#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t8c s GLY 2 N 0.00 2.23 -0.01 5.00 0.00 -1.26 -4.91 107.32 108.37 1t8c s GLY 2 Ca 0.00 1.10 0.07 0.00 0.00 0.00 0.00 44.72 45.89 1t8c s GLY 2 CO 0.00 2.20 1.15 1.97 0.00 0.00 0.00 173.10 178.42 1t8c n PHE 3 N 3.32 0.28 -0.00 1.90 1.16 -1.26 -4.53 117.46 118.33 1t8c n PHE 3 Ca 0.09 -0.53 0.01 0.00 -1.87 0.00 0.00 57.45 55.15 1t8c n PHE 3 Cb 0.43 -0.05 -0.03 0.00 -1.61 0.00 0.00 39.48 38.22 1t8c n PHE 3 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 1t8c n VAL 4 N -0.00 0.02 -1.67 1.97 0.31 -1.26 -4.98 118.33 112.71 1t8c n VAL 4 Ca 0.07 -0.08 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 1t8c n VAL 4 Cb 0.38 0.28 -0.03 0.00 -0.91 0.00 0.00 33.84 33.56 1t8c n VAL 4 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1t8c n ASN 6 N 12.34 -0.23 -0.59 0.00 4.05 -1.26 -4.89 115.26 124.68 1t8c n ASN 6 Ca 0.30 -1.98 0.10 0.00 0.45 0.00 0.00 54.58 53.44 1t8c n ASN 6 Cb 0.47 0.07 0.33 0.00 1.23 0.00 0.00 39.78 41.88 1t8c n ASN 6 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 177.26 175.28 1t8c n THR 7 N 0.18 0.27 -3.83 -0.44 5.66 -1.26 -4.53 114.28 110.33 1t8c n THR 7 Ca -0.15 -0.38 -0.30 0.00 -3.05 0.00 0.00 64.05 60.17 1t8c n THR 7 Cb 0.86 0.35 -0.11 0.00 -1.55 0.00 0.00 70.33 69.89 1t8c n THR 7 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1t8c h PRO 9 N 5.55 -0.03 0.00 0.00 0.13 -1.80 -3.46 132.00 132.39 1t8c h PRO 9 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1t8c h PRO 9 Cb 0.77 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1t8c h PRO 9 CO 0.76 -0.02 0.00 -1.91 -0.23 0.00 0.00 178.00 176.59 1t8c n GLU 10 N -2.64 0.00 -0.35 0.86 2.13 -1.26 -4.86 120.64 114.53 1t8c n GLU 10 Ca -0.00 0.00 0.15 0.00 0.66 0.00 0.00 57.16 57.97 1t8c n GLU 10 Cb 0.01 0.00 0.35 0.00 0.27 0.00 0.00 31.44 32.08 1t8c n GLU 10 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1t8c h LYS 11 N 0.00 0.64 -6.89 5.31 1.57 -1.94 -3.40 116.57 111.86 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 -0.15 0.04 0.00 0.08 0.00 0.00 32.23 32.20 1t8c h LYS 11 CO 0.00 0.43 0.50 -1.58 -0.57 0.00 0.00 179.45 178.22 1t8c s TRP 12 N -5.82 3.26 -0.05 -1.35 0.52 -1.25 -3.80 118.94 110.45 1t8c s TRP 12 Ca -0.11 1.60 0.00 0.00 0.02 0.00 0.00 56.10 57.61 1t8c s TRP 12 Cb 0.26 -3.35 0.02 0.00 -1.15 0.00 0.00 33.47 29.25 1t8c s TRP 12 CO 0.80 -1.03 -0.02 0.42 0.02 0.00 0.00 176.95 177.14 1t8c s ILE 13 N -1.34 0.42 0.12 2.03 -1.09 -0.47 -4.31 121.20 116.56 1t8c s ILE 13 Ca 0.52 0.00 0.04 0.00 -2.23 0.00 0.00 60.65 58.99 1t8c s ILE 13 Cb -0.31 -0.50 -0.04 0.00 -1.58 0.00 0.00 42.46 40.03 1t8c s ILE 13 CO 0.39 0.22 0.09 0.21 -1.23 0.00 0.00 174.94 174.63 1t8c s ASN 14 N 1.33 5.42 0.00 3.58 3.84 -1.26 0.12 114.94 127.97 1t8c s ASN 14 Ca -0.05 -0.10 0.00 0.00 0.21 0.00 0.00 52.86 52.92 1t8c s ASN 14 Cb -0.13 -1.41 0.00 0.00 -0.55 0.00 0.00 41.25 39.16 1t8c s ASN 14 CO -0.02 0.13 0.00 0.49 -2.79 0.00 0.00 177.10 174.90 1t8c n PHE 15 N 0.12 0.00 -0.27 0.43 3.72 0.16 -4.95 117.46 116.68 1t8c n PHE 15 Ca -0.09 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.38 1t8c n PHE 15 Cb 0.53 0.00 0.21 0.00 -0.94 0.00 0.00 39.48 39.28 1t8c n PHE 15 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1t8c h GLN 16 N 0.00 0.37 0.00 -1.08 3.07 -2.04 -3.39 115.11 112.04 1t8c h GLN 16 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.72 1t8c h GLN 16 Cb 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 27.48 1t8c h GLN 16 CO 0.00 0.25 0.00 2.89 0.09 0.00 0.00 178.83 182.06 1t8c n ARG 17 N -5.06 0.00 -4.30 0.06 1.85 -1.26 -5.12 116.66 102.83 1t8c n ARG 17 Ca 0.16 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.77 1t8c n ARG 17 Cb 0.48 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.81 1t8c n ARG 17 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 1t8c s LYS 18 N 0.00 2.21 0.31 2.89 -2.85 -1.26 -2.77 119.74 118.27 1t8c s LYS 18 Ca 0.00 -1.39 0.07 0.00 -1.00 0.00 0.00 55.97 53.65 1t8c s LYS 18 Cb 0.00 -2.15 -0.06 0.00 -2.06 0.00 0.00 37.83 33.56 1t8c s LYS 18 CO 0.00 0.38 -0.04 0.00 0.10 0.00 0.00 175.35 175.79 1t8c s TYR 20 N -2.93 1.92 -0.43 0.00 1.51 0.32 -0.61 117.35 117.12 1t8c s TYR 20 Ca 0.32 -0.64 -0.17 0.00 -1.01 0.00 0.00 57.07 55.57 1t8c s TYR 20 Cb 0.05 -1.30 0.03 0.00 -0.11 0.00 0.00 41.96 40.62 1t8c s TYR 20 CO 0.14 -0.25 0.40 -0.47 -1.11 0.00 0.00 175.55 174.26 1t8c s TYR 21 N 0.21 3.19 -0.23 2.71 5.04 0.29 -1.36 117.35 127.20 1t8c s TYR 21 Ca -0.09 -0.51 -0.11 0.00 -2.44 0.00 0.00 57.07 53.92 1t8c s TYR 21 Cb -0.14 -2.87 -0.05 0.00 0.35 0.00 0.00 41.96 39.25 1t8c s TYR 21 CO 0.04 -0.70 0.18 -0.06 -1.34 0.00 0.00 175.55 173.67 1t8c s PHE 22 N 1.97 3.34 0.20 4.97 0.40 -1.25 -0.43 117.98 127.19 1t8c s PHE 22 Ca 0.09 0.28 0.00 0.00 -0.60 0.00 0.00 56.93 56.71 1t8c s PHE 22 Cb -0.19 -2.28 -0.00 0.00 0.51 0.00 0.00 43.02 41.07 1t8c s PHE 22 CO 0.12 0.09 0.26 0.41 0.70 0.00 0.00 175.22 176.80 1t8c n GLY 23 N 4.14 2.75 3.56 4.36 0.00 0.10 -4.71 105.19 115.39 1t8c n GLY 23 Ca -0.14 -1.59 -0.24 0.00 0.00 0.00 0.00 46.02 44.05 1t8c n GLY 23 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1t8c s LYS 24 N -2.55 1.98 0.00 1.61 2.20 -1.26 -0.34 119.74 121.38 1t8c s LYS 24 Ca 0.19 -1.55 0.00 0.00 -0.36 0.00 0.00 55.97 54.25 1t8c s LYS 24 Cb -0.00 -1.99 0.00 0.00 -1.51 0.00 0.00 37.83 34.33 1t8c s LYS 24 CO 0.13 0.36 0.00 0.41 -0.36 0.00 0.00 175.35 175.89 1t8c n GLY 25 N -0.62 4.01 0.00 5.54 0.00 -0.70 -4.30 105.19 109.13 1t8c n GLY 25 Ca -0.07 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1t8c n GLY 25 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1t8c n THR 26 N -0.95 0.00 -4.66 2.61 -2.24 -1.26 -2.29 114.28 105.48 1t8c n THR 26 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1t8c n THR 26 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1t8c n THR 26 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1t8c n LYS 27 N 0.00 0.00 -1.29 -0.78 4.76 -1.26 -4.76 118.16 114.82 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 -0.50 2.06 -0.06 1.97 3.00 -1.26 -4.37 117.38 118.21 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 -0.06 0.00 0.00 0.00 0.00 30.24 30.18 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 0.50 0.34 -0.57 1.08 7.01 -1.96 -2.89 115.95 119.46 1t8c h TRP 29 Ca 0.00 -0.06 0.14 0.00 2.11 0.00 0.00 58.89 61.09 1t8c h TRP 29 Cb 0.00 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 26.94 1t8c h TRP 29 CO 0.00 0.52 0.40 -0.39 -2.79 0.00 0.00 178.44 176.18 1t8c h VAL 30 N 0.06 0.77 -0.03 2.65 -1.51 -1.96 0.16 116.25 116.38 1t8c h VAL 30 Ca 0.05 -0.04 -0.14 0.00 -1.23 0.00 0.00 66.70 65.34 1t8c h VAL 30 Cb 0.39 0.63 -0.02 0.00 -2.13 0.00 0.00 31.29 30.16 1t8c h VAL 30 CO 0.01 0.02 -0.62 0.45 -1.23 0.00 0.00 177.57 176.20 1t8c h HIS 31 N 0.12 0.14 -0.04 5.19 3.86 -1.91 -2.15 115.15 120.36 1t8c h HIS 31 Ca 0.27 -0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.40 1t8c h HIS 31 Cb 0.91 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.36 1t8c h HIS 31 CO -0.00 0.70 -0.07 0.00 0.86 0.00 0.00 177.93 179.42 1t8c h ALA 32 N 1.29 0.07 -0.93 2.45 0.00 -0.60 -0.05 119.26 121.49 1t8c h ALA 32 Ca -0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1t8c h ALA 32 Cb 1.12 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1t8c h ALA 32 CO 0.09 -0.11 0.53 0.07 0.00 0.00 0.00 179.25 179.83 1t8c h ARG 33 N -0.37 1.28 -0.08 0.00 0.11 -1.42 -1.43 114.38 112.47 1t8c h ARG 33 Ca 0.00 -0.14 -0.15 0.00 0.10 0.00 0.00 59.98 59.79 1t8c h ARG 33 Cb 0.62 -0.26 -0.01 0.00 1.11 0.00 0.00 29.97 31.43 1t8c h ARG 33 CO 0.02 0.92 -0.63 -0.92 0.10 0.00 0.00 179.97 179.45 1t8c h TYR 34 N 1.29 0.37 -0.43 4.08 5.03 -1.39 -1.01 116.97 124.90 1t8c h TYR 34 Ca 0.33 -0.14 -0.11 0.00 2.58 0.00 0.00 58.73 61.39 1t8c h TYR 34 Cb -0.01 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.20 1t8c h TYR 34 CO 0.01 0.83 -0.15 0.00 -1.32 0.00 0.00 178.16 177.54 1t8c h ALA 35 N 1.13 0.59 0.00 1.82 0.00 -0.48 -1.96 119.26 120.37 1t8c h ALA 35 Ca -0.01 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 1t8c h ALA 35 Cb 1.15 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1t8c h ALA 35 CO 0.10 0.51 -0.46 0.00 0.00 0.00 0.00 179.25 179.40 1t8c h ASP 37 N 0.00 0.00 -0.97 0.00 5.19 -1.00 -1.18 116.42 118.47 1t8c h ASP 37 Ca -0.00 0.00 0.05 0.00 -0.62 0.00 0.00 57.03 56.45 1t8c h ASP 37 Cb 1.28 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.73 1t8c h ASP 37 CO 0.06 0.14 0.63 -0.78 -3.12 0.00 0.00 179.24 176.17 1t8c h ASP 38 N 0.00 1.03 0.00 6.45 1.82 -1.28 -3.44 116.42 121.00 1t8c h ASP 38 Ca -0.00 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1t8c h ASP 38 Cb 0.85 -0.23 0.00 0.00 0.68 0.00 0.00 39.33 40.63 1t8c h ASP 38 CO 0.02 0.69 0.00 1.15 -1.61 0.00 0.00 179.24 179.49 1t8c n MET 39 N -4.46 0.00 0.00 0.28 0.00 -1.21 -5.08 117.12 106.65 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 0.13 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.35 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 -0.04 0.00 0.00 3.17 4.71 -0.99 -5.00 120.64 122.49 1t8c n GLU 40 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1t8c n GLU 40 Cb 0.00 -0.39 0.00 0.00 -1.01 0.00 0.00 31.44 30.04 1t8c n GLU 40 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1t8c n GLY 41 N 0.00 0.64 3.41 0.62 0.00 -0.48 -4.87 105.19 104.51 1t8c n GLY 41 Ca 0.00 0.11 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 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 0.74 1.21 -0.33 1.61 0.74 0.30 -4.57 119.66 119.35 1t8c s GLN 42 Ca 0.00 -0.79 -0.29 0.00 0.05 0.00 0.00 55.36 54.33 1t8c s GLN 42 Cb 0.00 0.49 -0.00 0.00 1.10 0.00 0.00 33.01 34.60 1t8c s GLN 42 CO 0.00 -0.49 1.44 -1.17 -0.55 0.00 0.00 175.29 174.51 1t8c s LEU 43 N -2.84 3.75 0.00 3.68 2.96 -1.26 0.42 118.68 125.39 1t8c s LEU 43 Ca 0.06 1.16 0.00 0.00 -0.22 0.00 0.00 54.13 55.13 1t8c s LEU 43 Cb 0.01 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.16 1t8c s LEU 43 CO -0.07 -1.29 0.08 1.33 -1.32 0.00 0.00 176.35 175.08 1t8c n VAL 44 N 6.64 0.00 -3.02 1.68 0.24 -1.26 -3.46 118.33 119.15 1t8c n VAL 44 Ca 0.17 0.12 -0.13 0.00 -2.04 0.00 0.00 64.34 62.46 1t8c n VAL 44 Cb 0.47 -0.16 0.06 0.00 -1.47 0.00 0.00 33.84 32.74 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 -1.95 -3.44 -4.52 -1.34 2.88 -1.26 -4.56 113.62 99.42 1t8c n SER 45 Ca 0.00 -0.51 -0.46 0.00 -1.33 0.00 0.00 58.87 56.57 1t8c n SER 45 Cb 0.00 -4.15 -0.02 0.00 -0.75 0.00 0.00 64.21 59.29 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 -3.22 1.97 -0.72 2.46 -5.35 -1.26 -4.79 119.36 108.44 1t8c n ILE 46 Ca -0.16 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 61.83 1t8c n ILE 46 Cb 0.62 -0.65 0.00 0.00 -1.74 0.00 0.00 39.64 37.87 1t8c n ILE 46 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1t8c n HIS 47 N 0.18 0.00 -4.55 4.28 1.44 -1.26 -4.95 115.22 110.36 1t8c n HIS 47 Ca 0.13 -0.01 -0.33 0.00 -2.01 0.00 0.00 57.72 55.50 1t8c n HIS 47 Cb 0.29 -0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.24 1t8c n HIS 47 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1t8c s SER 48 N -0.02 3.11 0.55 4.39 0.15 -1.26 -4.81 113.70 115.81 1t8c s SER 48 Ca 0.00 -0.61 0.40 0.00 0.70 0.00 0.00 55.95 56.43 1t8c s SER 48 Cb 0.00 -1.45 1.59 0.00 -1.71 0.00 0.00 66.02 64.45 1t8c s SER 48 CO 0.00 0.06 1.75 -0.65 1.20 0.00 0.00 173.24 175.60 1t8c h PRO 49 N 7.46 0.00 -0.06 5.44 0.11 -1.98 0.45 132.00 143.42 1t8c h PRO 49 Ca -0.35 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.67 1t8c h PRO 49 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1t8c h PRO 49 CO 0.57 0.00 -0.29 1.49 -0.21 0.00 0.00 178.00 179.57 1t8c h GLU 50 N 0.00 0.31 -0.49 1.05 4.81 -1.98 -1.82 114.58 116.46 1t8c h GLU 50 Ca 0.65 -0.25 -0.03 0.00 -0.13 0.00 0.00 59.36 59.60 1t8c h GLU 50 Cb 2.62 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 32.03 1t8c h GLU 50 CO -0.01 0.89 0.18 0.93 -0.73 0.00 0.00 179.01 180.27 1t8c h GLU 51 N -0.20 0.75 -0.70 1.92 5.08 -0.61 0.45 114.58 121.26 1t8c h GLU 51 Ca -0.02 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.14 1t8c h GLU 51 Cb 0.94 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 1t8c h GLU 51 CO 0.06 0.69 0.21 -0.56 -1.00 0.00 0.00 179.01 178.41 1t8c h GLN 52 N 0.66 1.10 -0.24 2.33 -0.00 -1.15 -2.06 115.11 115.75 1t8c h GLN 52 Ca 0.16 -0.24 -0.11 0.00 -0.00 0.00 0.00 58.65 58.46 1t8c h GLN 52 Cb 0.23 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.48 27.54 1t8c h GLN 52 CO -0.01 0.95 -0.31 0.22 -0.00 0.00 0.00 178.83 179.67 1t8c h ASP 53 N 1.04 0.50 0.12 0.06 1.82 -1.01 -0.11 116.42 118.83 1t8c h ASP 53 Ca 0.23 -0.19 -0.01 0.00 -0.39 0.00 0.00 57.03 56.67 1t8c h ASP 53 Cb 0.31 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.19 1t8c h ASP 53 CO -0.01 0.79 -0.06 -0.26 -1.61 0.00 0.00 179.24 178.10 1t8c h PHE 54 N 0.42 -0.15 -0.05 0.28 0.04 0.52 0.25 116.94 118.25 1t8c h PHE 54 Ca 0.05 -0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.64 1t8c h PHE 54 Cb 0.76 0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.95 1t8c h PHE 54 CO 0.03 -0.08 -0.74 1.37 -0.60 0.00 0.00 178.31 178.29 1t8c h LEU 55 N -0.16 0.35 -0.92 1.54 8.10 -1.37 -1.12 115.31 121.73 1t8c h LEU 55 Ca -0.02 -0.24 0.00 0.00 0.11 0.00 0.00 57.88 57.74 1t8c h LEU 55 Cb 0.13 -0.10 -0.04 0.00 -0.44 0.00 0.00 40.66 40.20 1t8c h LEU 55 CO 0.03 0.97 0.58 0.74 -4.11 0.00 0.00 178.44 176.64 1t8c h THR 56 N 0.19 1.24 -0.06 0.15 2.02 -0.75 0.59 112.91 116.30 1t8c h THR 56 Ca -0.03 -0.49 -0.19 0.00 0.77 0.00 0.00 66.41 66.47 1t8c h THR 56 Cb 1.30 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1t8c h THR 56 CO 0.12 0.25 -0.77 0.50 0.37 0.00 0.00 175.52 175.98 1t8c h LYS 57 N 1.25 0.39 -0.07 6.66 1.63 -0.41 -2.96 116.57 123.06 1t8c h LYS 57 Ca 0.33 -0.34 -0.08 0.00 -0.85 0.00 0.00 60.65 59.71 1t8c h LYS 57 Cb -0.10 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 1t8c h LYS 57 CO -0.07 0.99 -0.31 1.25 -3.45 0.00 0.00 179.45 177.86 1t8c h HIS 58 N 0.26 0.14 -2.11 1.91 2.76 -0.13 -3.39 115.15 114.59 1t8c h HIS 58 Ca -0.04 -0.03 -0.53 0.00 -2.20 0.00 0.00 60.37 57.57 1t8c h HIS 58 Cb 1.36 -0.04 -0.07 0.00 1.55 0.00 0.00 27.41 30.21 1t8c h HIS 58 CO 0.05 0.43 1.16 0.00 -1.30 0.00 0.00 177.93 178.26 1t8c s ALA 59 N -4.33 2.58 0.00 5.26 0.00 0.20 -4.92 121.76 120.55 1t8c s ALA 59 Ca -0.04 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.63 1t8c s ALA 59 Cb 0.14 -4.30 0.00 0.00 0.00 0.00 0.00 23.12 18.96 1t8c s ALA 59 CO 0.74 -3.51 0.46 0.43 0.00 0.00 0.00 175.76 173.88 1t8c n SER 60 N 10.25 0.00 -0.02 0.00 7.64 -1.26 -4.49 113.62 125.74 1t8c n SER 60 Ca 0.11 0.46 0.01 0.00 1.01 0.00 0.00 58.87 60.46 1t8c n SER 60 Cb 0.50 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.72 1t8c n SER 60 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1t8c n HIS 61 N -0.48 0.01 -3.78 1.43 -0.00 -1.26 -4.96 115.22 106.19 1t8c n HIS 61 Ca 0.00 -0.56 -0.27 0.00 0.46 0.00 0.00 57.72 57.36 1t8c n HIS 61 Cb 0.00 -0.06 -0.17 0.00 -0.12 0.00 0.00 29.99 29.64 1t8c n HIS 61 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 1t8c s THR 62 N -1.22 0.62 1.21 3.57 -4.23 -1.26 -4.94 115.64 109.38 1t8c s THR 62 Ca 0.04 -0.40 -0.17 0.00 -1.18 0.00 0.00 61.69 59.98 1t8c s THR 62 Cb 0.04 -0.96 0.24 0.00 1.34 0.00 0.00 72.50 73.16 1t8c s THR 62 CO 0.01 -0.01 0.60 0.61 -0.54 0.00 0.00 174.62 175.28 1t8c n GLY 63 N 5.03 -2.59 3.64 3.99 0.00 -1.25 -4.34 105.19 109.67 1t8c n GLY 63 Ca -0.09 -1.13 -0.23 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.28 4.41 -0.16 1.61 0.15 -1.24 -1.52 113.70 114.68 1t8c s SER 64 Ca 0.62 -0.78 -0.06 0.00 0.70 0.00 0.00 55.95 56.43 1t8c s SER 64 Cb -0.17 -0.71 -0.04 0.00 -1.71 0.00 0.00 66.02 63.39 1t8c s SER 64 CO 0.62 -0.11 0.04 0.26 1.20 0.00 0.00 173.24 175.25 1t8c s TRP 65 N -2.40 3.21 0.37 3.44 0.51 -1.13 -3.36 118.94 119.56 1t8c s TRP 65 Ca 0.33 0.04 0.08 0.00 -2.12 0.00 0.00 56.10 54.43 1t8c s TRP 65 Cb -0.04 -2.00 -0.04 0.00 -0.81 0.00 0.00 33.47 30.58 1t8c s TRP 65 CO 0.20 0.20 0.19 0.96 -0.51 0.00 0.00 176.95 177.99 1t8c s ILE 66 N 0.09 2.85 -0.48 2.03 -4.36 -1.26 -4.13 121.20 115.95 1t8c s ILE 66 Ca 0.04 -1.62 -0.05 0.00 -0.26 0.00 0.00 60.65 58.75 1t8c s ILE 66 Cb -0.13 -3.00 -0.14 0.00 1.25 0.00 0.00 42.46 40.45 1t8c s ILE 66 CO 0.01 -0.12 2.55 0.61 0.24 0.00 0.00 174.94 178.24 1t8c n GLY 67 N -1.24 2.84 3.13 6.27 0.00 -1.22 -4.62 105.19 110.35 1t8c n GLY 67 Ca -0.02 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 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 0.05 1.91 -0.05 0.99 1.98 -1.26 -1.46 118.68 120.84 1t8c s LEU 68 Ca 0.48 -0.48 -0.01 0.00 -2.89 0.00 0.00 54.13 51.22 1t8c s LEU 68 Cb 0.18 -1.21 0.03 0.00 0.66 0.00 0.00 46.19 45.85 1t8c s LEU 68 CO -0.02 0.09 0.03 -0.60 -1.89 0.00 0.00 176.35 173.96 1t8c s ARG 69 N 0.62 0.26 0.03 1.98 3.52 0.11 -3.77 118.95 121.69 1t8c s ARG 69 Ca -0.14 0.23 -0.16 0.00 -0.13 0.00 0.00 55.73 55.53 1t8c s ARG 69 Cb -0.16 -0.71 -0.06 0.00 -1.56 0.00 0.00 34.95 32.46 1t8c s ARG 69 CO 0.04 -0.30 0.46 1.21 -0.81 0.00 0.00 175.30 175.90 1t8c s ASN 70 N 1.96 6.89 0.13 -2.12 3.84 -1.25 -0.83 114.94 123.57 1t8c s ASN 70 Ca 0.03 1.05 -0.31 0.00 0.21 0.00 0.00 52.86 53.85 1t8c s ASN 70 Cb -0.12 -2.28 -0.08 0.00 -0.55 0.00 0.00 41.25 38.22 1t8c s ASN 70 CO -0.04 0.31 1.30 -0.76 -2.79 0.00 0.00 177.10 175.12 1t8c s LEU 71 N -1.11 4.39 0.00 3.21 1.43 -1.06 -4.56 118.68 120.97 1t8c s LEU 71 Ca 0.26 2.26 0.00 0.00 -1.03 0.00 0.00 54.13 55.61 1t8c s LEU 71 Cb -0.17 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.45 1t8c s LEU 71 CO 0.15 -0.54 0.00 0.47 0.23 0.00 0.00 176.35 176.66 1t8c n ASP 72 N 3.45 0.00 0.00 2.29 9.92 -1.26 -2.77 116.55 128.18 1t8c n ASP 72 Ca 0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.35 1t8c n ASP 72 Cb 0.44 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.92 1t8c n ASP 72 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1t8c n LEU 73 N 0.00 0.00 -1.20 0.64 -0.00 -1.26 -4.66 117.00 110.52 1t8c n LEU 73 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 56.12 1t8c n LEU 73 Cb 0.00 0.29 0.26 0.00 -0.00 0.00 0.00 43.42 43.97 1t8c n LEU 73 CO 0.00 -0.29 0.72 2.29 -0.00 0.00 0.00 177.39 180.11 1t8c n LYS 74 N -2.16 2.60 0.00 1.47 2.85 -1.26 -4.92 118.16 116.74 1t8c n LYS 74 Ca 0.00 -2.43 0.00 0.00 -1.05 0.00 0.00 58.31 54.83 1t8c n LYS 74 Cb 0.00 -1.51 0.00 0.00 -0.65 0.00 0.00 35.03 32.87 1t8c n LYS 74 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1t8c n GLY 75 N 1.48 -0.61 3.28 2.58 0.00 -1.11 -5.06 105.19 105.75 1t8c n GLY 75 Ca 0.21 -0.70 -0.28 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 1.65 -0.02 1.61 2.02 -1.26 -4.90 118.70 117.80 1t8c s GLU 76 Ca 0.00 -0.94 -0.30 0.00 0.02 0.00 0.00 54.97 53.75 1t8c s GLU 76 Cb 0.00 -1.72 -0.05 0.00 0.10 0.00 0.00 34.13 32.46 1t8c s GLU 76 CO 0.00 0.45 1.38 -0.59 0.02 0.00 0.00 175.26 176.53 1t8c s PHE 77 N -0.70 2.83 0.00 1.61 -0.12 -1.26 -2.56 117.98 117.78 1t8c s PHE 77 Ca 0.09 0.84 0.07 0.00 -0.05 0.00 0.00 56.93 57.88 1t8c s PHE 77 Cb -0.09 -3.64 -0.02 0.00 -0.63 0.00 0.00 43.02 38.64 1t8c s PHE 77 CO 0.01 -2.34 -0.21 0.42 -0.05 0.00 0.00 175.22 173.05 1t8c s ILE 78 N 2.57 1.64 0.56 -4.49 1.01 -0.01 -2.78 121.20 119.70 1t8c s ILE 78 Ca 0.63 -0.98 -0.17 0.00 0.00 0.00 0.00 60.65 60.13 1t8c s ILE 78 Cb -0.30 -1.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.74 1t8c s ILE 78 CO 0.25 0.38 1.06 0.26 0.00 0.00 0.00 174.94 176.89 1t8c s TRP 79 N -0.58 2.97 0.58 3.97 0.52 0.02 0.05 118.94 126.47 1t8c s TRP 79 Ca 0.08 1.53 0.28 0.00 0.02 0.00 0.00 56.10 58.02 1t8c s TRP 79 Cb -0.08 -3.04 1.77 0.00 -1.15 0.00 0.00 33.47 30.96 1t8c s TRP 79 CO 0.00 -1.07 2.24 -0.24 0.02 0.00 0.00 176.95 177.90 1t8c h VAL 80 N 0.80 0.56 0.00 4.03 3.04 -1.57 0.30 116.25 123.41 1t8c h VAL 80 Ca -0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 1t8c h VAL 80 Cb 1.22 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 31.49 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 -3.90 0.00 -0.41 3.17 2.03 -1.26 -4.88 116.55 111.29 1t8c n ASP 81 Ca -0.03 -0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.19 1t8c n ASP 81 Cb 0.10 -0.28 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 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 2.72 0.27 0.00 0.11 -5.09 105.19 104.99 1t8c n GLY 82 Ca 0.12 -0.45 -0.18 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.64 0.70 0.61 1.61 0.01 -1.22 -4.91 113.70 107.86 1t8c s SER 83 Ca 0.00 0.06 -0.18 0.00 1.31 0.00 0.00 55.95 57.14 1t8c s SER 83 Cb 0.00 -0.12 -0.06 0.00 0.21 0.00 0.00 66.02 66.06 1t8c s SER 83 CO 0.00 -0.20 0.81 0.00 0.41 0.00 0.00 173.24 174.26 1t8c n HIS 84 N 4.82 0.28 -1.87 2.43 1.44 -1.26 -0.80 115.22 120.26 1t8c n HIS 84 Ca -0.14 0.43 -0.42 0.00 -2.01 0.00 0.00 57.72 55.58 1t8c n HIS 84 Cb 0.50 -2.07 -0.03 0.00 0.12 0.00 0.00 29.99 28.52 1t8c n HIS 84 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1t8c s VAL 85 N -1.61 3.35 -0.11 0.61 1.01 -1.12 -4.77 120.40 117.76 1t8c s VAL 85 Ca 0.74 0.40 -0.24 0.00 0.00 0.00 0.00 61.98 62.88 1t8c s VAL 85 Cb -0.42 -3.32 -0.28 0.00 0.00 0.00 0.00 36.38 32.37 1t8c s VAL 85 CO 0.49 -0.10 0.75 0.44 0.00 0.00 0.00 175.10 176.69 1t8c h ASP 86 N 11.07 0.22 -3.36 3.32 3.32 -1.94 -3.44 116.42 125.61 1t8c h ASP 86 Ca -0.41 -0.93 -0.58 0.00 0.02 0.00 0.00 57.03 55.13 1t8c h ASP 86 Cb 1.20 -0.07 -0.37 0.00 0.22 0.00 0.00 39.33 40.31 1t8c h ASP 86 CO 0.96 1.25 -0.80 -0.31 -1.72 0.00 0.00 179.24 178.62 1t8c s TYR 87 N -2.34 2.01 0.40 4.55 1.51 -1.26 -5.13 117.35 117.09 1t8c s TYR 87 Ca -0.18 -1.29 0.08 0.00 -1.01 0.00 0.00 57.07 54.67 1t8c s TYR 87 Cb -0.00 -1.46 0.00 0.00 -0.11 0.00 0.00 41.96 40.40 1t8c s TYR 87 CO 0.74 -0.67 0.54 -1.54 -1.11 0.00 0.00 175.55 173.52 1t8c s SER 88 N 1.53 5.70 0.00 2.29 1.04 -1.26 -4.85 113.70 118.15 1t8c s SER 88 Ca 0.00 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.04 1t8c s SER 88 Cb -0.15 -0.77 0.00 0.00 0.10 0.00 0.00 66.02 65.19 1t8c s SER 88 CO -0.08 -0.69 0.06 0.59 0.98 0.00 0.00 173.24 174.10 1t8c n ASN 89 N -1.79 0.12 0.00 7.02 3.02 -1.26 -5.07 115.26 117.29 1t8c n ASN 89 Ca 0.06 -0.45 0.00 0.00 -0.03 0.00 0.00 54.58 54.16 1t8c n ASN 89 Cb 0.59 0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.99 1t8c n ASN 89 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1t8c n TRP 90 N -0.23 0.00 -1.50 3.10 7.02 -1.26 -3.98 117.44 120.59 1t8c n TRP 90 Ca 0.00 0.00 -0.49 0.00 -1.02 0.00 0.00 57.50 55.99 1t8c n TRP 90 Cb 0.05 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 28.88 1t8c n TRP 90 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1t8c n ALA 91 N 0.00 1.16 0.24 6.99 0.00 0.27 -4.82 120.51 124.35 1t8c n ALA 91 Ca 0.00 -0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.46 1t8c n ALA 91 Cb 0.00 -2.61 0.58 0.00 0.00 0.00 0.00 19.45 17.43 1t8c n ALA 91 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1t8c h PRO 92 N 12.47 0.01 -0.97 0.00 0.11 -1.89 -2.16 132.00 139.57 1t8c h PRO 92 Ca -0.32 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.63 1t8c h PRO 92 Cb 1.30 -0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.32 1t8c h PRO 92 CO 1.00 0.08 0.20 0.41 -0.21 0.00 0.00 178.00 179.47 1t8c n GLY 93 N -1.34 2.75 2.42 -0.55 0.00 -1.26 -4.48 105.19 102.73 1t8c n GLY 93 Ca -0.03 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.34 1t8c n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1t8c s GLU 94 N -1.25 0.98 -0.08 1.61 2.56 -0.81 -5.11 118.70 116.60 1t8c s GLU 94 Ca 0.20 -2.18 -0.33 0.00 0.00 0.00 0.00 54.97 52.67 1t8c s GLU 94 Cb 0.17 -1.52 -0.11 0.00 2.00 0.00 0.00 34.13 34.67 1t8c s GLU 94 CO 0.04 -1.38 1.95 -2.30 -0.56 0.00 0.00 175.26 173.01 1t8c n PRO 95 N 2.79 2.28 -2.22 4.30 -0.02 -1.26 -4.91 135.00 135.96 1t8c n PRO 95 Ca 0.29 0.82 -0.42 0.00 -2.02 0.00 0.00 63.50 62.17 1t8c n PRO 95 Cb 0.47 -2.77 -0.03 0.00 -0.02 0.00 0.00 33.50 31.15 1t8c n PRO 95 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1t8c s THR 96 N 4.67 3.55 0.16 3.45 -4.23 -1.26 -5.02 115.64 116.96 1t8c s THR 96 Ca 0.93 1.06 -0.07 0.00 -1.18 0.00 0.00 61.69 62.44 1t8c s THR 96 Cb -0.61 -3.68 -0.06 0.00 1.34 0.00 0.00 72.50 69.49 1t8c s THR 96 CO 0.48 0.06 0.43 -0.55 -0.54 0.00 0.00 174.62 174.49 1t8c s SER 97 N 1.35 6.55 -0.31 3.99 0.15 -1.26 -5.04 113.70 119.13 1t8c s SER 97 Ca 0.63 0.71 -0.29 0.00 0.70 0.00 0.00 55.95 57.70 1t8c s SER 97 Cb -0.34 -2.14 0.01 0.00 -1.71 0.00 0.00 66.02 61.84 1t8c s SER 97 CO 0.29 0.03 1.25 -0.60 1.20 0.00 0.00 173.24 175.41 1t8c s ARG 98 N -2.60 3.94 0.00 5.44 3.52 -1.26 -4.95 118.95 123.04 1t8c s ARG 98 Ca 0.42 1.19 0.00 0.00 -0.13 0.00 0.00 55.73 57.21 1t8c s ARG 98 Cb -0.12 -3.85 0.00 0.00 -1.56 0.00 0.00 34.95 29.42 1t8c s ARG 98 CO 0.23 -1.08 0.00 0.43 -0.81 0.00 0.00 175.30 174.07 1t8c n SER 99 N 7.46 0.00 -3.87 -2.12 7.64 -1.26 -5.19 113.62 116.29 1t8c n SER 99 Ca 0.14 -0.85 -0.11 0.00 1.01 0.00 0.00 58.87 59.06 1t8c n SER 99 Cb 0.47 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.56 1t8c n SER 99 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1t8c s GLN 100 N -1.56 0.37 0.00 1.43 -0.21 -1.26 -5.06 119.66 113.37 1t8c s GLN 100 Ca 0.00 -0.24 0.00 0.00 0.02 0.00 0.00 55.36 55.14 1t8c s GLN 100 Cb 0.00 0.15 0.00 0.00 1.00 0.00 0.00 33.01 34.16 1t8c s GLN 100 CO 0.00 -0.08 0.00 0.41 -2.12 0.00 0.00 175.29 173.50 1t8c n GLY 101 N 1.95 -1.62 0.00 3.09 0.00 -1.26 -5.10 105.19 102.25 1t8c n GLY 101 Ca -0.20 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1t8c n GLY 101 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1t8c n GLU 102 N 0.00 3.88 -3.40 1.61 -0.58 -1.25 -5.09 120.64 115.81 1t8c n GLU 102 Ca 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.71 1t8c n GLU 102 Cb 0.00 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 30.82 1t8c n GLU 102 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 1t8c s ASP 103 N 1.00 -0.72 -0.17 1.62 -4.77 -1.24 -4.11 116.67 108.28 1t8c s ASP 103 Ca 0.00 0.88 -0.34 0.00 -3.30 0.00 0.00 52.55 49.79 1t8c s ASP 103 Cb 0.00 1.78 0.14 0.00 -1.09 0.00 0.00 42.92 43.75 1t8c s ASP 103 CO 0.00 -0.26 1.16 0.00 0.70 0.00 0.00 175.17 176.77 1t8c s VAL 105 N -2.39 4.23 0.37 0.00 1.01 -1.25 -2.46 120.40 119.91 1t8c s VAL 105 Ca 0.08 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 61.89 1t8c s VAL 105 Cb -0.01 -2.82 -0.06 0.00 0.00 0.00 0.00 36.38 33.49 1t8c s VAL 105 CO -0.05 0.55 0.00 0.00 0.00 0.00 0.00 175.10 175.60 1t8c s MET 106 N -0.29 1.99 -0.08 2.72 0.23 0.74 -4.17 119.30 120.45 1t8c s MET 106 Ca 0.06 -1.90 0.03 0.00 -1.03 0.00 0.00 55.69 52.84 1t8c s MET 106 Cb -0.12 -1.80 0.01 0.00 -1.53 0.00 0.00 34.83 31.38 1t8c s MET 106 CO 0.02 0.06 -0.17 1.41 -2.03 0.00 0.00 175.02 174.30 1t8c s MET 107 N -3.71 2.30 0.00 3.16 -2.45 -1.21 0.12 119.30 117.51 1t8c s MET 107 Ca 0.35 -0.62 0.00 0.00 -1.25 0.00 0.00 55.69 54.17 1t8c s MET 107 Cb 0.04 -1.81 0.00 0.00 1.25 0.00 0.00 34.83 34.30 1t8c s MET 107 CO 0.19 0.09 0.00 -2.13 1.05 0.00 0.00 175.02 174.21 1t8c n ARG 108 N 3.71 0.00 0.00 4.11 0.63 -0.49 -3.60 116.66 121.03 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 0.00 1.36 1.02 5.14 0.00 -1.26 -1.97 105.19 109.48 1t8c n GLY 109 Ca 0.00 0.30 -0.02 0.00 0.00 0.00 0.00 46.02 46.30 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 11.66 2.56 -0.95 1.61 7.64 -1.26 -4.78 113.62 130.10 1t8c n SER 110 Ca 0.00 -2.26 -0.08 0.00 1.01 0.00 0.00 58.87 57.54 1t8c n SER 110 Cb 0.00 -0.55 -0.01 0.00 -1.01 0.00 0.00 64.21 62.64 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 0.15 0.09 0.00 0.23 0.00 -0.83 -5.01 105.19 99.82 1t8c n GLY 111 Ca 0.09 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.88 3.03 -4.00 1.61 1.85 -0.92 -4.68 116.66 111.66 1t8c n ARG 112 Ca -0.10 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.53 1t8c n ARG 112 Cb 0.56 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.92 1t8c n ARG 112 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1t8c s TRP 113 N 2.16 2.92 -0.08 2.89 0.52 -1.26 -1.39 118.94 124.70 1t8c s TRP 113 Ca 0.00 -0.25 -0.03 0.00 0.02 0.00 0.00 56.10 55.84 1t8c s TRP 113 Cb 0.00 -1.58 0.05 0.00 -1.15 0.00 0.00 33.47 30.78 1t8c s TRP 113 CO 0.00 0.36 0.16 -0.80 0.02 0.00 0.00 176.95 176.69 1t8c s ASN 114 N -3.89 0.69 -0.55 2.95 0.01 0.31 0.94 114.94 115.41 1t8c s ASN 114 Ca 0.37 0.33 -0.16 0.00 -0.71 0.00 0.00 52.86 52.68 1t8c s ASN 114 Cb -0.06 0.26 0.12 0.00 0.41 0.00 0.00 41.25 41.99 1t8c s ASN 114 CO 0.25 -0.24 0.53 -0.62 -1.51 0.00 0.00 177.10 175.51 1t8c s ASP 115 N 2.21 6.19 0.18 -1.22 -1.08 -1.26 -0.18 116.67 121.50 1t8c s ASP 115 Ca 0.02 -1.71 -0.19 0.00 -0.52 0.00 0.00 52.55 50.15 1t8c s ASP 115 Cb -0.12 -2.22 0.04 0.00 -1.46 0.00 0.00 42.92 39.16 1t8c s ASP 115 CO -0.06 -0.90 0.54 0.00 0.52 0.00 0.00 175.17 175.28 1t8c s ALA 116 N 1.78 -1.17 0.18 3.66 0.00 -1.03 -4.98 121.76 120.21 1t8c s ALA 116 Ca 0.04 0.03 0.13 0.00 0.00 0.00 0.00 51.96 52.17 1t8c s ALA 116 Cb -0.29 0.83 0.72 0.00 0.00 0.00 0.00 23.12 24.39 1t8c s ALA 116 CO 0.04 -0.78 1.31 0.74 0.00 0.00 0.00 175.76 177.06 1t8c h PHE 117 N 2.15 0.00 -3.13 0.00 0.04 -1.78 -3.00 116.94 111.22 1t8c h PHE 117 Ca -0.31 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.37 1t8c h PHE 117 Cb 1.28 0.00 0.05 0.00 2.20 0.00 0.00 35.95 39.48 1t8c h PHE 117 CO 0.31 0.00 -0.23 0.00 -0.60 0.00 0.00 178.31 177.79 1t8c n ASP 119 N -1.66 1.46 0.00 0.00 2.03 -1.26 -3.43 116.55 113.68 1t8c n ASP 119 Ca -0.08 -2.11 0.00 0.00 0.52 0.00 0.00 54.79 53.12 1t8c n ASP 119 Cb 0.55 -0.38 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 1t8c n ASP 119 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1t8c n ARG 120 N 0.04 2.97 -0.95 -0.67 1.74 -1.26 -5.15 116.66 113.38 1t8c n ARG 120 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1t8c n ARG 120 Cb 0.31 -0.98 0.00 0.00 -1.02 0.00 0.00 32.46 30.78 1t8c n ARG 120 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1t8c n LYS 121 N -2.05 -2.53 0.00 5.56 4.01 -1.22 -5.06 118.16 116.86 1t8c n LYS 121 Ca 0.00 1.95 0.00 0.00 -0.51 0.00 0.00 58.31 59.75 1t8c n LYS 121 Cb 0.48 -2.40 0.00 0.00 -0.51 0.00 0.00 35.03 32.59 1t8c n LYS 121 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1t8c n LEU 122 N -1.98 0.00 -0.84 -0.35 4.32 -1.26 -4.96 117.00 111.93 1t8c n LEU 122 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 55.96 1t8c n LEU 122 Cb 0.25 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.01 1t8c n LEU 122 CO 0.00 0.00 0.29 0.61 -1.22 0.00 0.00 177.39 177.07 1t8c n GLY 123 N 5.00 0.71 2.95 -0.72 0.00 -1.21 -4.62 105.19 107.31 1t8c n GLY 123 Ca 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.31 -0.44 4.61 0.00 -0.57 -1.72 121.76 123.33 1t8c s ALA 124 Ca 0.02 0.66 -0.16 0.00 0.00 0.00 0.00 51.96 52.49 1t8c s ALA 124 Cb 0.03 -0.43 0.04 0.00 0.00 0.00 0.00 23.12 22.76 1t8c s ALA 124 CO -0.01 -0.15 0.39 -1.58 0.00 0.00 0.00 175.76 174.41 1t8c s TRP 125 N 0.99 3.21 -0.13 0.00 0.52 0.54 -2.86 118.94 121.21 1t8c s TRP 125 Ca -0.08 -0.67 -0.01 0.00 0.02 0.00 0.00 56.10 55.36 1t8c s TRP 125 Cb -0.10 -2.94 -0.02 0.00 -1.15 0.00 0.00 33.47 29.27 1t8c s TRP 125 CO -0.05 -0.72 -0.11 0.08 0.02 0.00 0.00 176.95 176.16 1t8c s VAL 126 N 1.82 3.22 0.21 4.03 1.01 -1.26 0.03 120.40 129.45 1t8c s VAL 126 Ca 0.07 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1t8c s VAL 126 Cb -0.21 -2.36 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 1t8c s VAL 126 CO 0.10 0.52 0.04 0.00 0.00 0.00 0.00 175.10 175.76 1t8c s ASP 128 N -3.23 2.19 -0.08 0.00 2.15 0.17 0.11 116.67 117.98 1t8c s ASP 128 Ca 0.30 -0.46 -0.25 0.00 0.43 0.00 0.00 52.55 52.57 1t8c s ASP 128 Cb 0.07 -0.19 0.06 0.00 -0.30 0.00 0.00 42.92 42.55 1t8c s ASP 128 CO 0.08 0.14 0.56 -0.60 -0.17 0.00 0.00 175.17 175.19 1t8c s ARG 129 N -0.99 0.88 0.31 4.34 6.06 0.22 0.11 118.95 129.87 1t8c s ARG 129 Ca 0.06 0.26 -0.29 0.00 -2.50 0.00 0.00 55.73 53.25 1t8c s ARG 129 Cb -0.08 0.41 -0.10 0.00 0.06 0.00 0.00 34.95 35.24 1t8c s ARG 129 CO 0.01 -0.24 1.34 -0.51 -2.50 0.00 0.00 175.30 173.40 1t8c s LEU 130 N -0.92 4.41 0.81 -0.88 2.01 -1.26 0.04 118.68 122.89 1t8c s LEU 130 Ca -0.09 2.68 -0.16 0.00 0.01 0.00 0.00 54.13 56.56 1t8c s LEU 130 Cb -0.02 -3.64 -0.07 0.00 0.01 0.00 0.00 46.19 42.47 1t8c s LEU 130 CO 0.07 -0.58 0.04 0.00 1.01 0.00 0.00 176.35 176.89 1t8c n ALA 131 N 1.24 -3.06 -3.12 4.21 0.00 -1.12 -4.75 120.51 113.92 1t8c n ALA 131 Ca 0.02 -0.41 -0.45 0.00 0.00 0.00 0.00 53.44 52.60 1t8c n ALA 131 Cb 0.41 -1.58 -0.01 0.00 0.00 0.00 0.00 19.45 18.27 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 -2.05 5.30 0.03 0.00 2.01 -1.26 -5.00 115.64 114.67 1t8c s THR 132 Ca 0.55 -2.45 0.06 0.00 0.31 0.00 0.00 61.69 60.16 1t8c s THR 132 Cb -0.30 -4.69 -0.02 0.00 0.01 0.00 0.00 72.50 67.50 1t8c s THR 132 CO 0.68 -1.34 -0.17 0.00 -0.69 0.00 0.00 174.62 173.09 1t8c s THR 134 N -0.74 -0.23 -0.28 0.00 -4.23 -1.26 -4.96 115.64 103.93 1t8c s THR 134 Ca 0.05 -1.95 -0.29 0.00 -1.18 0.00 0.00 61.69 58.33 1t8c s THR 134 Cb -0.08 -0.72 -0.02 0.00 1.34 0.00 0.00 72.50 73.02 1t8c s THR 134 CO 0.01 -0.71 1.69 -2.16 -0.54 0.00 0.00 174.62 172.90 1t8c s PRO 135 N 0.41 3.57 0.00 3.99 0.04 -1.26 -4.87 135.00 136.88 1t8c s PRO 135 Ca 0.32 1.50 0.05 0.00 0.04 0.00 0.00 61.00 62.91 1t8c s PRO 135 Cb 0.02 -4.11 0.31 0.00 0.04 0.00 0.00 34.50 30.77 1t8c s PRO 135 CO -0.14 -1.57 1.03 -0.35 0.04 0.00 0.00 177.00 176.02 1t8c n PRO 136 N 8.05 0.81 -1.59 0.56 -0.04 -1.26 -4.83 135.00 136.70 1t8c n PRO 136 Ca 0.20 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.23 1t8c n PRO 136 Cb 0.46 -1.10 -0.03 0.00 -0.04 0.00 0.00 33.50 32.79 1t8c n PRO 136 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1t8c n ALA 137 N -0.60 1.74 -1.63 0.55 0.00 -1.26 -4.96 120.51 114.35 1t8c n ALA 137 Ca 0.04 -0.23 -0.30 0.00 0.00 0.00 0.00 53.44 52.95 1t8c n ALA 137 Cb 0.02 -2.89 0.21 0.00 0.00 0.00 0.00 19.45 16.78 1t8c n ALA 137 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1t8c s SER 138 N 8.18 2.28 -1.45 0.00 1.04 -1.26 -4.17 113.70 118.32 1t8c s SER 138 Ca 1.01 0.38 -0.07 0.00 0.48 0.00 0.00 55.95 57.75 1t8c s SER 138 Cb -0.37 -0.48 0.03 0.00 0.10 0.00 0.00 66.02 65.30 1t8c s SER 138 CO 0.36 -3.26 0.63 1.21 0.98 0.00 0.00 173.24 173.16 1t8c n GLU 139 N -4.14 -4.64 -2.76 4.02 2.13 -1.26 -4.92 120.64 109.08 1t8c n GLU 139 Ca 0.15 0.74 -0.43 0.00 0.66 0.00 0.00 57.16 58.28 1t8c n GLU 139 Cb 0.59 -5.57 -0.03 0.00 0.27 0.00 0.00 31.44 26.70 1t8c n GLU 139 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1t8c s GLY 140 N -2.78 1.57 0.00 8.31 0.00 -1.26 -4.72 107.32 108.44 1t8c s GLY 140 Ca 0.37 -0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.78 1t8c s GLY 140 CO 0.46 2.08 0.00 -1.14 0.00 0.00 0.00 173.10 174.50 1t8c n SER 141 N 6.77 0.00 -2.32 1.64 3.41 -1.26 -5.03 113.62 116.83 1t8c n SER 141 Ca 0.08 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.52 1t8c n SER 141 Cb 0.48 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.41 1t8c n SER 141 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t8c n ALA 142 N -0.43 -0.64 1.89 7.33 0.00 -1.26 -5.34 120.51 122.07 1t8c n ALA 142 Ca 0.00 0.16 0.16 0.00 0.00 0.00 0.00 53.44 53.75 1t8c n ALA 142 Cb 0.00 -1.91 0.86 0.00 0.00 0.00 0.00 19.45 18.40 1t8c n ALA 142 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65