k8c h ALA 188 N 8.55 0.74 -3.76 8.56 0.00 -1.35 -3.44 119.26 128.56 1k8c h ALA 188 Ca -0.46 -0.38 -0.27 0.00 0.00 0.00 0.00 54.91 53.80 1k8c h ALA 188 Cb 1.22 -0.07 -0.28 0.00 0.00 0.00 0.00 17.79 18.66 1k8c h ALA 188 CO 0.95 0.52 -0.74 0.08 0.00 0.00 0.00 179.25 180.06 1k8c s VAL 189 N -3.04 0.21 -0.24 0.00 1.01 -1.26 -1.57 120.40 115.51 1k8c s VAL 189 Ca 0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 61.98 61.85 1k8c s VAL 189 Cb 0.07 -0.19 0.03 0.00 0.00 0.00 0.00 36.38 36.29 1k8c s VAL 189 CO 0.73 0.02 -0.09 -0.22 0.00 0.00 0.00 175.10 175.54 1k8c s LEU 190 N -0.16 3.11 -0.28 3.92 2.96 -0.02 -0.83 118.68 127.37 1k8c s LEU 190 Ca -0.00 -0.98 -0.08 0.00 -0.22 0.00 0.00 54.13 52.85 1k8c s LEU 190 Cb -0.02 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 45.05 1k8c s LEU 190 CO -0.00 -0.13 0.10 -1.58 -1.32 0.00 0.00 176.35 173.43 1k8c s GLN 191 N 1.26 3.42 0.07 1.98 0.74 0.01 -1.43 119.66 125.70 1k8c s GLN 191 Ca -0.01 -0.65 -0.00 0.00 0.05 0.00 0.00 55.36 54.75 1k8c s GLN 191 Cb -0.17 -3.43 -0.04 0.00 1.10 0.00 0.00 33.01 30.47 1k8c s GLN 191 CO -0.06 -0.33 -0.03 0.14 -0.55 0.00 0.00 175.29 174.46 1k8c s VAL 192 N 1.59 0.33 0.17 1.34 -7.23 -0.84 -1.28 120.40 114.49 1k8c s VAL 192 Ca 0.05 -1.85 -0.32 0.00 -1.81 0.00 0.00 61.98 58.06 1k8c s VAL 192 Cb -0.16 -1.60 -0.11 0.00 0.56 0.00 0.00 36.38 35.08 1k8c s VAL 192 CO 0.04 -0.93 1.65 -0.70 -0.31 0.00 0.00 175.10 174.85 1k8c s GLU 193 N -3.91 4.18 -0.23 4.82 2.12 -1.26 -1.57 118.70 122.84 1k8c s GLU 193 Ca 0.09 2.46 -0.04 0.00 0.36 0.00 0.00 54.97 57.85 1k8c s GLU 193 Cb 0.07 -3.18 0.12 0.00 0.26 0.00 0.00 34.13 31.40 1k8c s GLU 193 CO -0.08 -0.68 0.40 -1.58 -0.54 0.00 0.00 175.26 172.78 1k8c s HIS 194 N 1.36 -0.85 0.24 5.30 2.46 -0.77 -4.84 115.29 118.18 1k8c s HIS 194 Ca 0.73 1.12 -0.21 0.00 0.47 0.00 0.00 55.06 57.17 1k8c s HIS 194 Cb -0.46 0.15 0.03 0.00 -0.13 0.00 0.00 32.58 32.17 1k8c s HIS 194 CO 0.32 -0.64 0.66 -3.38 -2.47 0.00 0.00 174.74 169.22 1k8c s HIS 195 N 2.59 -0.24 0.65 3.88 -3.43 -1.14 -4.02 115.29 113.58 1k8c s HIS 195 Ca 0.08 -0.14 0.27 0.00 -0.80 0.00 0.00 55.06 54.46 1k8c s HIS 195 Cb -0.14 0.61 1.42 0.00 -1.43 0.00 0.00 32.58 33.04 1k8c s HIS 195 CO -0.15 -1.10 1.81 -1.35 -2.00 0.00 0.00 174.74 171.96 1k8c h PRO 196 N 2.04 0.00 0.00 -0.38 0.11 -1.93 0.88 132.00 132.72 1k8c h PRO 196 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1k8c h PRO 196 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1k8c h PRO 196 CO 0.29 0.00 -0.45 0.66 -0.21 0.00 0.00 178.00 178.29 1k8c n TYR 197 N -3.02 0.54 -3.34 0.65 4.01 -1.26 -2.05 117.16 112.69 1k8c n TYR 197 Ca 0.01 0.16 -0.24 0.00 -0.16 0.00 0.00 57.90 57.66 1k8c n TYR 197 Cb 0.52 -0.66 -0.09 0.00 -0.31 0.00 0.00 39.34 38.79 1k8c n TYR 197 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1k8c s LEU 198 N -4.08 0.90 0.10 7.72 2.96 0.30 -0.92 118.68 125.65 1k8c s LEU 198 Ca 0.08 -2.63 0.16 0.00 -0.22 0.00 0.00 54.13 51.52 1k8c s LEU 198 Cb 0.14 -0.10 -0.10 0.00 0.50 0.00 0.00 46.19 46.62 1k8c s LEU 198 CO 0.68 -0.19 0.96 1.56 -1.32 0.00 0.00 176.35 178.04 1k8c h GLN 199 N 5.98 0.00 -7.00 1.98 4.20 -1.76 -3.01 115.11 115.49 1k8c h GLN 199 Ca 0.19 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.53 1k8c h GLN 199 Cb 0.95 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.70 1k8c h GLN 199 CO 0.30 0.36 -0.61 1.04 -0.67 0.00 0.00 178.83 179.25 1k8c n GLN 200 N -2.98 -0.61 -0.18 1.46 6.02 -1.26 -4.79 117.38 115.03 1k8c n GLN 200 Ca -0.07 -0.14 0.13 0.00 -0.01 0.00 0.00 57.00 56.91 1k8c n GLN 200 Cb 0.83 -1.29 0.45 0.00 1.02 0.00 0.00 30.24 31.25 1k8c n GLN 200 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1k8c h PRO 201 N -0.44 0.52 -0.28 -1.09 0.13 -2.00 -2.15 132.00 126.68 1k8c h PRO 201 Ca -0.43 -0.03 -0.13 0.00 -0.87 0.00 0.00 66.00 64.54 1k8c h PRO 201 Cb 0.85 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 1k8c h PRO 201 CO 0.34 0.34 -0.34 0.87 -0.23 0.00 0.00 178.00 178.97 1k8c h LYS 202 N 0.53 0.63 -0.24 0.86 1.57 -1.99 -0.88 116.57 117.05 1k8c h LYS 202 Ca 0.37 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1k8c h LYS 202 Cb 0.69 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1k8c h LYS 202 CO -0.13 0.88 0.04 1.25 -0.57 0.00 0.00 179.45 180.92 1k8c h LEU 203 N 0.53 0.39 -0.39 2.94 5.85 -1.76 -0.74 115.31 122.13 1k8c h LEU 203 Ca 0.06 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.54 1k8c h LEU 203 Cb 0.84 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 1k8c h LEU 203 CO 0.07 0.55 0.21 0.40 -0.34 0.00 0.00 178.44 179.33 1k8c h ILE 204 N 0.21 1.02 -0.10 4.05 1.08 -1.31 -0.52 117.51 121.94 1k8c h ILE 204 Ca 0.07 -0.15 -0.00 0.00 -0.39 0.00 0.00 64.86 64.39 1k8c h ILE 204 Cb 0.32 0.55 -0.00 0.00 -3.07 0.00 0.00 36.82 34.62 1k8c h ILE 204 CO 0.00 0.08 0.05 -0.08 -0.69 0.00 0.00 178.15 177.51 1k8c h GLU 205 N 0.43 0.15 -0.03 2.37 4.81 -1.03 -0.38 114.58 120.90 1k8c h GLU 205 Ca 0.16 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1k8c h GLU 205 Cb 0.03 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1k8c h GLU 205 CO -0.09 0.24 0.01 0.35 -0.73 0.00 0.00 179.01 178.78 1k8c h PHE 206 N 0.03 0.01 -0.54 0.92 3.57 -0.96 -0.74 116.94 119.22 1k8c h PHE 206 Ca 0.03 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1k8c h PHE 206 Cb 0.14 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1k8c h PHE 206 CO -0.03 0.00 0.32 0.00 -2.23 0.00 0.00 178.31 176.38 1k8c h ALA 207 N 1.02 0.69 -0.28 2.41 0.00 -1.00 -0.61 119.26 121.49 1k8c h ALA 207 Ca 0.01 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1k8c h ALA 207 Cb 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1k8c h ALA 207 CO -0.01 0.18 -0.30 1.96 0.00 0.00 0.00 179.25 181.08 1k8c h GLN 208 N 0.73 0.59 0.00 0.00 4.20 -0.97 0.30 115.11 119.95 1k8c h GLN 208 Ca 0.19 -0.25 -0.07 0.00 0.06 0.00 0.00 58.65 58.58 1k8c h GLN 208 Cb -0.00 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1k8c h GLN 208 CO -0.04 0.82 -0.34 -0.22 -0.67 0.00 0.00 178.83 178.38 1k8c h LYS 209 N 0.51 0.00 -0.12 1.46 3.64 -0.81 -2.01 116.57 119.23 1k8c h LYS 209 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1k8c h LYS 209 Cb 0.77 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1k8c h LYS 209 CO 0.06 0.34 0.00 0.00 -2.27 0.00 0.00 179.45 177.58 1k8c n ALA 210 N -2.35 2.53 -0.97 5.00 0.00 -0.26 -4.90 120.51 119.57 1k8c n ALA 210 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1k8c n ALA 210 Cb 0.44 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1k8c n ALA 210 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k8c n GLY 211 N 0.95 0.50 3.73 0.00 0.00 -0.75 -5.03 105.19 104.59 1k8c n GLY 211 Ca 0.13 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1k8c n GLY 211 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k8c s VAL 212 N -2.00 5.22 0.10 1.61 1.01 0.04 -4.56 120.40 121.83 1k8c s VAL 212 Ca 0.00 0.78 -0.30 0.00 0.00 0.00 0.00 61.98 62.46 1k8c s VAL 212 Cb 0.00 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 1k8c s VAL 212 CO 0.00 0.37 0.95 -0.89 0.00 0.00 0.00 175.10 175.54 1k8c s THR 213 N 0.42 4.55 -0.14 3.92 2.01 -0.61 -3.83 115.64 121.96 1k8c s THR 213 Ca 0.22 2.05 -0.16 0.00 0.31 0.00 0.00 61.69 64.11 1k8c s THR 213 Cb -0.14 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.01 1k8c s THR 213 CO 0.08 0.30 0.40 -0.63 -0.69 0.00 0.00 174.62 174.08 1k8c s ILE 214 N 0.10 5.23 -0.18 1.82 -1.09 -1.26 -0.84 121.20 124.98 1k8c s ILE 214 Ca 0.47 0.78 -0.02 0.00 -2.23 0.00 0.00 60.65 59.65 1k8c s ILE 214 Cb -0.23 -3.74 -0.01 0.00 -1.58 0.00 0.00 42.46 36.90 1k8c s ILE 214 CO 0.29 0.34 -0.09 -0.89 -1.23 0.00 0.00 174.94 173.36 1k8c s THR 215 N 0.63 3.17 0.15 2.92 2.01 -0.51 -0.89 115.64 123.12 1k8c s THR 215 Ca 0.22 -0.59 -0.20 0.00 0.31 0.00 0.00 61.69 61.43 1k8c s THR 215 Cb -0.14 -2.39 -0.07 0.00 0.01 0.00 0.00 72.50 69.90 1k8c s THR 215 CO 0.08 0.48 0.66 0.00 -0.69 0.00 0.00 174.62 175.14 1k8c s ALA 216 N 0.92 3.51 0.11 7.40 0.00 0.48 -1.98 121.76 132.19 1k8c s ALA 216 Ca -0.02 0.12 0.07 0.00 0.00 0.00 0.00 51.96 52.13 1k8c s ALA 216 Cb -0.15 -2.74 -0.03 0.00 0.00 0.00 0.00 23.12 20.19 1k8c s ALA 216 CO -0.00 0.36 -0.18 1.52 0.00 0.00 0.00 175.76 177.46 1k8c s TYR 217 N -1.29 1.60 -1.15 0.00 -0.85 -0.61 -4.04 117.35 111.00 1k8c s TYR 217 Ca 0.36 -0.46 -0.01 0.00 -0.52 0.00 0.00 57.07 56.44 1k8c s TYR 217 Cb -0.19 -0.86 0.00 0.00 0.38 0.00 0.00 41.96 41.29 1k8c s TYR 217 CO 0.21 0.18 0.96 0.43 -1.52 0.00 0.00 175.55 175.81 1k8c n SER 218 N 0.93 -2.71 0.30 -0.18 7.64 -1.26 -1.85 113.62 116.48 1k8c n SER 218 Ca -0.18 -0.57 0.20 0.00 1.01 0.00 0.00 58.87 59.33 1k8c n SER 218 Cb 0.55 -4.81 0.98 0.00 -1.01 0.00 0.00 64.21 59.91 1k8c n SER 218 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1k8c h SER 219 N -1.90 0.00 -0.51 6.43 0.02 -1.87 0.16 113.55 115.89 1k8c h SER 219 Ca -0.55 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 1k8c h SER 219 Cb 1.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.86 1k8c h SER 219 CO 0.48 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.66 1k8c n PHE 220 N -2.96 1.43 0.00 3.45 0.99 -1.26 -4.76 117.46 114.35 1k8c n PHE 220 Ca -0.02 -0.53 0.00 0.00 -0.00 0.00 0.00 57.45 56.90 1k8c n PHE 220 Cb 0.14 -0.30 0.00 0.00 -1.00 0.00 0.00 39.48 38.32 1k8c n PHE 220 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1k8c n GLY 221 N 0.80 3.92 0.25 1.37 0.00 0.04 -3.04 105.19 108.54 1k8c n GLY 221 Ca 0.22 0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.37 1k8c n GLY 221 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1k8c h PRO 222 N 0.00 0.00 -0.90 1.61 0.13 -1.91 -3.35 132.00 127.58 1k8c h PRO 222 Ca 0.00 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.25 1k8c h PRO 222 Cb 0.00 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.00 1k8c h PRO 222 CO 0.00 0.15 -0.41 0.94 -0.23 0.00 0.00 178.00 178.45 1k8c n GLN 223 N -3.68 -0.27 0.27 0.86 -0.06 -1.17 -0.56 117.38 112.77 1k8c n GLN 223 Ca -0.02 1.38 0.12 0.00 -2.00 0.00 0.00 57.00 56.48 1k8c n GLN 223 Cb 0.27 -2.04 0.77 0.00 -4.06 0.00 0.00 30.24 25.18 1k8c n GLN 223 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1k8c h SER 224 N 0.00 0.00 0.86 1.69 0.87 -1.84 -2.91 113.55 112.22 1k8c h SER 224 Ca 0.26 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1k8c h SER 224 Cb 0.48 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1k8c h SER 224 CO -0.88 0.00 -0.82 -0.26 -0.53 0.00 0.00 176.83 174.34 1k8c h PHE 225 N 0.00 0.00 -0.20 2.24 -1.00 -1.07 -3.38 116.94 113.52 1k8c h PHE 225 Ca 0.01 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.71 1k8c h PHE 225 Cb 0.04 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.59 1k8c h PHE 225 CO 0.00 0.00 -0.22 -0.39 -1.61 0.00 0.00 178.31 176.09 1k8c h VAL 226 N 0.00 1.24 0.00 -0.55 -1.51 -1.29 -1.35 116.25 112.80 1k8c h VAL 226 Ca 0.00 -1.14 0.00 0.00 -1.23 0.00 0.00 66.70 64.33 1k8c h VAL 226 Cb 0.84 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 1k8c h VAL 226 CO 0.00 0.36 0.00 -1.84 -1.23 0.00 0.00 177.57 174.86 1k8c n GLU 227 N -4.16 0.18 -0.07 5.19 0.28 -1.26 -0.54 120.64 120.27 1k8c n GLU 227 Ca -0.00 0.42 0.12 0.00 -0.16 0.00 0.00 57.16 57.53 1k8c n GLU 227 Cb 0.37 -1.85 0.36 0.00 1.43 0.00 0.00 31.44 31.74 1k8c n GLU 227 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1k8c n MET 228 N -2.20 1.89 -2.71 3.44 2.81 -0.53 -4.91 117.12 114.91 1k8c n MET 228 Ca 0.02 -1.32 -0.18 0.00 -1.81 0.00 0.00 57.70 54.41 1k8c n MET 228 Cb 0.22 -1.44 0.02 0.00 -0.71 0.00 0.00 33.22 31.31 1k8c n MET 228 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1k8c n ASN 229 N 0.56 -5.25 -4.70 7.83 5.15 0.30 -4.96 115.26 114.19 1k8c n ASN 229 Ca 0.17 -0.17 -0.42 0.00 -0.60 0.00 0.00 54.58 53.56 1k8c n ASN 229 Cb 0.40 -4.16 -0.03 0.00 -0.53 0.00 0.00 39.78 35.46 1k8c n ASN 229 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1k8c s GLN 230 N -5.29 4.45 0.15 1.20 0.74 -1.10 -4.95 119.66 114.87 1k8c s GLN 230 Ca 0.17 1.60 -0.12 0.00 0.05 0.00 0.00 55.36 57.06 1k8c s GLN 230 Cb -0.08 -3.44 0.03 0.00 1.10 0.00 0.00 33.01 30.62 1k8c s GLN 230 CO 0.21 -0.24 1.64 0.78 -0.55 0.00 0.00 175.29 177.13 1k8c h GLY 231 N 7.20 0.92 0.66 2.59 0.00 -1.92 -1.58 103.07 110.94 1k8c h GLY 231 Ca -0.39 -0.62 0.04 0.00 0.00 0.00 0.00 47.33 46.36 1k8c h GLY 231 CO 0.81 0.57 0.02 -0.09 0.00 0.00 0.00 176.54 177.86 1k8c h ARG 232 N 0.73 0.10 -0.59 4.80 2.43 -1.98 -0.91 114.38 118.96 1k8c h ARG 232 Ca 0.15 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.26 1k8c h ARG 232 Cb 0.41 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 1k8c h ARG 232 CO 0.01 0.07 0.14 0.00 -1.51 0.00 0.00 179.97 178.68 1k8c h ALA 233 N 1.20 0.77 -0.40 2.80 0.00 -1.89 -2.73 119.26 119.01 1k8c h ALA 233 Ca 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1k8c h ALA 233 Cb 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1k8c h ALA 233 CO -0.18 0.48 0.14 -0.07 0.00 0.00 0.00 179.25 179.63 1k8c h LEU 234 N 0.85 0.52 0.00 0.00 3.38 -0.93 -1.95 115.31 117.18 1k8c h LEU 234 Ca 0.18 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1k8c h LEU 234 Cb 0.35 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1k8c h LEU 234 CO 0.00 0.49 0.00 0.59 0.09 0.00 0.00 178.44 179.61 1k8c n ASN 235 N -4.36 0.00 -4.69 -0.43 3.02 -0.38 -4.82 115.26 103.60 1k8c n ASN 235 Ca 0.03 0.06 -0.37 0.00 -0.03 0.00 0.00 54.58 54.27 1k8c n ASN 235 Cb 0.16 -0.35 -0.08 0.00 -0.61 0.00 0.00 39.78 38.90 1k8c n ASN 235 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1k8c s THR 236 N -2.70 5.30 0.31 3.41 2.01 -0.74 -5.05 115.64 118.18 1k8c s THR 236 Ca 0.23 0.47 -0.30 0.00 0.31 0.00 0.00 61.69 62.41 1k8c s THR 236 Cb 0.19 -3.61 -0.11 0.00 0.01 0.00 0.00 72.50 68.98 1k8c s THR 236 CO 0.47 0.34 1.59 -2.84 -0.69 0.00 0.00 174.62 173.49 1k8c s PRO 237 N 0.86 4.11 0.66 4.92 0.02 -1.26 -4.93 135.00 139.37 1k8c s PRO 237 Ca 0.14 2.60 -0.16 0.00 0.02 0.00 0.00 61.00 63.60 1k8c s PRO 237 Cb -0.13 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.38 1k8c s PRO 237 CO 0.05 -0.63 1.15 0.95 -0.33 0.00 0.00 177.00 178.18 1k8c s THR 238 N -0.19 2.90 0.23 0.99 -4.23 -1.26 -4.93 115.64 109.15 1k8c s THR 238 Ca 0.62 0.46 0.09 0.00 -1.18 0.00 0.00 61.69 61.67 1k8c s THR 238 Cb -0.48 -3.02 -0.08 0.00 1.34 0.00 0.00 72.50 70.26 1k8c s THR 238 CO 0.51 -0.22 1.51 -0.07 -0.54 0.00 0.00 174.62 175.81 1k8c h LEU 239 N 0.17 0.03 -1.56 4.79 3.38 -1.92 -2.79 115.31 117.41 1k8c h LEU 239 Ca -0.48 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.44 1k8c h LEU 239 Cb 1.27 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1k8c h LEU 239 CO 0.53 0.75 0.00 -0.26 0.09 0.00 0.00 178.44 179.55 1k8c h PHE 240 N 0.02 0.28 -0.49 1.13 -1.00 -1.91 -2.66 116.94 112.31 1k8c h PHE 240 Ca -0.01 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.76 1k8c h PHE 240 Cb 1.29 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 40.76 1k8c h PHE 240 CO 0.00 0.29 0.00 0.00 -1.61 0.00 0.00 178.31 177.00 1k8c n ALA 241 N -2.50 2.29 -2.41 2.45 0.00 -1.18 -4.75 120.51 114.41 1k8c n ALA 241 Ca -0.00 -1.17 -0.42 0.00 0.00 0.00 0.00 53.44 51.85 1k8c n ALA 241 Cb 0.18 -0.66 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 1k8c n ALA 241 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1k8c s HIS 242 N -1.04 3.34 0.35 0.00 5.04 -1.00 -4.94 115.29 117.04 1k8c s HIS 242 Ca 0.34 1.24 0.09 0.00 -1.54 0.00 0.00 55.06 55.19 1k8c s HIS 242 Cb 0.18 -3.44 0.80 0.00 0.04 0.00 0.00 32.58 30.16 1k8c s HIS 242 CO 0.24 -1.39 1.85 -0.44 -2.34 0.00 0.00 174.74 172.66 1k8c h ASP 243 N 7.00 0.68 0.10 9.88 3.32 -1.92 -0.57 116.42 134.92 1k8c h ASP 243 Ca -0.40 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 56.70 1k8c h ASP 243 Cb 1.20 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1k8c h ASP 243 CO 0.83 0.32 -0.05 0.74 -1.72 0.00 0.00 179.24 179.37 1k8c h THR 244 N 0.71 1.01 -0.57 0.35 2.02 -1.94 -0.26 112.91 114.23 1k8c h THR 244 Ca 0.48 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 1k8c h THR 244 Cb 0.77 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 68.43 1k8c h THR 244 CO -0.23 0.10 0.26 0.40 0.37 0.00 0.00 175.52 176.42 1k8c h ILE 245 N -0.32 1.21 -0.60 3.11 1.08 -1.73 -2.45 117.51 117.80 1k8c h ILE 245 Ca -0.01 -0.61 -0.05 0.00 -0.39 0.00 0.00 64.86 63.80 1k8c h ILE 245 Cb 0.27 0.56 -0.03 0.00 -3.07 0.00 0.00 36.82 34.56 1k8c h ILE 245 CO 0.02 0.24 0.18 0.11 -0.69 0.00 0.00 178.15 178.01 1k8c h LYS 246 N 0.77 0.94 -0.54 2.37 1.57 -1.06 -0.93 116.57 119.68 1k8c h LYS 246 Ca 0.19 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1k8c h LYS 246 Cb 0.14 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1k8c h LYS 246 CO -0.02 0.85 0.13 0.00 -0.57 0.00 0.00 179.45 179.84 1k8c h ALA 247 N 1.05 1.21 -0.24 3.86 0.00 -0.87 -0.48 119.26 123.80 1k8c h ALA 247 Ca 0.19 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1k8c h ALA 247 Cb 0.30 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1k8c h ALA 247 CO -0.00 0.54 -0.54 0.82 0.00 0.00 0.00 179.25 180.06 1k8c h ILE 248 N 0.80 1.29 -0.54 0.00 2.04 -1.20 -1.94 117.51 117.97 1k8c h ILE 248 Ca 0.18 -1.75 0.01 0.00 1.00 0.00 0.00 64.86 64.30 1k8c h ILE 248 Cb 0.29 1.77 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 1k8c h ILE 248 CO -0.00 0.56 0.35 0.00 0.00 0.00 0.00 178.15 179.06 1k8c h ALA 249 N 0.63 0.68 -0.29 1.87 0.00 -0.89 -2.76 119.26 118.50 1k8c h ALA 249 Ca -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1k8c h ALA 249 Cb 1.16 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1k8c h ALA 249 CO 0.12 0.12 0.11 0.00 0.00 0.00 0.00 179.25 179.59 1k8c h ALA 250 N 1.20 0.37 -0.91 0.00 0.00 -1.03 0.34 119.26 119.23 1k8c h ALA 250 Ca 0.20 -0.13 0.20 0.00 0.00 0.00 0.00 54.91 55.17 1k8c h ALA 250 Cb -0.08 -0.11 -0.11 0.00 0.00 0.00 0.00 17.79 17.49 1k8c h ALA 250 CO -0.05 -0.02 0.46 -0.22 0.00 0.00 0.00 179.25 179.43 1k8c h LYS 251 N 0.31 0.53 -0.02 0.00 3.64 -1.11 -1.20 116.57 118.72 1k8c h LYS 251 Ca 0.09 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1k8c h LYS 251 Cb 0.20 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1k8c h LYS 251 CO -0.01 0.35 -0.38 0.66 -2.27 0.00 0.00 179.45 177.80 1k8c n TYR 252 N -4.93 0.00 -3.18 1.91 4.01 -1.06 -4.96 117.16 108.95 1k8c n TYR 252 Ca 0.21 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.80 1k8c n TYR 252 Cb 0.59 -0.01 0.06 0.00 -0.31 0.00 0.00 39.34 39.66 1k8c n TYR 252 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1k8c n ASN 253 N 0.10 -4.22 -4.62 7.72 5.15 0.62 -5.03 115.26 114.97 1k8c n ASN 253 Ca 0.10 -0.38 -0.28 0.00 -0.60 0.00 0.00 54.58 53.42 1k8c n ASN 253 Cb 0.47 -3.60 -0.11 0.00 -0.53 0.00 0.00 39.78 36.01 1k8c n ASN 253 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1k8c s LYS 254 N -5.64 1.97 0.35 1.20 -0.14 0.86 -5.01 119.74 113.33 1k8c s LYS 254 Ca 0.30 -2.11 -0.08 0.00 -1.36 0.00 0.00 55.97 52.72 1k8c s LYS 254 Cb -0.13 -1.65 -0.06 0.00 -1.68 0.00 0.00 37.83 34.31 1k8c s LYS 254 CO 0.50 -0.06 0.68 0.95 -0.76 0.00 0.00 175.35 176.66 1k8c s THR 255 N -2.71 4.89 0.50 2.17 -4.23 -1.26 -4.26 115.64 110.73 1k8c s THR 255 Ca 0.35 0.38 0.18 0.00 -1.18 0.00 0.00 61.69 61.42 1k8c s THR 255 Cb 0.10 -3.73 0.33 0.00 1.34 0.00 0.00 72.50 70.54 1k8c s THR 255 CO 0.18 -0.43 2.05 -0.65 -0.54 0.00 0.00 174.62 175.23 1k8c h PRO 256 N 1.46 0.14 -0.54 3.99 0.11 -1.90 -1.05 132.00 134.20 1k8c h PRO 256 Ca -0.47 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 1k8c h PRO 256 Cb 1.19 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1k8c h PRO 256 CO 0.65 0.09 0.08 0.00 -0.21 0.00 0.00 178.00 178.60 1k8c h ALA 257 N 1.81 0.72 -0.76 -0.75 0.00 -1.94 -1.19 119.26 117.15 1k8c h ALA 257 Ca 0.17 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1k8c h ALA 257 Cb 0.49 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1k8c h ALA 257 CO -0.02 0.48 0.29 0.93 0.00 0.00 0.00 179.25 180.92 1k8c h GLU 258 N 0.79 1.15 -0.36 0.00 5.08 -1.58 -0.86 114.58 118.82 1k8c h GLU 258 Ca 0.16 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1k8c h GLU 258 Cb 0.43 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1k8c h GLU 258 CO 0.01 0.95 0.03 0.28 -1.00 0.00 0.00 179.01 179.28 1k8c h VAL 259 N 1.11 1.25 -0.84 3.13 2.07 -1.17 0.79 116.25 122.59 1k8c h VAL 259 Ca 0.25 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 66.87 1k8c h VAL 259 Cb 0.24 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1k8c h VAL 259 CO -0.02 0.30 0.55 -0.07 0.02 0.00 0.00 177.57 178.36 1k8c h LEU 260 N 0.43 0.95 -0.14 2.57 3.38 -0.91 0.16 115.31 121.76 1k8c h LEU 260 Ca 0.10 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 1k8c h LEU 260 Cb 0.41 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.93 1k8c h LEU 260 CO 0.01 0.69 -0.50 -0.07 0.09 0.00 0.00 178.44 178.66 1k8c h LEU 261 N 1.13 0.68 -1.28 1.67 3.38 -1.06 -3.24 115.31 116.58 1k8c h LEU 261 Ca 0.31 -0.61 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 1k8c h LEU 261 Cb -0.12 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 1k8c h LEU 261 CO -0.07 1.18 0.02 -0.09 0.09 0.00 0.00 178.44 179.57 1k8c h ARG 262 N 0.23 0.51 -0.25 1.13 9.65 -0.55 -1.28 114.38 123.83 1k8c h ARG 262 Ca -0.02 -0.10 0.07 0.00 -1.10 0.00 0.00 59.98 58.83 1k8c h ARG 262 Cb 1.13 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.62 1k8c h ARG 262 CO 0.11 0.52 0.20 2.35 2.80 0.00 0.00 179.97 185.94 1k8c h TRP 263 N 0.49 0.00 0.02 2.20 7.01 -0.72 0.32 115.95 125.27 1k8c h TRP 263 Ca 0.11 0.00 -0.30 0.00 2.11 0.00 0.00 58.89 60.81 1k8c h TRP 263 Cb 0.28 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.31 1k8c h TRP 263 CO 0.01 0.00 -1.62 0.00 -2.79 0.00 0.00 178.44 174.04 1k8c n ALA 264 N -2.51 0.89 -0.27 2.65 0.00 -0.68 -4.30 120.51 116.29 1k8c n ALA 264 Ca 0.03 -0.62 0.02 0.00 0.00 0.00 0.00 53.44 52.86 1k8c n ALA 264 Cb 0.35 -0.46 0.14 0.00 0.00 0.00 0.00 19.45 19.49 1k8c n ALA 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k8c h ALA 265 N -0.47 1.06 0.00 0.00 0.00 -0.93 -0.77 119.26 118.15 1k8c h ALA 265 Ca -0.43 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1k8c h ALA 265 Cb 1.49 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1k8c h ALA 265 CO -0.20 0.05 -0.01 0.37 0.00 0.00 0.00 179.25 179.46 1k8c h GLN 266 N 0.72 0.00 -0.61 0.00 4.15 -1.16 -1.12 115.11 117.10 1k8c h GLN 266 Ca 0.36 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.78 1k8c h GLN 266 Cb 0.33 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.02 1k8c h GLN 266 CO -0.24 0.01 0.00 0.54 -1.93 0.00 0.00 178.83 177.21 1k8c n ARG 267 N -3.21 4.30 -1.00 1.69 1.74 -0.34 -4.92 116.66 114.92 1k8c n ARG 267 Ca -0.02 -3.03 -0.00 0.00 -0.77 0.00 0.00 57.85 54.02 1k8c n ARG 267 Cb 0.13 -2.08 -0.00 0.00 -1.02 0.00 0.00 32.46 29.49 1k8c n ARG 267 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k8c n GLY 268 N 0.85 0.48 3.71 -0.13 0.00 -0.42 -5.02 105.19 104.66 1k8c n GLY 268 Ca 0.27 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1k8c n GLY 268 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k8c s ILE 269 N -2.00 5.24 0.44 -0.61 1.01 -0.93 -4.67 121.20 119.69 1k8c s ILE 269 Ca 0.00 0.73 -0.22 0.00 0.00 0.00 0.00 60.65 61.17 1k8c s ILE 269 Cb 0.00 -3.72 -0.09 0.00 0.01 0.00 0.00 42.46 38.66 1k8c s ILE 269 CO 0.00 0.34 1.03 0.00 0.00 0.00 0.00 174.94 176.31 1k8c s ALA 270 N 0.70 2.97 0.15 9.38 0.00 -0.07 -3.57 121.76 131.32 1k8c s ALA 270 Ca 0.21 0.61 0.07 0.00 0.00 0.00 0.00 51.96 52.85 1k8c s ALA 270 Cb -0.14 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1k8c s ALA 270 CO 0.07 -0.21 -0.17 0.14 0.00 0.00 0.00 175.76 175.59 1k8c s VAL 271 N -1.88 1.64 -0.37 0.00 -7.23 -0.07 -0.39 120.40 112.10 1k8c s VAL 271 Ca 0.63 -1.86 0.12 0.00 -1.81 0.00 0.00 61.98 59.06 1k8c s VAL 271 Cb -0.18 -1.74 0.36 0.00 0.56 0.00 0.00 36.38 35.38 1k8c s VAL 271 CO 0.22 -0.37 0.78 2.30 -0.31 0.00 0.00 175.10 177.72 1k8c n ILE 272 N 0.35 -0.04 -1.71 -0.62 -5.35 -1.26 -0.39 119.36 110.34 1k8c n ILE 272 Ca -0.14 -4.22 -0.41 0.00 -0.27 0.00 0.00 62.75 57.71 1k8c n ILE 272 Cb 0.57 -0.05 0.01 0.00 -1.74 0.00 0.00 39.64 38.43 1k8c n ILE 272 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1k8c n PRO 273 N 0.24 2.04 -4.17 6.28 -0.04 -1.23 -2.80 135.00 135.32 1k8c n PRO 273 Ca 0.22 0.72 -0.31 0.00 -0.04 0.00 0.00 63.50 64.09 1k8c n PRO 273 Cb 0.68 -2.41 -0.08 0.00 -0.04 0.00 0.00 33.50 31.65 1k8c n PRO 273 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1k8c s LYS 274 N -2.15 2.72 -0.28 0.54 2.36 -1.26 -1.75 119.74 119.91 1k8c s LYS 274 Ca 0.59 -0.71 -0.18 0.00 -2.55 0.00 0.00 55.97 53.13 1k8c s LYS 274 Cb -0.51 -2.64 0.12 0.00 -1.05 0.00 0.00 37.83 33.75 1k8c s LYS 274 CO 0.59 0.58 0.89 0.45 1.55 0.00 0.00 175.35 179.41 1k8c s SER 275 N -2.02 -0.63 0.05 1.43 0.15 -1.26 -4.97 113.70 106.44 1k8c s SER 275 Ca 0.24 1.05 0.27 0.00 0.70 0.00 0.00 55.95 58.20 1k8c s SER 275 Cb -0.12 1.22 0.83 0.00 -1.71 0.00 0.00 66.02 66.25 1k8c s SER 275 CO 0.16 -0.17 1.67 0.59 1.20 0.00 0.00 173.24 176.69 1k8c n ASN 276 N 3.61 0.38 -4.64 5.45 3.02 -1.26 -4.84 115.26 116.99 1k8c n ASN 276 Ca -0.18 0.24 -0.39 0.00 -0.03 0.00 0.00 54.58 54.23 1k8c n ASN 276 Cb 0.58 -0.24 -0.08 0.00 -0.61 0.00 0.00 39.78 39.43 1k8c n ASN 276 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1k8c s LEU 277 N -3.43 4.09 0.31 3.41 1.43 -1.26 -4.97 118.68 118.26 1k8c s LEU 277 Ca 0.11 0.43 0.04 0.00 -1.03 0.00 0.00 54.13 53.69 1k8c s LEU 277 Cb 0.17 -2.50 0.66 0.00 0.03 0.00 0.00 46.19 44.54 1k8c s LEU 277 CO 0.62 -0.15 1.86 -0.65 0.23 0.00 0.00 176.35 178.26 1k8c h PRO 278 N 7.77 0.85 -0.33 1.29 0.11 -2.01 -0.92 132.00 138.77 1k8c h PRO 278 Ca -0.33 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 1k8c h PRO 278 Cb 1.16 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 1k8c h PRO 278 CO 0.69 0.56 0.17 0.93 -0.21 0.00 0.00 178.00 180.15 1k8c h GLU 279 N 0.88 0.44 0.00 1.05 3.07 -2.00 -2.40 114.58 115.62 1k8c h GLU 279 Ca 0.47 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.29 1k8c h GLU 279 Cb 0.55 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1k8c h GLU 279 CO -0.23 0.33 -0.09 0.00 -1.40 0.00 0.00 179.01 177.63 1k8c h ARG 280 N 0.45 0.00 0.52 2.33 3.08 -1.58 -3.36 114.38 115.81 1k8c h ARG 280 Ca 0.12 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1k8c h ARG 280 Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1k8c h ARG 280 CO -0.02 0.00 -0.46 -0.07 -1.07 0.00 0.00 179.97 178.35 1k8c h LEU 281 N 0.00 -1.24 -0.51 3.04 3.38 -1.34 0.04 115.31 118.68 1k8c h LEU 281 Ca 0.00 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1k8c h LEU 281 Cb 0.79 0.40 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1k8c h LEU 281 CO 0.00 -0.64 0.27 0.58 0.09 0.00 0.00 178.44 178.74 1k8c h VAL 282 N -0.97 1.18 -0.67 1.22 2.07 -1.73 -3.04 116.25 114.31 1k8c h VAL 282 Ca -0.06 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.01 1k8c h VAL 282 Cb 0.83 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1k8c h VAL 282 CO -0.03 0.20 0.42 1.56 0.02 0.00 0.00 177.57 179.74 1k8c h GLN 283 N 0.68 0.80 0.00 1.57 4.20 -1.68 -2.10 115.11 118.58 1k8c h GLN 283 Ca 0.18 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1k8c h GLN 283 Cb 0.07 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.67 1k8c h GLN 283 CO -0.03 0.53 0.00 0.09 -0.67 0.00 0.00 178.83 178.75 1k8c n ASN 284 N -4.68 0.00 0.00 1.46 3.02 -0.01 -2.84 115.26 112.21 1k8c n ASN 284 Ca 0.07 -0.40 0.00 0.00 -0.03 0.00 0.00 54.58 54.22 1k8c n ASN 284 Cb 0.08 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 1k8c n ASN 284 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1k8c n ARG 285 N -1.09 0.40 -0.66 3.52 0.00 -0.84 -4.74 116.66 113.24 1k8c n ARG 285 Ca 0.13 -0.74 0.06 0.00 -0.00 0.00 0.00 57.85 57.29 1k8c n ARG 285 Cb 0.09 -0.91 0.12 0.00 0.00 0.00 0.00 32.46 31.77 1k8c n ARG 285 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1k8c n SER 286 N -0.15 1.47 0.00 6.15 7.64 -0.91 -4.80 113.62 123.02 1k8c n SER 286 Ca 0.00 -3.02 0.14 0.00 1.01 0.00 0.00 58.87 57.00 1k8c n SER 286 Cb 0.14 -0.41 0.66 0.00 -1.01 0.00 0.00 64.21 63.59 1k8c n SER 286 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1k8c n PHE 287 N -0.68 0.00 -1.17 1.43 1.16 -1.25 -4.40 117.46 112.56 1k8c n PHE 287 Ca 0.13 0.00 -0.31 0.00 -1.87 0.00 0.00 57.45 55.40 1k8c n PHE 287 Cb 0.78 -0.43 -0.06 0.00 -1.61 0.00 0.00 39.48 38.17 1k8c n PHE 287 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1k8c n ASN 288 N -1.43 7.53 0.00 5.98 3.02 -1.26 -4.25 115.26 124.86 1k8c n ASN 288 Ca 0.09 -2.51 0.00 0.00 -0.03 0.00 0.00 54.58 52.13 1k8c n ASN 288 Cb 0.30 -1.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.01 1k8c n ASN 288 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1k8c n THR 289 N 3.40 0.77 -3.82 3.41 -2.24 -1.26 -5.06 114.28 109.48 1k8c n THR 289 Ca 0.67 -0.84 -0.09 0.00 -2.27 0.00 0.00 64.05 61.52 1k8c n THR 289 Cb 0.37 0.63 -0.04 0.00 -2.10 0.00 0.00 70.33 69.18 1k8c n THR 289 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1k8c s PHE 290 N -0.77 0.03 -0.09 4.78 -0.71 -1.26 -5.16 117.98 114.80 1k8c s PHE 290 Ca 0.00 -0.38 0.04 0.00 -1.04 0.00 0.00 56.93 55.54 1k8c s PHE 290 Cb 0.00 0.31 0.00 0.00 -1.21 0.00 0.00 43.02 42.13 1k8c s PHE 290 CO 0.00 -0.92 -0.22 -0.51 -1.34 0.00 0.00 175.22 172.23 1k8c s ASP 291 N -2.91 2.84 0.20 1.98 1.01 -1.26 -5.09 116.67 113.44 1k8c s ASP 291 Ca 0.12 -0.51 -0.30 0.00 0.71 0.00 0.00 52.55 52.58 1k8c s ASP 291 Cb -0.01 -1.24 -0.08 0.00 1.01 0.00 0.00 42.92 42.60 1k8c s ASP 291 CO 0.00 0.15 1.05 -0.76 0.21 0.00 0.00 175.17 175.81 1k8c s LEU 292 N 0.34 4.53 0.76 1.23 1.43 -1.26 -5.03 118.68 120.68 1k8c s LEU 292 Ca -0.17 2.05 -0.07 0.00 -1.03 0.00 0.00 54.13 54.92 1k8c s LEU 292 Cb -0.17 -3.61 0.11 0.00 0.03 0.00 0.00 46.19 42.55 1k8c s LEU 292 CO 0.07 -0.11 1.07 0.42 0.23 0.00 0.00 176.35 178.04 1k8c s THR 293 N -0.56 2.19 0.22 5.49 -4.23 -1.26 -4.91 115.64 112.57 1k8c s THR 293 Ca 0.46 -0.31 -0.08 0.00 -1.18 0.00 0.00 61.69 60.58 1k8c s THR 293 Cb -0.28 -2.88 0.17 0.00 1.34 0.00 0.00 72.50 70.85 1k8c s THR 293 CO 0.35 0.00 1.85 0.50 -0.54 0.00 0.00 174.62 176.78 1k8c h LYS 294 N -0.80 0.88 -0.54 3.99 3.64 -2.00 -2.21 116.57 119.53 1k8c h LYS 294 Ca -0.42 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 58.89 1k8c h LYS 294 Cb 1.28 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.88 1k8c h LYS 294 CO 0.49 0.58 0.27 0.93 -2.27 0.00 0.00 179.45 179.45 1k8c h GLU 295 N 0.90 0.76 -0.75 1.90 3.07 -1.99 -1.89 114.58 116.58 1k8c h GLU 295 Ca 0.31 -0.11 0.04 0.00 -0.50 0.00 0.00 59.36 59.11 1k8c h GLU 295 Cb 0.07 -0.14 -0.05 0.00 -0.84 0.00 0.00 28.75 27.79 1k8c h GLU 295 CO -0.13 0.62 0.47 -0.44 -1.40 0.00 0.00 179.01 178.13 1k8c h ASP 296 N 0.72 0.76 -0.59 1.42 3.32 -1.79 -1.56 116.42 118.70 1k8c h ASP 296 Ca 0.19 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 1k8c h ASP 296 Cb 0.10 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 1k8c h ASP 296 CO -0.03 0.52 0.11 -0.26 -1.72 0.00 0.00 179.24 177.86 1k8c h PHE 297 N 0.90 1.06 -0.59 4.55 0.04 -1.13 -0.96 116.94 120.81 1k8c h PHE 297 Ca 0.31 -0.13 -0.05 0.00 2.80 0.00 0.00 57.97 60.90 1k8c h PHE 297 Cb 0.05 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 37.88 1k8c h PHE 297 CO -0.04 0.89 0.18 0.93 -0.60 0.00 0.00 178.31 179.67 1k8c h GLU 298 N 0.95 0.88 -0.23 1.51 5.08 -0.72 0.71 114.58 122.76 1k8c h GLU 298 Ca 0.19 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 1k8c h GLU 298 Cb 0.40 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1k8c h GLU 298 CO 0.01 0.77 -0.19 0.93 -1.00 0.00 0.00 179.01 179.52 1k8c h GLU 299 N 0.86 0.53 -0.09 2.33 4.39 -0.80 -3.05 114.58 118.76 1k8c h GLU 299 Ca 0.19 -0.27 -0.10 0.00 0.34 0.00 0.00 59.36 59.53 1k8c h GLU 299 Cb 0.26 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1k8c h GLU 299 CO -0.01 0.84 -0.39 0.82 -1.16 0.00 0.00 179.01 179.12 1k8c h ILE 300 N 0.23 1.30 -0.04 3.13 2.04 -1.06 -2.77 117.51 120.33 1k8c h ILE 300 Ca 0.04 -1.45 0.01 0.00 1.00 0.00 0.00 64.86 64.46 1k8c h ILE 300 Cb 0.73 1.67 -0.00 0.00 -0.74 0.00 0.00 36.82 38.47 1k8c h ILE 300 CO 0.05 0.43 0.03 0.00 0.00 0.00 0.00 178.15 178.66 1k8c h ALA 301 N 1.43 2.03 0.00 1.87 0.00 -0.75 -1.59 119.26 122.26 1k8c h ALA 301 Ca 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1k8c h ALA 301 Cb 0.77 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1k8c h ALA 301 CO 0.06 -0.04 -0.01 0.87 0.00 0.00 0.00 179.25 180.13 1k8c h LYS 302 N 0.01 0.00 0.00 0.00 1.57 -1.43 -2.55 116.57 114.17 1k8c h LYS 302 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1k8c h LYS 302 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1k8c h LYS 302 CO -0.00 0.01 0.00 1.28 -0.57 0.00 0.00 179.45 180.17 1k8c n LEU 303 N -3.14 0.10 -4.66 2.94 4.77 -0.60 -4.84 117.00 111.57 1k8c n LEU 303 Ca -0.02 0.51 -0.42 0.00 -0.03 0.00 0.00 56.01 56.05 1k8c n LEU 303 Cb 0.16 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.74 1k8c n LEU 303 CO 0.23 -0.02 1.50 -0.62 -1.33 0.00 0.00 177.39 177.15 1k8c s ASP 304 N -3.18 6.54 0.00 -1.43 2.15 -0.87 -4.25 116.67 115.63 1k8c s ASP 304 Ca 0.14 2.47 0.00 0.00 0.43 0.00 0.00 52.55 55.58 1k8c s ASP 304 Cb 0.18 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 1k8c s ASP 304 CO 0.54 -1.01 0.54 2.30 -0.17 0.00 0.00 175.17 177.37 1k8c n ILE 305 N 5.55 0.22 -3.10 4.11 -5.35 -0.84 -5.00 119.36 114.95 1k8c n ILE 305 Ca 0.19 -0.25 -0.19 0.00 -0.27 0.00 0.00 62.75 62.23 1k8c n ILE 305 Cb 0.42 1.04 0.05 0.00 -1.74 0.00 0.00 39.64 39.40 1k8c n ILE 305 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1k8c n GLY 306 N -0.11 -0.29 3.57 3.28 0.00 -0.10 -4.96 105.19 106.58 1k8c n GLY 306 Ca 0.00 0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1k8c n GLY 306 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k8c s LEU 307 N -5.80 4.25 -0.20 0.99 2.96 -0.20 -4.96 118.68 115.72 1k8c s LEU 307 Ca 0.35 0.16 -0.04 0.00 -0.22 0.00 0.00 54.13 54.37 1k8c s LEU 307 Cb -0.15 -2.68 -0.02 0.00 0.50 0.00 0.00 46.19 43.84 1k8c s LEU 307 CO 0.43 -0.49 -0.03 -0.60 -1.32 0.00 0.00 176.35 174.34 1k8c s ARG 308 N 2.50 3.50 -0.00 1.98 3.52 -1.26 -4.19 118.95 125.00 1k8c s ARG 308 Ca 0.22 -0.58 0.13 0.00 -0.13 0.00 0.00 55.73 55.36 1k8c s ARG 308 Cb -0.15 -3.00 -0.21 0.00 -1.56 0.00 0.00 34.95 30.03 1k8c s ARG 308 CO 0.13 -0.05 0.78 0.74 -0.81 0.00 0.00 175.30 176.09 1k8c h PHE 309 N 7.65 0.00 -3.65 5.12 0.04 -1.96 -3.42 116.94 120.72 1k8c h PHE 309 Ca -0.37 0.00 -0.74 0.00 2.80 0.00 0.00 57.97 59.66 1k8c h PHE 309 Cb 1.18 0.00 -0.31 0.00 2.20 0.00 0.00 35.95 39.02 1k8c h PHE 309 CO 0.58 0.92 -0.08 1.21 -0.60 0.00 0.00 178.31 180.34 1k8c s ASN 310 N -6.12 6.11 -0.21 2.17 2.47 -1.26 -5.02 114.94 113.08 1k8c s ASN 310 Ca -0.04 -2.94 0.00 0.00 0.42 0.00 0.00 52.86 50.31 1k8c s ASN 310 Cb 0.08 -2.04 0.05 0.00 -1.45 0.00 0.00 41.25 37.90 1k8c s ASN 310 CO 0.82 -0.43 -0.06 -0.62 -3.72 0.00 0.00 177.10 173.10 1k8c s ASP 311 N 1.25 3.47 0.60 -4.21 -1.08 -1.26 -4.99 116.67 110.45 1k8c s ASP 311 Ca 0.20 -0.98 0.31 0.00 -0.52 0.00 0.00 52.55 51.56 1k8c s ASP 311 Cb -0.14 -1.10 1.69 0.00 -1.46 0.00 0.00 42.92 41.92 1k8c s ASP 311 CO -0.07 -0.21 1.94 -0.65 0.52 0.00 0.00 175.17 176.70 1k8c h PRO 312 N 8.01 0.00 -0.18 4.34 0.11 -1.96 0.20 132.00 142.52 1k8c h PRO 312 Ca -0.21 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.88 1k8c h PRO 312 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1k8c h PRO 312 CO 0.42 0.00 0.03 2.35 -0.21 0.00 0.00 178.00 180.59 1k8c h TRP 313 N 0.00 0.26 0.00 0.65 2.91 -1.89 -1.63 115.95 116.25 1k8c h TRP 313 Ca 0.00 -0.01 -0.11 0.00 1.13 0.00 0.00 58.89 59.91 1k8c h TRP 313 Cb 0.43 -0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 28.98 1k8c h TRP 313 CO 0.00 0.24 -0.51 -0.44 -1.03 0.00 0.00 178.44 176.70 1k8c h ASP 314 N 0.26 0.00 -0.07 2.65 3.32 -0.92 0.14 116.42 121.80 1k8c h ASP 314 Ca 0.06 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 1k8c h ASP 314 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1k8c h ASP 314 CO -0.00 0.51 -0.25 -0.50 -1.72 0.00 0.00 179.24 177.28 1k8c h TRP 315 N 0.00 0.39 0.00 4.55 6.55 -1.40 -3.43 115.95 122.61 1k8c h TRP 315 Ca -0.01 -0.16 -0.12 0.00 0.95 0.00 0.00 58.89 59.55 1k8c h TRP 315 Cb 0.91 -0.06 -0.11 0.00 -0.86 0.00 0.00 29.16 29.04 1k8c h TRP 315 CO 0.00 0.87 -0.20 -3.47 -1.05 0.00 0.00 178.44 174.59 1k8c n ASP 316 N -4.49 -1.02 -3.90 -3.49 2.03 -1.07 -5.00 116.55 99.61 1k8c n ASP 316 Ca -0.08 -1.82 -0.29 0.00 0.52 0.00 0.00 54.79 53.12 1k8c n ASP 316 Cb 0.46 0.46 0.02 0.00 -0.72 0.00 0.00 41.12 41.33 1k8c n ASP 316 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1k8c n ASN 317 N -0.93 -3.67 -4.67 1.67 5.03 0.49 -4.92 115.26 108.25 1k8c n ASN 317 Ca -0.15 -0.82 -0.43 0.00 0.87 0.00 0.00 54.58 54.05 1k8c n ASN 317 Cb 0.74 -3.77 -0.02 0.00 -1.02 0.00 0.00 39.78 35.71 1k8c n ASN 317 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1k8c s ILE 318 N -3.42 4.74 0.00 2.41 1.01 -1.14 -4.90 121.20 119.91 1k8c s ILE 318 Ca 0.50 1.98 0.00 0.00 0.00 0.00 0.00 60.65 63.13 1k8c s ILE 318 Cb -0.25 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 37.93 1k8c s ILE 318 CO 0.84 -0.09 1.26 -0.81 0.00 0.00 0.00 174.94 176.13 1k8c n PRO 319 N 5.74 0.73 -0.20 2.79 -0.04 -1.26 -3.09 135.00 139.68 1k8c n PRO 319 Ca 0.10 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.48 1k8c n PRO 319 Cb 0.47 -1.14 0.02 0.00 -0.04 0.00 0.00 33.50 32.82 1k8c n PRO 319 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1k8c h ILE 320 N 0.99 1.21 -0.49 0.52 1.08 -1.94 -3.20 117.51 115.69 1k8c h ILE 320 Ca 0.00 -0.64 -0.21 0.00 -0.39 0.00 0.00 64.86 63.63 1k8c h ILE 320 Cb 0.73 0.59 -0.12 0.00 -3.07 0.00 0.00 36.82 34.95 1k8c h ILE 320 CO 0.00 0.25 0.11 0.49 -0.69 0.00 0.00 178.15 178.31 1k8c n PHE 321 N -4.52 1.56 0.04 1.37 3.72 -1.26 -4.74 117.46 113.63 1k8c n PHE 321 Ca 0.03 -1.45 0.00 0.00 -0.05 0.00 0.00 57.45 55.99 1k8c n PHE 321 Cb 0.14 -0.56 0.00 0.00 -0.94 0.00 0.00 39.48 38.13 1k8c n PHE 321 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04