#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t8c n GLY 2 N 0.00 -1.79 3.76 0.23 0.00 -1.26 -5.01 105.19 101.12 1t8c n GLY 2 Ca 0.00 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.88 1t8c n GLY 2 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1t8c s PHE 3 N 0.00 2.63 0.00 1.61 0.08 -1.26 -5.01 117.98 116.04 1t8c s PHE 3 Ca 0.00 1.50 0.00 0.00 0.12 0.00 0.00 56.93 58.55 1t8c s PHE 3 Cb 0.00 -3.46 0.00 0.00 -0.57 0.00 0.00 43.02 38.99 1t8c s PHE 3 CO 0.00 -1.92 0.00 0.28 -0.10 0.00 0.00 175.22 173.48 1t8c n VAL 4 N -0.94 0.00 -3.80 -0.44 0.31 -1.26 -5.00 118.33 107.19 1t8c n VAL 4 Ca 0.10 0.22 -0.25 0.00 -0.01 0.00 0.00 64.34 64.39 1t8c n VAL 4 Cb 0.48 -1.20 0.03 0.00 -0.91 0.00 0.00 33.84 32.24 1t8c n VAL 4 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1t8c s ASN 6 N -3.94 -0.81 0.00 0.00 3.84 -1.20 -4.98 114.94 107.85 1t8c s ASN 6 Ca 0.27 -0.74 0.06 0.00 0.21 0.00 0.00 52.86 52.67 1t8c s ASN 6 Cb -0.14 1.05 0.05 0.00 -0.55 0.00 0.00 41.25 41.67 1t8c s ASN 6 CO 0.82 -0.05 0.72 1.07 -2.79 0.00 0.00 177.10 176.87 1t8c n THR 7 N 3.25 0.06 -3.72 -5.21 5.66 -1.26 -4.85 114.28 108.21 1t8c n THR 7 Ca 0.12 -0.53 -0.35 0.00 -3.05 0.00 0.00 64.05 60.24 1t8c n THR 7 Cb 0.61 1.09 -0.09 0.00 -1.55 0.00 0.00 70.33 70.39 1t8c n THR 7 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1t8c n PRO 9 N 2.85 0.00 0.00 0.00 -0.04 -1.26 -4.86 135.00 131.69 1t8c n PRO 9 Ca 0.14 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 64.06 1t8c n PRO 9 Cb 0.37 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 1t8c n PRO 9 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1t8c n GLU 10 N -1.88 0.00 -0.31 0.54 1.02 -1.26 -4.85 120.64 113.90 1t8c n GLU 10 Ca 0.00 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.30 1t8c n GLU 10 Cb 0.00 0.00 0.40 0.00 -0.02 0.00 0.00 31.44 31.82 1t8c n GLU 10 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1t8c h LYS 11 N 0.00 0.59 -6.93 3.49 1.57 -1.94 -3.40 116.57 109.96 1t8c h LYS 11 Ca 0.00 -0.04 -0.50 0.00 -1.87 0.00 0.00 60.65 58.24 1t8c h LYS 11 Cb 0.00 -0.13 0.04 0.00 0.08 0.00 0.00 32.23 32.22 1t8c h LYS 11 CO 0.00 0.39 0.49 -1.58 -0.57 0.00 0.00 179.45 178.18 1t8c s TRP 12 N -5.67 3.15 -0.05 -1.35 0.52 -1.25 -3.99 118.94 110.29 1t8c s TRP 12 Ca -0.10 1.58 0.00 0.00 0.02 0.00 0.00 56.10 57.60 1t8c s TRP 12 Cb 0.24 -3.35 0.02 0.00 -1.15 0.00 0.00 33.47 29.23 1t8c s TRP 12 CO 0.80 -1.16 -0.02 0.42 0.02 0.00 0.00 176.95 177.01 1t8c s ILE 13 N -1.42 0.41 0.12 2.03 -1.09 -0.68 -4.45 121.20 116.13 1t8c s ILE 13 Ca 0.56 0.01 0.05 0.00 -2.23 0.00 0.00 60.65 59.03 1t8c s ILE 13 Cb -0.30 -0.50 -0.04 0.00 -1.58 0.00 0.00 42.46 40.05 1t8c s ILE 13 CO 0.38 0.22 0.07 0.21 -1.23 0.00 0.00 174.94 174.59 1t8c s ASN 14 N 1.32 5.33 0.00 3.58 3.84 -1.26 0.97 114.94 128.73 1t8c s ASN 14 Ca -0.05 -0.13 0.00 0.00 0.21 0.00 0.00 52.86 52.89 1t8c s ASN 14 Cb -0.13 -1.36 0.00 0.00 -0.55 0.00 0.00 41.25 39.21 1t8c s ASN 14 CO -0.02 0.13 0.00 0.49 -2.79 0.00 0.00 177.10 174.91 1t8c n PHE 15 N 0.16 0.00 -0.26 0.43 3.72 0.16 -4.95 117.46 116.73 1t8c n PHE 15 Ca -0.09 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.37 1t8c n PHE 15 Cb 0.53 0.00 0.19 0.00 -0.94 0.00 0.00 39.48 39.26 1t8c n PHE 15 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1t8c h GLN 16 N 0.00 0.33 0.00 -1.08 1.08 -2.04 -3.39 115.11 110.01 1t8c h GLN 16 Ca 0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1t8c h GLN 16 Cb 0.00 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 1t8c h GLN 16 CO 0.00 0.22 0.00 2.89 -0.95 0.00 0.00 178.83 180.99 1t8c n ARG 17 N -5.09 0.00 -4.29 1.46 0.00 -1.26 -5.14 116.66 102.34 1t8c n ARG 17 Ca 0.15 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.76 1t8c n ARG 17 Cb 0.46 0.00 -0.08 0.00 -0.00 0.00 0.00 32.46 32.84 1t8c n ARG 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 1t8c s LYS 18 N 0.00 2.22 0.32 2.89 -2.85 -1.26 -3.23 119.74 117.83 1t8c s LYS 18 Ca 0.00 -1.36 0.07 0.00 -1.00 0.00 0.00 55.97 53.68 1t8c s LYS 18 Cb 0.00 -2.17 -0.06 0.00 -2.06 0.00 0.00 37.83 33.54 1t8c s LYS 18 CO 0.00 0.39 -0.04 0.00 0.10 0.00 0.00 175.35 175.80 1t8c s TYR 20 N -2.93 2.00 -0.42 0.00 1.51 0.27 -1.03 117.35 116.74 1t8c s TYR 20 Ca 0.32 -0.68 -0.17 0.00 -1.01 0.00 0.00 57.07 55.53 1t8c s TYR 20 Cb 0.05 -1.36 0.03 0.00 -0.11 0.00 0.00 41.96 40.57 1t8c s TYR 20 CO 0.14 -0.26 0.40 -0.47 -1.11 0.00 0.00 175.55 174.25 1t8c s TYR 21 N 0.19 3.19 -0.24 2.71 5.04 0.27 -1.68 117.35 126.83 1t8c s TYR 21 Ca -0.09 -0.49 -0.13 0.00 -2.44 0.00 0.00 57.07 53.92 1t8c s TYR 21 Cb -0.14 -2.84 -0.04 0.00 0.35 0.00 0.00 41.96 39.28 1t8c s TYR 21 CO 0.04 -0.69 0.27 -0.06 -1.34 0.00 0.00 175.55 173.77 1t8c s PHE 22 N 1.98 3.30 0.32 4.97 0.40 -1.26 -0.44 117.98 127.25 1t8c s PHE 22 Ca 0.09 0.34 0.03 0.00 -0.60 0.00 0.00 56.93 56.79 1t8c s PHE 22 Cb -0.18 -2.41 -0.04 0.00 0.51 0.00 0.00 43.02 40.90 1t8c s PHE 22 CO 0.12 -0.05 0.13 0.20 0.70 0.00 0.00 175.22 176.32 1t8c s GLY 23 N 1.29 2.11 0.03 4.36 0.00 0.73 -4.76 107.32 111.08 1t8c s GLY 23 Ca 0.12 -1.72 -0.02 0.00 0.00 0.00 0.00 44.72 43.10 1t8c s GLY 23 CO 0.08 -1.66 -0.00 1.25 0.00 0.00 0.00 173.10 172.76 1t8c s LYS 24 N -3.84 0.43 0.00 2.90 2.20 -1.26 -1.03 119.74 119.13 1t8c s LYS 24 Ca 0.34 -0.76 0.00 0.00 -0.36 0.00 0.00 55.97 55.19 1t8c s LYS 24 Cb 0.05 0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.53 1t8c s LYS 24 CO 0.16 -0.08 0.00 0.41 -0.36 0.00 0.00 175.35 175.48 1t8c n GLY 25 N 1.12 -2.34 0.00 5.54 0.00 -0.31 -4.82 105.19 104.38 1t8c n GLY 25 Ca -0.21 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1t8c n GLY 25 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1t8c n THR 26 N 0.08 0.00 0.00 2.61 -1.04 -1.26 -4.90 114.28 109.77 1t8c n THR 26 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1t8c n THR 26 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1t8c n THR 26 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1t8c n LYS 27 N 0.00 0.00 -1.56 -2.82 4.76 -1.26 -5.01 118.16 112.28 1t8c n LYS 27 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1t8c n LYS 27 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1t8c n LYS 27 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1t8c n GLN 28 N 0.00 2.31 0.01 1.97 3.00 -1.26 -4.61 117.38 118.79 1t8c n GLN 28 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 1t8c n GLN 28 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.17 1t8c n GLN 28 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.06 179.41 1t8c h TRP 29 N 0.78 0.08 -0.56 1.08 7.01 -1.99 -2.28 115.95 120.08 1t8c h TRP 29 Ca 0.00 -0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.13 1t8c h TRP 29 Cb 0.00 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.01 1t8c h TRP 29 CO 0.00 0.15 0.39 -0.39 -2.79 0.00 0.00 178.44 175.79 1t8c h VAL 30 N -0.01 0.79 -0.04 2.65 -1.51 -1.97 0.19 116.25 116.35 1t8c h VAL 30 Ca 0.02 -0.05 -0.15 0.00 -1.23 0.00 0.00 66.70 65.29 1t8c h VAL 30 Cb 0.09 0.63 -0.01 0.00 -2.13 0.00 0.00 31.29 29.87 1t8c h VAL 30 CO -0.00 0.03 -0.64 -0.74 -1.23 0.00 0.00 177.57 174.98 1t8c h HIS 31 N 0.14 0.23 -0.03 5.19 2.76 -1.82 -2.22 115.15 119.41 1t8c h HIS 31 Ca 0.26 -0.09 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 1t8c h HIS 31 Cb 0.86 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 29.78 1t8c h HIS 31 CO -0.00 0.77 -0.05 0.00 -1.30 0.00 0.00 177.93 177.35 1t8c h ALA 32 N 1.21 0.05 -0.88 5.26 0.00 -0.19 -0.48 119.26 124.23 1t8c h ALA 32 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1t8c h ALA 32 Cb 1.16 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1t8c h ALA 32 CO 0.10 -0.14 0.56 0.07 0.00 0.00 0.00 179.25 179.84 1t8c h ARG 33 N -0.42 1.16 0.00 0.00 -0.00 -1.35 -0.82 114.38 112.95 1t8c h ARG 33 Ca 0.00 -0.08 -0.11 0.00 -0.00 0.00 0.00 59.98 59.79 1t8c h ARG 33 Cb 0.60 -0.26 -0.02 0.00 -0.00 0.00 0.00 29.97 30.30 1t8c h ARG 33 CO 0.01 0.78 -0.52 -0.92 -0.00 0.00 0.00 179.97 179.33 1t8c h TYR 34 N 1.19 0.00 -0.15 4.08 5.03 -1.38 -1.66 116.97 124.08 1t8c h TYR 34 Ca 0.32 0.00 -0.21 0.00 2.58 0.00 0.00 58.73 61.41 1t8c h TYR 34 Cb -0.11 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.18 1t8c h TYR 34 CO 0.00 0.52 -0.74 0.00 -1.32 0.00 0.00 178.16 176.62 1t8c h ALA 35 N 1.48 0.30 0.00 1.82 0.00 0.02 -2.13 119.26 120.75 1t8c h ALA 35 Ca -0.01 -0.59 -0.13 0.00 0.00 0.00 0.00 54.91 54.19 1t8c h ALA 35 Cb 1.03 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1t8c h ALA 35 CO 0.07 0.65 -0.61 0.00 0.00 0.00 0.00 179.25 179.35 1t8c h ASP 37 N 0.00 0.00 -0.99 0.00 3.58 -1.27 0.11 116.42 117.86 1t8c h ASP 37 Ca -0.01 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.49 1t8c h ASP 37 Cb 1.27 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.26 1t8c h ASP 37 CO 0.08 0.38 0.64 0.44 -2.88 0.00 0.00 179.24 177.90 1t8c h ASP 38 N 0.00 1.06 0.00 2.28 5.19 -1.27 -3.44 116.42 120.24 1t8c h ASP 38 Ca -0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1t8c h ASP 38 Cb 1.05 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.32 1t8c h ASP 38 CO 0.05 0.71 0.00 1.15 -3.12 0.00 0.00 179.24 178.03 1t8c n MET 39 N -4.45 0.00 0.00 3.56 0.00 -1.22 -5.07 117.12 109.94 1t8c n MET 39 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.84 1t8c n MET 39 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.34 1t8c n MET 39 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1t8c n GLU 40 N 0.00 0.00 0.00 3.17 -0.58 -1.08 -5.00 120.64 117.15 1t8c n GLU 40 Ca 0.00 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1t8c n GLU 40 Cb 0.00 -0.67 0.00 0.00 -0.57 0.00 0.00 31.44 30.20 1t8c n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1t8c n GLY 41 N -0.27 -0.23 3.42 0.62 0.00 0.00 -4.82 105.19 103.91 1t8c n GLY 41 Ca 0.00 0.39 -0.10 0.00 0.00 0.00 0.00 46.02 46.31 1t8c n GLY 41 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1t8c s GLN 42 N 0.61 1.23 -0.33 1.61 0.74 0.29 -4.48 119.66 119.34 1t8c s GLN 42 Ca 0.00 -0.76 -0.29 0.00 0.05 0.00 0.00 55.36 54.36 1t8c s GLN 42 Cb 0.00 0.50 0.00 0.00 1.10 0.00 0.00 33.01 34.61 1t8c s GLN 42 CO 0.00 -0.51 1.40 -1.17 -0.55 0.00 0.00 175.29 174.47 1t8c s LEU 43 N -2.83 3.75 0.00 3.68 2.96 -1.26 0.43 118.68 125.41 1t8c s LEU 43 Ca 0.06 1.12 0.00 0.00 -0.22 0.00 0.00 54.13 55.09 1t8c s LEU 43 Cb 0.00 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.15 1t8c s LEU 43 CO -0.08 -1.26 0.22 1.33 -1.32 0.00 0.00 176.35 175.24 1t8c n VAL 44 N 6.62 0.00 -3.17 1.68 0.24 -1.26 -3.47 118.33 118.97 1t8c n VAL 44 Ca 0.16 0.34 -0.14 0.00 -2.04 0.00 0.00 64.34 62.66 1t8c n VAL 44 Cb 0.47 -0.46 0.07 0.00 -1.47 0.00 0.00 33.84 32.46 1t8c n VAL 44 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1t8c n SER 45 N -2.04 -2.31 -4.47 -1.34 2.88 -1.26 -4.56 113.62 100.52 1t8c n SER 45 Ca 0.00 -0.52 -0.52 0.00 -1.33 0.00 0.00 58.87 56.50 1t8c n SER 45 Cb 0.00 -4.35 -0.05 0.00 -0.75 0.00 0.00 64.21 59.06 1t8c n SER 45 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1t8c n ILE 46 N -3.55 1.14 -0.34 2.46 -0.00 -1.26 -4.80 119.36 113.01 1t8c n ILE 46 Ca -0.23 -0.29 0.00 0.00 -0.00 0.00 0.00 62.75 62.24 1t8c n ILE 46 Cb 0.64 -0.16 0.00 0.00 -0.00 0.00 0.00 39.64 40.12 1t8c n ILE 46 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1t8c n HIS 47 N 0.75 0.00 -4.21 4.28 1.44 -1.26 -4.89 115.22 111.32 1t8c n HIS 47 Ca 0.18 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.56 1t8c n HIS 47 Cb 0.19 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.15 1t8c n HIS 47 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1t8c s SER 48 N -0.07 3.36 0.56 4.39 0.01 -1.26 -4.87 113.70 115.82 1t8c s SER 48 Ca 0.00 -0.58 0.40 0.00 1.31 0.00 0.00 55.95 57.07 1t8c s SER 48 Cb 0.00 -1.52 1.55 0.00 0.21 0.00 0.00 66.02 66.26 1t8c s SER 48 CO 0.00 0.02 1.69 -0.65 0.41 0.00 0.00 173.24 174.71 1t8c h PRO 49 N 7.81 0.00 -0.07 12.44 0.11 -1.98 0.55 132.00 150.86 1t8c h PRO 49 Ca -0.42 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.60 1t8c h PRO 49 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1t8c h PRO 49 CO 0.61 0.00 -0.30 1.49 -0.21 0.00 0.00 178.00 179.60 1t8c h GLU 50 N 0.00 0.32 -0.46 1.05 4.81 -1.97 -1.08 114.58 117.25 1t8c h GLU 50 Ca 0.65 -0.25 -0.06 0.00 -0.13 0.00 0.00 59.36 59.57 1t8c h GLU 50 Cb 2.73 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 32.14 1t8c h GLU 50 CO -0.01 0.89 0.06 0.93 -0.73 0.00 0.00 179.01 180.16 1t8c h GLU 51 N -0.18 0.78 -0.60 1.92 5.08 -0.40 0.49 114.58 121.67 1t8c h GLU 51 Ca -0.02 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.03 1t8c h GLU 51 Cb 0.95 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 1t8c h GLU 51 CO 0.06 0.80 -0.01 -0.56 -1.00 0.00 0.00 179.01 178.31 1t8c h GLN 52 N 0.64 1.06 -0.20 2.33 -0.00 -1.12 -2.24 115.11 115.58 1t8c h GLN 52 Ca 0.14 -0.34 -0.12 0.00 -0.00 0.00 0.00 58.65 58.34 1t8c h GLN 52 Cb 0.41 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.48 27.78 1t8c h GLN 52 CO 0.01 1.04 -0.37 0.22 -0.00 0.00 0.00 178.83 179.73 1t8c h ASP 53 N 0.96 0.46 0.12 0.06 3.58 -0.97 -0.04 116.42 120.59 1t8c h ASP 53 Ca 0.17 -0.19 -0.00 0.00 0.42 0.00 0.00 57.03 57.43 1t8c h ASP 53 Cb 0.57 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.49 1t8c h ASP 53 CO 0.03 0.79 -0.07 -0.26 -2.88 0.00 0.00 179.24 176.85 1t8c h PHE 54 N 0.37 -0.19 -0.05 0.28 0.04 0.47 0.30 116.94 118.16 1t8c h PHE 54 Ca 0.04 -0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.62 1t8c h PHE 54 Cb 0.82 0.07 -0.00 0.00 2.20 0.00 0.00 35.95 39.03 1t8c h PHE 54 CO 0.03 -0.12 -0.78 1.37 -0.60 0.00 0.00 178.31 178.21 1t8c h LEU 55 N -0.19 0.44 -0.89 1.54 8.10 -1.40 -0.49 115.31 122.42 1t8c h LEU 55 Ca -0.01 -0.31 -0.00 0.00 0.11 0.00 0.00 57.88 57.67 1t8c h LEU 55 Cb 0.16 -0.13 -0.04 0.00 -0.44 0.00 0.00 40.66 40.20 1t8c h LEU 55 CO 0.01 1.06 0.55 0.74 -4.11 0.00 0.00 178.44 176.69 1t8c h THR 56 N 0.24 1.24 -0.03 0.15 2.02 -0.75 0.64 112.91 116.42 1t8c h THR 56 Ca -0.04 -0.51 -0.20 0.00 0.77 0.00 0.00 66.41 66.43 1t8c h THR 56 Cb 1.37 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1t8c h THR 56 CO 0.13 0.25 -0.84 0.11 0.37 0.00 0.00 175.52 175.54 1t8c h LYS 57 N 1.22 0.36 -0.14 6.66 6.56 -0.33 -3.01 116.57 127.90 1t8c h LYS 57 Ca 0.32 -0.35 -0.06 0.00 -1.06 0.00 0.00 60.65 59.50 1t8c h LYS 57 Cb -0.07 0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 31.66 1t8c h LYS 57 CO -0.06 1.02 -0.20 1.25 -2.06 0.00 0.00 179.45 179.39 1t8c h HIS 58 N 0.22 0.26 -2.19 -1.35 2.76 -0.05 -3.38 115.15 111.41 1t8c h HIS 58 Ca -0.05 -0.04 -0.54 0.00 -2.20 0.00 0.00 60.37 57.54 1t8c h HIS 58 Cb 1.45 -0.07 -0.08 0.00 1.55 0.00 0.00 27.41 30.27 1t8c h HIS 58 CO 0.05 0.43 1.12 0.00 -1.30 0.00 0.00 177.93 178.24 1t8c s ALA 59 N -4.58 2.67 0.00 5.26 0.00 0.21 -4.91 121.76 120.42 1t8c s ALA 59 Ca -0.05 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.53 1t8c s ALA 59 Cb 0.15 -4.29 0.00 0.00 0.00 0.00 0.00 23.12 18.98 1t8c s ALA 59 CO 0.74 -3.40 0.65 0.43 0.00 0.00 0.00 175.76 174.19 1t8c n SER 60 N 9.74 0.00 -0.05 0.00 7.64 -1.26 -4.50 113.62 125.19 1t8c n SER 60 Ca 0.08 0.70 0.03 0.00 1.01 0.00 0.00 58.87 60.68 1t8c n SER 60 Cb 0.49 -0.27 0.04 0.00 -1.01 0.00 0.00 64.21 63.46 1t8c n SER 60 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1t8c n HIS 61 N -1.32 0.00 -3.72 1.43 8.25 -1.26 -4.96 115.22 113.64 1t8c n HIS 61 Ca 0.00 -0.54 -0.28 0.00 -0.26 0.00 0.00 57.72 56.63 1t8c n HIS 61 Cb 0.00 -0.07 -0.16 0.00 1.12 0.00 0.00 29.99 30.88 1t8c n HIS 61 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1t8c s THR 62 N -1.32 0.60 1.13 1.59 -4.23 -1.26 -4.85 115.64 107.31 1t8c s THR 62 Ca 0.08 -0.82 -0.16 0.00 -1.18 0.00 0.00 61.69 59.62 1t8c s THR 62 Cb 0.07 -1.22 0.17 0.00 1.34 0.00 0.00 72.50 72.87 1t8c s THR 62 CO 0.01 -0.37 0.42 0.61 -0.54 0.00 0.00 174.62 174.75 1t8c n GLY 63 N 5.00 -2.27 3.69 3.99 0.00 -1.26 -4.13 105.19 110.22 1t8c n GLY 63 Ca -0.07 -0.93 -0.23 0.00 0.00 0.00 0.00 46.02 44.79 1t8c n GLY 63 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1t8c s SER 64 N -2.07 4.72 -0.16 1.61 0.15 -1.23 -0.62 113.70 116.10 1t8c s SER 64 Ca 0.61 -0.62 -0.06 0.00 0.70 0.00 0.00 55.95 56.58 1t8c s SER 64 Cb -0.18 -0.90 -0.04 0.00 -1.71 0.00 0.00 66.02 63.20 1t8c s SER 64 CO 0.66 -0.07 0.04 0.26 1.20 0.00 0.00 173.24 175.32 1t8c s TRP 65 N -2.32 3.21 0.37 3.44 0.51 -1.07 -3.20 118.94 119.89 1t8c s TRP 65 Ca 0.33 0.05 0.08 0.00 -2.12 0.00 0.00 56.10 54.44 1t8c s TRP 65 Cb -0.06 -2.00 -0.04 0.00 -0.81 0.00 0.00 33.47 30.56 1t8c s TRP 65 CO 0.21 0.21 0.17 0.96 -0.51 0.00 0.00 176.95 177.99 1t8c s ILE 66 N 0.08 2.79 -0.73 2.03 -4.36 -1.26 -3.89 121.20 115.86 1t8c s ILE 66 Ca 0.04 -1.66 -0.07 0.00 -0.26 0.00 0.00 60.65 58.69 1t8c s ILE 66 Cb -0.12 -2.98 -0.15 0.00 1.25 0.00 0.00 42.46 40.45 1t8c s ILE 66 CO 0.01 -0.12 2.94 0.61 0.24 0.00 0.00 174.94 178.62 1t8c n GLY 67 N -1.21 3.32 3.09 6.27 0.00 -1.23 -4.64 105.19 110.81 1t8c n GLY 67 Ca -0.02 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.54 1t8c n GLY 67 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1t8c s LEU 68 N 0.08 1.82 -0.04 0.99 1.98 -1.26 -1.71 118.68 120.53 1t8c s LEU 68 Ca 0.59 -0.45 -0.02 0.00 -2.89 0.00 0.00 54.13 51.37 1t8c s LEU 68 Cb 0.21 -1.14 0.03 0.00 0.66 0.00 0.00 46.19 45.95 1t8c s LEU 68 CO -0.03 0.05 0.04 -0.60 -1.89 0.00 0.00 176.35 173.93 1t8c s ARG 69 N 0.77 0.05 0.44 1.98 3.52 0.98 -3.52 118.95 123.17 1t8c s ARG 69 Ca -0.11 0.30 -0.12 0.00 -0.13 0.00 0.00 55.73 55.67 1t8c s ARG 69 Cb -0.16 -0.55 -0.07 0.00 -1.56 0.00 0.00 34.95 32.62 1t8c s ARG 69 CO 0.02 -0.30 0.84 1.21 -0.81 0.00 0.00 175.30 176.26 1t8c s ASN 70 N 1.96 6.56 0.00 -2.12 3.84 -0.17 -0.63 114.94 124.36 1t8c s ASN 70 Ca 0.03 1.27 0.00 0.00 0.21 0.00 0.00 52.86 54.37 1t8c s ASN 70 Cb -0.12 -2.38 0.00 0.00 -0.55 0.00 0.00 41.25 38.20 1t8c s ASN 70 CO -0.03 -0.46 0.71 0.18 -2.79 0.00 0.00 177.10 174.72 1t8c n LEU 71 N -1.37 0.12 -3.50 3.21 4.32 -0.98 -4.67 117.00 114.12 1t8c n LEU 71 Ca 0.04 0.80 -0.28 0.00 -0.02 0.00 0.00 56.01 56.55 1t8c n LEU 71 Cb 0.54 -0.40 -0.11 0.00 -1.62 0.00 0.00 43.42 41.82 1t8c n LEU 71 CO 0.47 -0.40 -0.28 1.51 -1.22 0.00 0.00 177.39 177.47 1t8c s ASP 72 N -2.13 2.46 0.00 -1.43 -4.77 -1.26 -4.95 116.67 104.59 1t8c s ASP 72 Ca 0.00 -2.85 0.00 0.00 -3.30 0.00 0.00 52.55 46.40 1t8c s ASP 72 Cb 0.00 -0.62 0.00 0.00 -1.09 0.00 0.00 42.92 41.21 1t8c s ASP 72 CO 0.00 -0.21 0.00 0.18 0.70 0.00 0.00 175.17 175.84 1t8c n LEU 73 N 3.17 0.00 -0.15 2.11 4.32 -1.23 -1.55 117.00 123.67 1t8c n LEU 73 Ca 0.21 0.00 0.05 0.00 -0.02 0.00 0.00 56.01 56.25 1t8c n LEU 73 Cb 0.42 0.00 0.25 0.00 -1.62 0.00 0.00 43.42 42.47 1t8c n LEU 73 CO 0.14 0.00 0.67 0.29 -1.22 0.00 0.00 177.39 177.26 1t8c n LYS 74 N 0.00 1.19 0.00 3.23 5.02 -1.26 -4.54 118.16 121.80 1t8c n LYS 74 Ca 0.00 -0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.00 1t8c n LYS 74 Cb 0.00 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1t8c n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1t8c n GLY 75 N 0.74 -2.46 3.74 0.72 0.00 -0.60 -4.98 105.19 102.35 1t8c n GLY 75 Ca 0.08 -1.39 -0.39 0.00 0.00 0.00 0.00 46.02 44.32 1t8c n GLY 75 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1t8c s GLU 76 N -1.41 4.37 -0.15 1.61 2.02 -1.26 -4.73 118.70 119.15 1t8c s GLU 76 Ca 0.00 0.76 -0.29 0.00 0.02 0.00 0.00 54.97 55.45 1t8c s GLU 76 Cb 0.00 -3.39 -0.02 0.00 0.10 0.00 0.00 34.13 30.82 1t8c s GLU 76 CO 0.00 0.23 1.29 -0.06 0.02 0.00 0.00 175.26 176.74 1t8c s PHE 77 N 0.27 2.80 -0.02 1.61 0.08 -1.26 -2.32 117.98 119.15 1t8c s PHE 77 Ca 0.33 0.96 0.06 0.00 0.12 0.00 0.00 56.93 58.40 1t8c s PHE 77 Cb -0.18 -3.53 -0.02 0.00 -0.57 0.00 0.00 43.02 38.72 1t8c s PHE 77 CO 0.17 -1.83 -0.20 0.42 -0.10 0.00 0.00 175.22 173.67 1t8c s ILE 78 N 3.47 2.59 0.52 0.64 -1.09 0.19 -2.66 121.20 124.87 1t8c s ILE 78 Ca 0.56 -0.98 -0.19 0.00 -2.23 0.00 0.00 60.65 57.81 1t8c s ILE 78 Cb -0.23 -1.99 -0.07 0.00 -1.58 0.00 0.00 42.46 38.60 1t8c s ILE 78 CO 0.16 0.53 1.05 0.26 -1.23 0.00 0.00 174.94 175.71 1t8c s TRP 79 N -0.72 3.00 0.58 3.97 0.52 -0.03 -0.01 118.94 126.25 1t8c s TRP 79 Ca 0.11 1.55 0.27 0.00 0.02 0.00 0.00 56.10 58.06 1t8c s TRP 79 Cb -0.10 -3.05 1.70 0.00 -1.15 0.00 0.00 33.47 30.87 1t8c s TRP 79 CO 0.01 -0.93 2.21 -0.24 0.02 0.00 0.00 176.95 178.01 1t8c h VAL 80 N 1.17 0.59 0.00 4.03 3.04 -1.65 0.27 116.25 123.70 1t8c h VAL 80 Ca -0.49 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 1t8c h VAL 80 Cb 1.22 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 1t8c h VAL 80 CO 0.58 0.00 0.00 -0.67 -1.01 0.00 0.00 177.57 176.47 1t8c n ASP 81 N -3.95 0.00 -0.41 3.17 2.03 -1.26 -4.88 116.55 111.24 1t8c n ASP 81 Ca -0.02 -0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.08 1t8c n ASP 81 Cb 0.14 -0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 1t8c n ASP 81 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1t8c n GLY 82 N 0.92 0.88 2.73 0.27 0.00 0.96 -5.09 105.19 105.87 1t8c n GLY 82 Ca 0.14 -0.46 -0.19 0.00 0.00 0.00 0.00 46.02 45.51 1t8c n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t8c s SER 83 N -2.66 0.86 0.62 1.61 0.01 -1.22 -4.91 113.70 108.02 1t8c s SER 83 Ca 0.00 0.03 -0.18 0.00 1.31 0.00 0.00 55.95 57.10 1t8c s SER 83 Cb 0.00 -0.19 -0.03 0.00 0.21 0.00 0.00 66.02 66.01 1t8c s SER 83 CO 0.00 -0.19 1.14 0.00 0.41 0.00 0.00 173.24 174.60 1t8c n HIS 84 N 4.83 1.40 -1.14 2.43 1.44 -1.26 -0.85 115.22 122.08 1t8c n HIS 84 Ca -0.13 0.43 -0.34 0.00 -2.01 0.00 0.00 57.72 55.66 1t8c n HIS 84 Cb 0.50 -2.21 0.10 0.00 0.12 0.00 0.00 29.99 28.51 1t8c n HIS 84 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 1t8c n VAL 85 N -1.80 1.78 0.00 0.61 0.31 -1.09 -4.81 118.33 113.33 1t8c n VAL 85 Ca 0.15 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1t8c n VAL 85 Cb 0.48 -0.97 0.00 0.00 -0.91 0.00 0.00 33.84 32.44 1t8c n VAL 85 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1t8c n ASP 86 N -1.91 2.60 -0.06 4.52 8.00 -1.26 -4.94 116.55 123.50 1t8c n ASP 86 Ca 0.11 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.50 1t8c n ASP 86 Cb 0.51 0.05 -0.04 0.00 -0.02 0.00 0.00 41.12 41.61 1t8c n ASP 86 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1t8c n TYR 87 N -2.02 0.00 -1.56 1.24 4.02 -1.26 -5.14 117.16 112.44 1t8c n TYR 87 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.97 1t8c n TYR 87 Cb 0.31 -0.42 -0.04 0.00 -0.02 0.00 0.00 39.34 39.17 1t8c n TYR 87 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1t8c n SER 88 N -3.33 -8.42 0.00 7.72 3.41 -1.26 -4.98 113.62 106.76 1t8c n SER 88 Ca -0.22 1.75 0.00 0.00 -0.26 0.00 0.00 58.87 60.14 1t8c n SER 88 Cb 0.67 -5.20 0.00 0.00 -0.26 0.00 0.00 64.21 59.42 1t8c n SER 88 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1t8c n ASN 89 N -3.44 0.00 -4.19 4.04 3.02 -1.26 -5.05 115.26 108.38 1t8c n ASN 89 Ca -0.04 0.00 -0.49 0.00 -0.03 0.00 0.00 54.58 54.01 1t8c n ASN 89 Cb 0.59 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.63 1t8c n ASN 89 CO 0.00 0.00 0.00 -2.67 -2.62 0.00 0.00 177.26 171.97 1t8c n TRP 90 N 0.00 0.86 -1.64 3.10 4.27 -1.24 -3.61 117.44 119.17 1t8c n TRP 90 Ca 0.00 0.57 -0.64 0.00 -3.89 0.00 0.00 57.50 53.54 1t8c n TRP 90 Cb 0.00 -2.24 -0.09 0.00 -1.36 0.00 0.00 31.31 27.62 1t8c n TRP 90 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1t8c n ALA 91 N 8.49 -2.28 1.17 -1.67 0.00 0.14 -4.83 120.51 121.53 1t8c n ALA 91 Ca 0.58 0.54 0.14 0.00 0.00 0.00 0.00 53.44 54.69 1t8c n ALA 91 Cb -0.01 -1.85 0.54 0.00 0.00 0.00 0.00 19.45 18.14 1t8c n ALA 91 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1t8c n PRO 92 N 2.98 0.26 -0.10 0.00 -0.04 -1.26 -3.70 135.00 133.14 1t8c n PRO 92 Ca 0.26 -0.08 0.01 0.00 -0.04 0.00 0.00 63.50 63.66 1t8c n PRO 92 Cb -0.00 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.01 1t8c n PRO 92 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1t8c n GLY 93 N 1.41 0.75 2.27 0.55 0.00 -1.26 -4.23 105.19 104.68 1t8c n GLY 93 Ca 0.10 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 1t8c n GLY 93 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1t8c n GLU 94 N -0.03 0.78 -1.58 1.61 1.02 -1.24 -5.10 120.64 116.11 1t8c n GLU 94 Ca 0.04 -3.37 -0.46 0.00 -0.02 0.00 0.00 57.16 53.35 1t8c n GLU 94 Cb 0.26 -1.43 -0.04 0.00 -0.02 0.00 0.00 31.44 30.21 1t8c n GLU 94 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1t8c n PRO 95 N 1.68 1.84 -2.28 3.49 -0.02 -1.26 -4.91 135.00 133.54 1t8c n PRO 95 Ca 0.24 0.56 -0.42 0.00 -2.02 0.00 0.00 63.50 61.85 1t8c n PRO 95 Cb 0.50 -2.91 -0.03 0.00 -0.02 0.00 0.00 33.50 31.05 1t8c n PRO 95 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1t8c s THR 96 N 7.03 3.93 0.13 3.45 2.01 -1.26 -4.83 115.64 126.10 1t8c s THR 96 Ca 1.01 1.22 0.00 0.00 0.31 0.00 0.00 61.69 64.23 1t8c s THR 96 Cb -0.54 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.18 1t8c s THR 96 CO 0.42 -0.05 0.00 -1.20 -0.69 0.00 0.00 174.62 173.10 1t8c n SER 97 N 6.02 0.27 -3.75 3.53 7.64 -1.26 -5.03 113.62 121.05 1t8c n SER 97 Ca 0.14 0.21 -0.30 0.00 1.01 0.00 0.00 58.87 59.93 1t8c n SER 97 Cb 0.44 0.04 -0.14 0.00 -1.01 0.00 0.00 64.21 63.54 1t8c n SER 97 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1t8c s ARG 98 N -2.00 0.92 0.07 1.43 3.52 -1.26 -5.10 118.95 116.53 1t8c s ARG 98 Ca 0.00 -1.39 -0.01 0.00 -0.13 0.00 0.00 55.73 54.20 1t8c s ARG 98 Cb 0.00 -2.17 0.00 0.00 -1.56 0.00 0.00 34.95 31.23 1t8c s ARG 98 CO 0.00 -1.03 0.11 -1.13 -0.81 0.00 0.00 175.30 172.43 1t8c n SER 99 N 4.44 -0.30 0.27 -2.12 3.41 -1.26 -5.03 113.62 113.03 1t8c n SER 99 Ca 0.02 -1.36 0.15 0.00 -0.26 0.00 0.00 58.87 57.42 1t8c n SER 99 Cb 0.40 0.55 0.70 0.00 -0.26 0.00 0.00 64.21 65.60 1t8c n SER 99 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1t8c h GLN 100 N 0.00 0.00 0.00 4.33 1.08 -1.98 -3.49 115.11 115.05 1t8c h GLN 100 Ca -0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1t8c h GLN 100 Cb 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1t8c h GLN 100 CO 0.07 0.09 0.00 0.41 -0.95 0.00 0.00 178.83 178.45 1t8c n GLY 101 N -0.24 0.57 3.01 3.46 0.00 -1.26 -4.82 105.19 105.92 1t8c n GLY 101 Ca -0.01 -1.86 0.02 0.00 0.00 0.00 0.00 46.02 44.18 1t8c n GLY 101 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1t8c s GLU 102 N -1.09 0.43 0.00 1.61 -1.05 -1.26 -0.49 118.70 116.85 1t8c s GLU 102 Ca 0.00 -0.04 0.04 0.00 -0.15 0.00 0.00 54.97 54.82 1t8c s GLU 102 Cb 0.00 0.08 -0.03 0.00 -0.44 0.00 0.00 34.13 33.74 1t8c s GLU 102 CO 0.00 -0.66 0.27 -3.47 0.95 0.00 0.00 175.26 172.35 1t8c n ASP 103 N 4.30 0.43 -3.77 0.83 2.03 -1.24 -3.52 116.55 115.61 1t8c n ASP 103 Ca 0.08 -0.71 -0.12 0.00 0.52 0.00 0.00 54.79 54.55 1t8c n ASP 103 Cb 0.59 0.81 -0.08 0.00 -0.72 0.00 0.00 41.12 41.72 1t8c n ASP 103 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1t8c s VAL 105 N -1.81 5.26 0.39 0.00 1.01 -1.23 -2.35 120.40 121.67 1t8c s VAL 105 Ca -0.10 0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.07 1t8c s VAL 105 Cb -0.04 -3.30 -0.07 0.00 0.00 0.00 0.00 36.38 32.97 1t8c s VAL 105 CO 0.01 0.58 0.03 0.00 0.00 0.00 0.00 175.10 175.72 1t8c s MET 106 N -0.72 2.00 -0.09 2.72 0.23 -0.54 -4.18 119.30 118.73 1t8c s MET 106 Ca 0.13 -1.98 0.03 0.00 -1.03 0.00 0.00 55.69 52.83 1t8c s MET 106 Cb -0.12 -1.75 0.01 0.00 -1.53 0.00 0.00 34.83 31.44 1t8c s MET 106 CO 0.03 -0.01 -0.17 1.41 -2.03 0.00 0.00 175.02 174.25 1t8c s MET 107 N -3.73 2.31 0.00 3.16 1.75 -1.19 0.23 119.30 121.82 1t8c s MET 107 Ca 0.36 -0.62 0.00 0.00 -1.25 0.00 0.00 55.69 54.18 1t8c s MET 107 Cb 0.06 -1.84 0.00 0.00 2.84 0.00 0.00 34.83 35.90 1t8c s MET 107 CO 0.19 0.07 0.00 -2.13 -0.65 0.00 0.00 175.02 172.49 1t8c n ARG 108 N 3.78 -0.27 -1.70 4.11 0.63 -0.60 -3.54 116.66 119.07 1t8c n ARG 108 Ca -0.21 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.72 1t8c n ARG 108 Cb 0.52 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.43 1t8c n ARG 108 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1t8c n GLY 109 N -0.68 -4.99 5.08 5.14 0.00 -1.26 -4.22 105.19 104.26 1t8c n GLY 109 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1t8c n GLY 109 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t8c n SER 110 N 1.38 0.00 0.00 1.61 7.64 -1.26 -3.20 113.62 119.79 1t8c n SER 110 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1t8c n SER 110 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1t8c n SER 110 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t8c n GLY 111 N 0.00 0.00 0.00 0.23 0.00 -1.26 -5.08 105.19 99.08 1t8c n GLY 111 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1t8c n GLY 111 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1t8c n ARG 112 N 0.00 0.58 -4.06 1.61 0.00 -1.20 -4.65 116.66 108.95 1t8c n ARG 112 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.63 1t8c n ARG 112 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 32.46 32.41 1t8c n ARG 112 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1t8c s TRP 113 N 1.15 2.90 -0.05 2.89 0.51 -1.24 -1.56 118.94 123.54 1t8c s TRP 113 Ca 0.00 -0.24 -0.02 0.00 -2.12 0.00 0.00 56.10 53.72 1t8c s TRP 113 Cb 0.00 -1.52 0.03 0.00 -0.81 0.00 0.00 33.47 31.17 1t8c s TRP 113 CO 0.00 0.41 0.05 -0.80 -0.51 0.00 0.00 176.95 176.10 1t8c s ASN 114 N -3.86 1.30 -0.33 2.95 -0.87 0.13 0.26 114.94 114.52 1t8c s ASN 114 Ca 0.36 0.00 -0.28 0.00 -1.57 0.00 0.00 52.86 51.37 1t8c s ASN 114 Cb -0.06 -0.20 0.02 0.00 -0.02 0.00 0.00 41.25 40.99 1t8c s ASN 114 CO 0.24 -0.25 1.03 -0.62 -2.57 0.00 0.00 177.10 174.93 1t8c s ASP 115 N 2.13 6.85 0.16 -1.22 2.15 -1.26 -1.47 116.67 124.01 1t8c s ASP 115 Ca 0.05 0.91 -0.20 0.00 0.43 0.00 0.00 52.55 53.74 1t8c s ASP 115 Cb -0.12 -2.52 0.05 0.00 -0.30 0.00 0.00 42.92 40.03 1t8c s ASP 115 CO -0.04 -0.87 0.53 0.00 -0.17 0.00 0.00 175.17 174.63 1t8c s ALA 116 N 3.60 -1.28 0.40 3.66 0.00 -0.99 -4.87 121.76 122.27 1t8c s ALA 116 Ca 0.43 0.18 -0.24 0.00 0.00 0.00 0.00 51.96 52.33 1t8c s ALA 116 Cb -0.12 0.82 -0.11 0.00 0.00 0.00 0.00 23.12 23.71 1t8c s ALA 116 CO 0.16 -0.75 0.90 0.34 0.00 0.00 0.00 175.76 176.41 1t8c n PHE 117 N -0.33 0.79 -1.98 0.00 7.35 0.36 -3.06 117.46 120.59 1t8c n PHE 117 Ca -0.15 0.60 -0.42 0.00 -0.76 0.00 0.00 57.45 56.71 1t8c n PHE 117 Cb 0.64 -2.17 0.00 0.00 0.35 0.00 0.00 39.48 38.30 1t8c n PHE 117 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1t8c n ASP 119 N 6.02 4.79 -2.81 0.00 -0.08 -1.26 -4.73 116.55 118.48 1t8c n ASP 119 Ca 0.49 -3.71 -0.02 0.00 -1.51 0.00 0.00 54.79 50.04 1t8c n ASP 119 Cb 0.40 -0.53 -0.01 0.00 2.34 0.00 0.00 41.12 43.31 1t8c n ASP 119 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1t8c n ARG 120 N -0.39 -2.99 0.00 -0.67 0.00 -1.26 -4.99 116.66 106.35 1t8c n ARG 120 Ca 0.37 2.45 0.00 0.00 -0.00 0.00 0.00 57.85 60.67 1t8c n ARG 120 Cb 0.54 -4.04 0.00 0.00 0.00 0.00 0.00 32.46 28.96 1t8c n ARG 120 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1t8c n LYS 121 N 1.27 3.04 -0.40 -0.14 4.76 -1.26 -5.10 118.16 120.33 1t8c n LYS 121 Ca -0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 1t8c n LYS 121 Cb 0.27 -0.31 0.00 0.00 -1.84 0.00 0.00 35.03 33.15 1t8c n LYS 121 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1t8c n LEU 122 N -0.46 0.00 -0.27 -0.35 4.32 -1.26 -4.80 117.00 114.17 1t8c n LEU 122 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1t8c n LEU 122 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1t8c n LEU 122 CO 0.00 -0.03 0.14 0.61 -1.22 0.00 0.00 177.39 176.89 1t8c n GLY 123 N 5.00 0.94 2.86 -0.72 0.00 -1.19 -4.81 105.19 107.26 1t8c n GLY 123 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1t8c n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t8c s ALA 124 N 0.00 0.18 -0.27 4.61 0.00 0.21 -1.17 121.76 125.32 1t8c s ALA 124 Ca 0.00 0.05 -0.07 0.00 0.00 0.00 0.00 51.96 51.94 1t8c s ALA 124 Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 1t8c s ALA 124 CO 0.00 -0.01 0.07 1.67 0.00 0.00 0.00 175.76 177.49 1t8c s TRP 125 N 0.40 3.11 -0.07 0.00 1.48 -0.20 -2.58 118.94 121.08 1t8c s TRP 125 Ca -0.04 -0.73 0.02 0.00 -1.06 0.00 0.00 56.10 54.29 1t8c s TRP 125 Cb -0.06 -2.25 -0.03 0.00 -1.16 0.00 0.00 33.47 29.98 1t8c s TRP 125 CO -0.01 -0.48 -0.11 0.08 -4.06 0.00 0.00 176.95 172.37 1t8c s VAL 126 N 1.55 3.34 0.15 -0.66 1.01 -1.25 -0.19 120.40 124.35 1t8c s VAL 126 Ca 0.04 -0.61 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 1t8c s VAL 126 Cb -0.16 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1t8c s VAL 126 CO 0.03 0.58 0.05 0.00 0.00 0.00 0.00 175.10 175.76 1t8c s ASP 128 N -3.10 2.20 0.24 0.00 -4.77 0.17 0.95 116.67 112.36 1t8c s ASP 128 Ca 0.26 -0.48 -0.18 0.00 -3.30 0.00 0.00 52.55 48.85 1t8c s ASP 128 Cb 0.07 -0.18 0.02 0.00 -1.09 0.00 0.00 42.92 41.74 1t8c s ASP 128 CO 0.04 0.13 0.59 -0.60 0.70 0.00 0.00 175.17 176.03 1t8c s ARG 129 N -1.07 1.59 0.18 2.11 3.52 -0.20 0.11 118.95 125.19 1t8c s ARG 129 Ca 0.06 -1.03 -0.26 0.00 -0.13 0.00 0.00 55.73 54.38 1t8c s ARG 129 Cb -0.08 0.54 -0.08 0.00 -1.56 0.00 0.00 34.95 33.77 1t8c s ARG 129 CO 0.01 -0.70 0.80 -0.51 -0.81 0.00 0.00 175.30 174.10 1t8c s LEU 130 N -2.93 4.59 0.74 -0.88 2.01 -1.26 -0.03 118.68 120.91 1t8c s LEU 130 Ca 0.14 1.68 -0.16 0.00 0.01 0.00 0.00 54.13 55.80 1t8c s LEU 130 Cb -0.03 -3.36 -0.07 0.00 0.01 0.00 0.00 46.19 42.74 1t8c s LEU 130 CO 0.05 0.19 0.20 0.00 1.01 0.00 0.00 176.35 177.80 1t8c n ALA 131 N 1.52 -2.48 -3.12 4.21 0.00 -1.20 -4.78 120.51 114.66 1t8c n ALA 131 Ca -0.05 -0.30 -0.45 0.00 0.00 0.00 0.00 53.44 52.64 1t8c n ALA 131 Cb 0.49 -1.66 -0.02 0.00 0.00 0.00 0.00 19.45 18.25 1t8c n ALA 131 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1t8c s THR 132 N -1.98 5.13 -0.00 0.00 2.01 -1.26 -4.68 115.64 114.87 1t8c s THR 132 Ca 0.59 -1.93 0.00 0.00 0.31 0.00 0.00 61.69 60.66 1t8c s THR 132 Cb -0.34 -4.62 0.00 0.00 0.01 0.00 0.00 72.50 67.55 1t8c s THR 132 CO 0.64 -1.26 0.93 0.00 -0.69 0.00 0.00 174.62 174.24 1t8c n THR 134 N -0.01 -9.20 -0.22 0.00 -1.04 -1.26 -4.77 114.28 97.78 1t8c n THR 134 Ca 0.00 0.17 0.02 0.00 -2.04 0.00 0.00 64.05 62.20 1t8c n THR 134 Cb 0.67 -6.33 0.12 0.00 -1.82 0.00 0.00 70.33 62.97 1t8c n THR 134 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1t8c h PRO 135 N 0.98 0.12 -5.73 -2.82 0.11 -1.97 -3.39 132.00 119.29 1t8c h PRO 135 Ca -0.12 -0.01 -0.53 0.00 0.11 0.00 0.00 66.00 65.45 1t8c h PRO 135 Cb 1.08 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1t8c h PRO 135 CO 0.27 0.08 1.58 -2.30 -0.21 0.00 0.00 178.00 177.42 1t8c n PRO 136 N -5.29 1.27 -2.04 1.05 -0.02 -1.26 -4.88 135.00 123.84 1t8c n PRO 136 Ca 0.10 0.20 -0.42 0.00 -2.02 0.00 0.00 63.50 61.37 1t8c n PRO 136 Cb 0.39 -3.14 -0.03 0.00 -0.02 0.00 0.00 33.50 30.70 1t8c n PRO 136 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t8c s ALA 137 N 10.21 2.69 1.11 3.55 0.00 -1.26 -4.98 121.76 133.08 1t8c s ALA 137 Ca 1.03 -0.02 -0.15 0.00 0.00 0.00 0.00 51.96 52.83 1t8c s ALA 137 Cb -0.38 -4.09 0.25 0.00 0.00 0.00 0.00 23.12 18.90 1t8c s ALA 137 CO 0.33 -2.96 1.07 -1.12 0.00 0.00 0.00 175.76 173.09 1t8c s SER 138 N 6.47 1.59 0.13 0.00 0.01 -1.26 -4.92 113.70 115.72 1t8c s SER 138 Ca 0.75 1.08 -0.31 0.00 1.31 0.00 0.00 55.95 58.78 1t8c s SER 138 Cb -0.19 -1.66 -0.10 0.00 0.21 0.00 0.00 66.02 64.28 1t8c s SER 138 CO 0.30 -3.76 1.64 -0.70 0.41 0.00 0.00 173.24 171.13 1t8c s GLU 139 N -4.97 4.19 -0.03 12.44 2.12 -1.26 -4.93 118.70 126.27 1t8c s GLU 139 Ca 0.67 2.40 -0.30 0.00 0.36 0.00 0.00 54.97 58.10 1t8c s GLU 139 Cb -0.18 -3.36 -0.06 0.00 0.26 0.00 0.00 34.13 30.80 1t8c s GLU 139 CO 0.59 -0.69 1.55 0.20 -0.54 0.00 0.00 175.26 176.36 1t8c s GLY 140 N 1.78 1.64 0.21 -1.50 0.00 -1.26 -4.97 107.32 103.22 1t8c s GLY 140 Ca 0.73 0.93 -0.30 0.00 0.00 0.00 0.00 44.72 46.08 1t8c s GLY 140 CO 0.32 2.82 1.29 -1.35 0.00 0.00 0.00 173.10 176.18 1t8c s SER 141 N 2.64 6.92 -0.03 1.64 1.04 -1.26 -4.98 113.70 119.68 1t8c s SER 141 Ca 0.69 2.39 -0.01 0.00 0.48 0.00 0.00 55.95 59.50 1t8c s SER 141 Cb -0.33 -2.61 -0.00 0.00 0.10 0.00 0.00 66.02 63.17 1t8c s SER 141 CO 0.28 -0.50 -0.02 0.00 0.98 0.00 0.00 173.24 173.98 1t8c h ALA 142 N 5.19 0.00 0.00 5.32 0.00 -2.06 -3.57 119.26 124.15 1t8c h ALA 142 Ca -0.45 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1t8c h ALA 142 Cb 1.21 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1t8c h ALA 142 CO 0.76 0.06 0.00 -1.91 0.00 0.00 0.00 179.25 178.16