#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t8c h GLY 2 N 0.00 0.00 -5.34 5.00 0.00 -2.07 -3.44 103.07 97.22 1t8c h GLY 2 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1t8c h GLY 2 CO 0.00 0.00 -0.07 -1.36 0.00 0.00 0.00 176.54 175.11 1t8c s PHE 3 N -2.82 3.54 0.00 5.60 0.08 -1.26 -5.02 117.98 118.10 1t8c s PHE 3 Ca 0.01 1.01 0.00 0.00 0.12 0.00 0.00 56.93 58.07 1t8c s PHE 3 Cb 0.09 -2.62 0.00 0.00 -0.57 0.00 0.00 43.02 39.92 1t8c s PHE 3 CO 0.79 0.16 0.00 1.33 -0.10 0.00 0.00 175.22 177.40 1t8c n VAL 4 N 3.63 0.00 -0.42 -0.44 0.24 -1.26 -5.13 118.33 114.95 1t8c n VAL 4 Ca -0.06 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.21 1t8c n VAL 4 Cb 0.51 -0.60 0.03 0.00 -1.47 0.00 0.00 33.84 32.32 1t8c n VAL 4 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1t8c n ASN 6 N -3.22 3.58 -0.64 0.00 0.23 -1.26 -4.81 115.26 109.14 1t8c n ASN 6 Ca 0.02 -3.44 0.09 0.00 -0.53 0.00 0.00 54.58 50.71 1t8c n ASN 6 Cb 0.06 -0.52 0.28 0.00 -2.08 0.00 0.00 39.78 37.52 1t8c n ASN 6 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 1t8c n THR 7 N -0.25 0.35 -3.85 5.53 5.66 -1.26 -4.55 114.28 115.91 1t8c n THR 7 Ca 0.30 -0.43 -0.30 0.00 -3.05 0.00 0.00 64.05 60.57 1t8c n THR 7 Cb 0.62 0.34 -0.11 0.00 -1.55 0.00 0.00 70.33 69.63 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 5.53 0.00 0.00 0.00 0.13 -1.80 -3.46 132.00 132.40 1t8c h PRO 9 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1t8c h PRO 9 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1t8c h PRO 9 CO 0.74 0.00 0.00 -1.91 -0.23 0.00 0.00 178.00 176.60 1t8c n GLU 10 N -3.76 0.00 -0.29 0.86 4.07 -1.26 -4.87 120.64 115.39 1t8c n GLU 10 Ca -0.02 0.00 0.09 0.00 -0.06 0.00 0.00 57.16 57.17 1t8c n GLU 10 Cb 0.08 0.00 0.25 0.00 -0.06 0.00 0.00 31.44 31.71 1t8c n GLU 10 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1t8c h LYS 11 N 0.00 0.50 -6.82 5.31 1.57 -1.94 -3.40 116.57 111.79 1t8c h LYS 11 Ca 0.00 -0.03 -0.51 0.00 -1.87 0.00 0.00 60.65 58.24 1t8c h LYS 11 Cb 0.00 -0.11 0.04 0.00 0.08 0.00 0.00 32.23 32.24 1t8c h LYS 11 CO 0.00 0.33 0.56 -1.58 -0.57 0.00 0.00 179.45 178.19 1t8c s TRP 12 N -5.95 3.32 -0.06 -1.35 0.52 -1.25 -3.96 118.94 110.21 1t8c s TRP 12 Ca -0.12 1.53 0.00 0.00 0.02 0.00 0.00 56.10 57.54 1t8c s TRP 12 Cb 0.23 -3.48 0.02 0.00 -1.15 0.00 0.00 33.47 29.09 1t8c s TRP 12 CO 0.78 -1.23 -0.05 0.42 0.02 0.00 0.00 176.95 176.89 1t8c s ILE 13 N -1.02 0.66 0.12 2.03 -1.09 -0.68 -4.17 121.20 117.05 1t8c s ILE 13 Ca 0.47 -0.14 0.04 0.00 -2.23 0.00 0.00 60.65 58.79 1t8c s ILE 13 Cb -0.36 -0.70 -0.04 0.00 -1.58 0.00 0.00 42.46 39.78 1t8c s ILE 13 CO 0.46 0.27 0.08 0.21 -1.23 0.00 0.00 174.94 174.73 1t8c s ASN 14 N 1.24 5.39 0.00 3.58 3.84 -1.26 0.97 114.94 128.70 1t8c s ASN 14 Ca -0.05 -0.11 0.00 0.00 0.21 0.00 0.00 52.86 52.91 1t8c s ASN 14 Cb -0.14 -1.39 0.00 0.00 -0.55 0.00 0.00 41.25 39.18 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 0.14 0.00 -0.26 0.43 3.72 0.17 -4.95 117.46 116.71 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 -0.56 -0.05 0.00 0.00 176.76 176.15 1t8c h GLN 16 N 0.00 0.33 0.00 -1.08 3.07 -2.01 -3.39 115.11 112.03 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 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 27.49 1t8c h GLN 16 CO 0.00 0.22 0.00 2.89 0.09 0.00 0.00 178.83 182.03 1t8c n ARG 17 N -5.09 0.00 -4.29 0.06 1.85 -1.26 -5.09 116.66 102.84 1t8c n ARG 17 Ca 0.15 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.75 1t8c n ARG 17 Cb 0.46 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.79 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 0.32 2.89 -2.85 -1.26 -3.57 119.74 117.48 1t8c s LYS 18 Ca 0.00 -1.37 0.07 0.00 -1.00 0.00 0.00 55.97 53.67 1t8c s LYS 18 Cb 0.00 -2.16 -0.06 0.00 -2.06 0.00 0.00 37.83 33.55 1t8c s LYS 18 CO 0.00 0.39 -0.03 0.00 0.10 0.00 0.00 175.35 175.81 1t8c s TYR 20 N -2.94 2.02 -0.43 0.00 1.51 0.27 -1.06 117.35 116.72 1t8c s TYR 20 Ca 0.32 -0.69 -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 0.41 -0.47 -1.11 0.00 0.00 175.55 174.26 1t8c s TYR 21 N 0.21 3.19 -0.25 2.71 5.04 0.25 -1.68 117.35 126.81 1t8c s TYR 21 Ca -0.10 -0.48 -0.12 0.00 -2.44 0.00 0.00 57.07 53.93 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 0.05 -0.70 0.24 -0.06 -1.34 0.00 0.00 175.55 173.74 1t8c s PHE 22 N 2.01 3.28 0.36 4.97 0.40 -1.25 -0.45 117.98 127.29 1t8c s PHE 22 Ca 0.10 0.28 0.03 0.00 -0.60 0.00 0.00 56.93 56.74 1t8c s PHE 22 Cb -0.18 -2.40 -0.04 0.00 0.51 0.00 0.00 43.02 40.90 1t8c s PHE 22 CO 0.12 -0.08 0.09 0.20 0.70 0.00 0.00 175.22 176.26 1t8c s GLY 23 N 1.40 2.29 0.04 4.36 0.00 0.72 -4.76 107.32 111.36 1t8c s GLY 23 Ca 0.10 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.18 1t8c s GLY 23 CO 0.08 -1.80 -0.04 1.25 0.00 0.00 0.00 173.10 172.59 1t8c s LYS 24 N -3.83 0.45 0.00 2.90 2.20 -1.26 -1.32 119.74 118.88 1t8c s LYS 24 Ca 0.31 -0.83 0.00 0.00 -0.36 0.00 0.00 55.97 55.09 1t8c s LYS 24 Cb 0.06 0.05 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 1t8c s LYS 24 CO 0.15 -0.05 0.00 0.41 -0.36 0.00 0.00 175.35 175.50 1t8c n GLY 25 N 1.11 -2.72 0.00 5.54 0.00 -0.62 -4.80 105.19 103.70 1t8c n GLY 25 Ca -0.21 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 0.05 0.00 0.00 2.61 -1.04 -1.26 -4.87 114.28 109.77 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 -2.25 -2.82 5.02 -1.26 -4.99 118.16 111.86 1t8c n LYS 27 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 1t8c n LYS 27 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 1t8c n LYS 27 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1t8c n GLN 28 N 0.00 1.56 -0.00 1.97 6.02 -1.26 -4.71 117.38 120.95 1t8c n GLN 28 Ca 0.00 -0.34 -0.11 0.00 -0.01 0.00 0.00 57.00 56.54 1t8c n GLN 28 Cb 0.00 0.12 -0.05 0.00 1.02 0.00 0.00 30.24 31.33 1t8c n GLN 28 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 177.06 178.40 1t8c h TRP 29 N 1.04 0.13 -0.56 1.08 7.01 -1.97 -1.94 115.95 120.75 1t8c h TRP 29 Ca -0.04 0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.10 1t8c h TRP 29 Cb 0.12 -0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.11 1t8c h TRP 29 CO 0.00 0.10 0.39 -0.39 -2.79 0.00 0.00 178.44 175.75 1t8c h VAL 30 N 0.13 0.78 -0.05 2.65 -1.51 -1.97 0.19 116.25 116.46 1t8c h VAL 30 Ca 0.04 -0.05 -0.15 0.00 -1.23 0.00 0.00 66.70 65.31 1t8c h VAL 30 Cb 0.00 0.63 -0.01 0.00 -2.13 0.00 0.00 31.29 29.78 1t8c h VAL 30 CO -0.01 0.03 -0.63 0.45 -1.23 0.00 0.00 177.57 176.18 1t8c h HIS 31 N 0.14 0.25 -0.03 5.19 3.86 -1.76 -2.25 115.15 120.56 1t8c h HIS 31 Ca 0.27 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.36 1t8c h HIS 31 Cb 0.86 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 29.29 1t8c h HIS 31 CO -0.00 0.77 -0.05 0.00 0.86 0.00 0.00 177.93 179.51 1t8c h ALA 32 N 1.20 0.05 -0.78 2.45 0.00 -0.17 -0.54 119.26 121.47 1t8c h ALA 32 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1t8c h ALA 32 Cb 1.14 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1t8c h ALA 32 CO 0.09 -0.14 0.50 0.07 0.00 0.00 0.00 179.25 179.78 1t8c h ARG 33 N -0.42 1.05 -0.11 0.00 -0.00 -1.35 -0.82 114.38 112.73 1t8c h ARG 33 Ca 0.00 -0.08 -0.17 0.00 -0.00 0.00 0.00 59.98 59.74 1t8c h ARG 33 Cb 0.60 -0.23 -0.01 0.00 -0.00 0.00 0.00 29.97 30.34 1t8c h ARG 33 CO 0.01 0.71 -0.65 -0.92 -0.00 0.00 0.00 179.97 179.13 1t8c h TYR 34 N 1.07 0.55 -0.43 4.08 5.03 -1.39 -1.53 116.97 124.34 1t8c h TYR 34 Ca 0.29 -0.22 -0.15 0.00 2.58 0.00 0.00 58.73 61.23 1t8c h TYR 34 Cb -0.09 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.09 1t8c h TYR 34 CO 0.00 0.95 -0.31 0.00 -1.32 0.00 0.00 178.16 177.48 1t8c h ALA 35 N 1.00 0.62 0.00 1.82 0.00 -0.43 -2.05 119.26 120.22 1t8c h ALA 35 Ca -0.01 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.35 1t8c h ALA 35 Cb 1.20 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1t8c h ALA 35 CO 0.11 0.67 -0.57 0.00 0.00 0.00 0.00 179.25 179.46 1t8c h ASP 37 N 0.00 0.00 -0.98 0.00 3.58 -1.12 -1.16 116.42 116.75 1t8c h ASP 37 Ca -0.01 0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.49 1t8c h ASP 37 Cb 1.24 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.23 1t8c h ASP 37 CO 0.07 0.21 0.64 -0.78 -2.88 0.00 0.00 179.24 176.50 1t8c h ASP 38 N 0.00 1.05 0.00 2.28 3.58 -1.24 -3.44 116.42 118.65 1t8c h ASP 38 Ca -0.00 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1t8c h ASP 38 Cb 0.90 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.72 1t8c h ASP 38 CO 0.03 0.70 0.00 1.15 -2.88 0.00 0.00 179.24 178.24 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 -0.01 0.00 0.00 3.17 -0.58 -1.03 -5.00 120.64 117.19 1t8c n GLU 40 Ca 0.00 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 1t8c n GLU 40 Cb 0.00 -0.54 0.00 0.00 -0.57 0.00 0.00 31.44 30.33 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 -0.07 0.05 3.40 0.62 0.00 -0.47 -4.83 105.19 103.89 1t8c n GLY 41 Ca 0.00 0.30 -0.10 0.00 0.00 0.00 0.00 46.02 46.22 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 0.64 1.20 -0.33 1.61 0.74 0.26 -4.58 119.66 119.20 1t8c s GLN 42 Ca 0.00 -0.81 -0.29 0.00 0.05 0.00 0.00 55.36 54.31 1t8c s GLN 42 Cb 0.00 0.48 -0.00 0.00 1.10 0.00 0.00 33.01 34.59 1t8c s GLN 42 CO 0.00 -0.49 1.42 -1.17 -0.55 0.00 0.00 175.29 174.50 1t8c s LEU 43 N -2.85 3.75 0.00 3.68 2.96 -1.26 0.40 118.68 125.36 1t8c s LEU 43 Ca 0.07 1.13 0.00 0.00 -0.22 0.00 0.00 54.13 55.11 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 -1.28 0.10 1.33 -1.32 0.00 0.00 176.35 175.11 1t8c n VAL 44 N 6.64 0.00 -2.98 1.68 0.24 -1.26 -3.37 118.33 119.28 1t8c n VAL 44 Ca 0.16 0.15 -0.12 0.00 -2.04 0.00 0.00 64.34 62.50 1t8c n VAL 44 Cb 0.47 -0.20 0.06 0.00 -1.47 0.00 0.00 33.84 32.69 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 -1.82 -2.63 -4.39 -1.34 2.88 -1.26 -4.54 113.62 100.51 1t8c n SER 45 Ca 0.00 -0.39 -0.47 0.00 -1.33 0.00 0.00 58.87 56.68 1t8c n SER 45 Cb 0.00 -3.46 -0.03 0.00 -0.75 0.00 0.00 64.21 59.97 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 -3.25 1.88 -0.51 2.46 -5.35 -1.26 -4.80 119.36 108.54 1t8c n ILE 46 Ca -0.15 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.83 1t8c n ILE 46 Cb 0.59 -0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.48 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 -0.09 0.00 -4.48 4.28 1.44 -1.26 -4.83 115.22 110.28 1t8c n HIS 47 Ca 0.17 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.55 1t8c n HIS 47 Cb 0.26 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.21 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 -0.08 3.31 0.57 4.39 0.01 -1.26 -4.81 113.70 115.82 1t8c s SER 48 Ca 0.00 -0.57 0.36 0.00 1.31 0.00 0.00 55.95 57.05 1t8c s SER 48 Cb 0.00 -1.50 1.47 0.00 0.21 0.00 0.00 66.02 66.20 1t8c s SER 48 CO 0.00 0.06 1.70 -0.65 0.41 0.00 0.00 173.24 174.76 1t8c h PRO 49 N 7.48 0.00 -0.05 12.44 0.11 -1.96 0.42 132.00 150.44 1t8c h PRO 49 Ca -0.36 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.69 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 0.58 0.00 -0.24 1.49 -0.21 0.00 0.00 178.00 179.62 1t8c h GLU 50 N 0.00 0.24 -0.51 1.05 4.81 -1.97 -1.43 114.58 116.77 1t8c h GLU 50 Ca 0.55 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 59.53 1t8c h GLU 50 Cb 2.42 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 31.82 1t8c h GLU 50 CO -0.01 0.85 0.12 0.93 -0.73 0.00 0.00 179.01 180.18 1t8c h GLU 51 N -0.31 0.81 -0.57 1.92 5.08 -0.68 0.41 114.58 121.25 1t8c h GLU 51 Ca -0.02 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.10 1t8c h GLU 51 Cb 0.90 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 1t8c h GLU 51 CO 0.05 0.78 0.19 -0.56 -1.00 0.00 0.00 179.01 178.47 1t8c h GLN 52 N 0.70 0.87 -0.29 2.33 -0.00 -1.11 -1.94 115.11 115.68 1t8c h GLN 52 Ca 0.16 -0.18 -0.09 0.00 -0.00 0.00 0.00 58.65 58.54 1t8c h GLN 52 Cb 0.34 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.48 27.67 1t8c h GLN 52 CO 0.00 0.78 -0.19 0.22 -0.00 0.00 0.00 178.83 179.65 1t8c h ASP 53 N 0.79 0.51 0.15 0.06 3.58 -1.00 0.16 116.42 120.68 1t8c h ASP 53 Ca 0.18 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 1t8c h ASP 53 Cb 0.27 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.18 1t8c h ASP 53 CO -0.01 0.71 -0.07 -0.26 -2.88 0.00 0.00 179.24 176.73 1t8c h PHE 54 N 0.47 -0.19 -0.06 0.28 0.04 0.44 0.44 116.94 118.36 1t8c h PHE 54 Ca 0.08 -0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.63 1t8c h PHE 54 Cb 0.59 0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.81 1t8c h PHE 54 CO 0.02 -0.10 -0.84 1.37 -0.60 0.00 0.00 178.31 178.16 1t8c h LEU 55 N -0.22 0.64 -1.13 1.54 8.10 -1.31 -0.74 115.31 122.19 1t8c h LEU 55 Ca -0.02 -0.46 0.01 0.00 0.11 0.00 0.00 57.88 57.52 1t8c h LEU 55 Cb 0.17 -0.19 -0.04 0.00 -0.44 0.00 0.00 40.66 40.16 1t8c h LEU 55 CO 0.03 1.23 0.57 0.74 -4.11 0.00 0.00 178.44 176.90 1t8c h THR 56 N 0.33 1.23 0.01 0.15 2.02 -0.52 0.49 112.91 116.61 1t8c h THR 56 Ca -0.06 -0.43 -0.22 0.00 0.77 0.00 0.00 66.41 66.48 1t8c h THR 56 Cb 1.45 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1t8c h THR 56 CO 0.15 0.22 -0.92 0.50 0.37 0.00 0.00 175.52 175.84 1t8c h LYS 57 N 1.18 0.32 -0.02 6.66 3.64 -0.05 -3.04 116.57 125.26 1t8c h LYS 57 Ca 0.32 -0.35 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 1t8c h LYS 57 Cb -0.12 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1t8c h LYS 57 CO -0.07 1.05 -0.26 1.25 -2.27 0.00 0.00 179.45 179.15 1t8c h HIS 58 N 0.18 0.04 -1.81 1.91 2.76 0.25 -3.41 115.15 115.06 1t8c h HIS 58 Ca -0.07 -0.01 -0.50 0.00 -2.20 0.00 0.00 60.37 57.60 1t8c h HIS 58 Cb 1.56 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 30.51 1t8c h HIS 58 CO 0.05 0.30 1.54 0.00 -1.30 0.00 0.00 177.93 178.52 1t8c s ALA 59 N -4.44 2.00 -0.18 5.26 0.00 0.16 -4.76 121.76 119.79 1t8c s ALA 59 Ca -0.04 0.09 0.18 0.00 0.00 0.00 0.00 51.96 52.19 1t8c s ALA 59 Cb 0.15 -4.27 -0.25 0.00 0.00 0.00 0.00 23.12 18.75 1t8c s ALA 59 CO 0.72 -3.95 0.13 0.43 0.00 0.00 0.00 175.76 173.09 1t8c n SER 60 N 14.29 0.08 0.04 0.00 7.64 -1.26 -4.63 113.62 129.78 1t8c n SER 60 Ca 0.32 0.04 -0.03 0.00 1.01 0.00 0.00 58.87 60.21 1t8c n SER 60 Cb 0.52 0.93 -0.01 0.00 -1.01 0.00 0.00 64.21 64.64 1t8c n SER 60 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1t8c h HIS 61 N 0.00 -0.16 0.00 1.43 -0.00 -1.86 -3.49 115.15 111.07 1t8c h HIS 61 Ca -0.51 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.85 1t8c h HIS 61 Cb 2.20 0.05 0.00 0.00 -0.00 0.00 0.00 27.41 29.66 1t8c h HIS 61 CO 0.00 -0.10 0.00 2.41 -0.00 0.00 0.00 177.93 180.24 1t8c n THR 62 N -4.29 0.00 -3.87 6.26 -1.04 -1.26 -4.89 114.28 105.19 1t8c n THR 62 Ca -0.02 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.94 1t8c n THR 62 Cb 0.07 -0.15 0.02 0.00 -1.82 0.00 0.00 70.33 68.45 1t8c n THR 62 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1t8c s GLY 63 N -2.98 0.23 0.30 3.41 0.00 -1.26 -4.74 107.32 102.28 1t8c s GLY 63 Ca 0.00 -0.51 0.10 0.00 0.00 0.00 0.00 44.72 44.31 1t8c s GLY 63 CO 0.00 1.71 -0.02 -1.35 0.00 0.00 0.00 173.10 173.44 1t8c s SER 64 N -3.33 4.23 -0.14 1.64 1.04 -1.26 -0.78 113.70 115.10 1t8c s SER 64 Ca 0.20 -0.87 -0.04 0.00 0.48 0.00 0.00 55.95 55.73 1t8c s SER 64 Cb -0.04 -0.61 -0.03 0.00 0.10 0.00 0.00 66.02 65.44 1t8c s SER 64 CO 0.08 -0.11 0.00 0.26 0.98 0.00 0.00 173.24 174.45 1t8c s TRP 65 N -2.44 3.13 0.35 5.02 0.51 -1.08 -4.01 118.94 120.41 1t8c s TRP 65 Ca 0.33 -0.06 0.08 0.00 -2.12 0.00 0.00 56.10 54.33 1t8c s TRP 65 Cb -0.03 -1.95 -0.04 0.00 -0.81 0.00 0.00 33.47 30.64 1t8c s TRP 65 CO 0.19 0.16 0.18 0.96 -0.51 0.00 0.00 176.95 177.93 1t8c s ILE 66 N 0.03 3.01 -0.66 2.03 -4.36 -1.26 -3.89 121.20 116.10 1t8c s ILE 66 Ca 0.03 -1.63 -0.07 0.00 -0.26 0.00 0.00 60.65 58.72 1t8c s ILE 66 Cb -0.13 -3.01 -0.16 0.00 1.25 0.00 0.00 42.46 40.41 1t8c s ILE 66 CO 0.02 -0.15 3.00 0.61 0.24 0.00 0.00 174.94 178.66 1t8c n GLY 67 N -1.21 3.29 3.03 6.27 0.00 -1.22 -4.62 105.19 110.73 1t8c n GLY 67 Ca -0.02 -1.18 -0.27 0.00 0.00 0.00 0.00 46.02 44.55 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 0.07 1.64 -0.04 0.99 0.20 -1.26 -1.35 118.68 118.92 1t8c s LEU 68 Ca 0.60 -0.37 -0.02 0.00 0.69 0.00 0.00 54.13 55.04 1t8c s LEU 68 Cb 0.22 -0.97 0.03 0.00 -0.43 0.00 0.00 46.19 45.05 1t8c s LEU 68 CO -0.02 0.01 0.04 -0.60 -0.29 0.00 0.00 176.35 175.49 1t8c s ARG 69 N 0.93 0.04 0.42 1.98 3.00 0.15 -3.55 118.95 121.92 1t8c s ARG 69 Ca -0.09 0.30 -0.13 0.00 -1.00 0.00 0.00 55.73 54.82 1t8c s ARG 69 Cb -0.15 -0.54 -0.07 0.00 0.00 0.00 0.00 34.95 34.19 1t8c s ARG 69 CO 0.00 -0.30 0.82 1.21 0.00 0.00 0.00 175.30 177.04 1t8c s ASN 70 N 1.94 6.58 -1.04 -2.12 2.47 -1.24 -1.28 114.94 120.25 1t8c s ASN 70 Ca 0.02 1.26 -0.24 0.00 0.42 0.00 0.00 52.86 54.33 1t8c s ASN 70 Cb -0.12 -2.38 -0.07 0.00 -1.45 0.00 0.00 41.25 37.23 1t8c s ASN 70 CO -0.03 -0.43 1.95 -0.76 -3.72 0.00 0.00 177.10 174.11 1t8c s LEU 71 N -3.81 3.10 0.00 3.21 1.43 -0.32 -4.71 118.68 117.58 1t8c s LEU 71 Ca 0.54 -1.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 1t8c s LEU 71 Cb -0.10 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.54 1t8c s LEU 71 CO 0.30 -2.95 0.00 -0.67 0.23 0.00 0.00 176.35 173.26 1t8c n ASP 72 N 14.32 0.00 -1.23 2.29 2.03 -1.26 -1.52 116.55 131.18 1t8c n ASP 72 Ca 0.43 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.68 1t8c n ASP 72 Cb 0.47 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.82 1t8c n ASP 72 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1t8c n LEU 73 N 0.00 -0.93 0.20 -2.67 -0.00 -1.26 -4.12 117.00 108.22 1t8c n LEU 73 Ca 0.00 -2.14 0.14 0.00 -0.00 0.00 0.00 56.01 54.00 1t8c n LEU 73 Cb 0.00 0.01 0.40 0.00 -0.00 0.00 0.00 43.42 43.84 1t8c n LEU 73 CO 0.00 1.47 0.88 0.11 -0.00 0.00 0.00 177.39 179.85 1t8c h LYS 74 N 0.18 0.00 0.00 1.47 1.57 -1.66 -3.46 116.57 114.67 1t8c h LYS 74 Ca -0.54 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 1t8c h LYS 74 Cb 1.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.73 1t8c h LYS 74 CO -0.26 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.03 1t8c n GLY 75 N 0.70 1.02 3.01 3.86 0.00 -1.26 -5.09 105.19 107.43 1t8c n GLY 75 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 1t8c n GLY 75 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1t8c s GLU 76 N -0.45 1.97 0.10 1.61 -1.05 -1.26 -5.06 118.70 114.55 1t8c s GLU 76 Ca 0.00 -0.46 -0.10 0.00 -0.15 0.00 0.00 54.97 54.25 1t8c s GLU 76 Cb 0.00 -1.75 -0.06 0.00 -0.44 0.00 0.00 34.13 31.88 1t8c s GLU 76 CO 0.00 -0.11 0.43 -0.59 0.95 0.00 0.00 175.26 175.94 1t8c s PHE 77 N 1.15 3.58 -0.04 4.83 -0.12 -1.26 -1.17 117.98 124.94 1t8c s PHE 77 Ca -0.04 0.82 -0.04 0.00 -0.05 0.00 0.00 56.93 57.62 1t8c s PHE 77 Cb -0.14 -2.19 0.01 0.00 -0.63 0.00 0.00 43.02 40.07 1t8c s PHE 77 CO -0.03 0.49 0.12 0.42 -0.05 0.00 0.00 175.22 176.17 1t8c s ILE 78 N -1.44 0.01 0.51 -4.49 1.01 -0.41 -3.46 121.20 112.94 1t8c s ILE 78 Ca 0.35 -0.08 -0.19 0.00 0.00 0.00 0.00 60.65 60.73 1t8c s ILE 78 Cb -0.14 -0.20 -0.07 0.00 0.01 0.00 0.00 42.46 42.06 1t8c s ILE 78 CO 0.19 -0.04 1.04 0.26 0.00 0.00 0.00 174.94 176.39 1t8c s TRP 79 N -0.09 3.00 0.58 3.97 0.51 -0.33 0.30 118.94 126.89 1t8c s TRP 79 Ca -0.02 1.56 0.28 0.00 -2.12 0.00 0.00 56.10 55.81 1t8c s TRP 79 Cb -0.02 -3.05 1.74 0.00 -0.81 0.00 0.00 33.47 31.34 1t8c s TRP 79 CO 0.00 -0.89 2.22 -0.24 -0.51 0.00 0.00 176.95 177.52 1t8c h VAL 80 N 1.27 0.56 0.00 4.03 3.04 -1.53 0.18 116.25 123.80 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 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 31.47 1t8c h VAL 80 CO 0.59 0.00 0.00 -0.67 -1.01 0.00 0.00 177.57 176.48 1t8c n ASP 81 N -3.90 0.00 -1.35 3.17 2.03 -1.26 -4.85 116.55 110.39 1t8c n ASP 81 Ca -0.02 -1.26 -0.05 0.00 0.52 0.00 0.00 54.79 53.98 1t8c n ASP 81 Cb 0.13 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.55 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 0.54 0.50 2.75 0.27 0.00 0.62 -5.06 105.19 104.81 1t8c n GLY 82 Ca 0.11 -0.42 -0.19 0.00 0.00 0.00 0.00 46.02 45.52 1t8c n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1t8c s SER 83 N -3.15 1.17 0.28 1.61 1.04 -1.20 -4.94 113.70 108.51 1t8c s SER 83 Ca 0.11 0.06 -0.28 0.00 0.48 0.00 0.00 55.95 56.31 1t8c s SER 83 Cb -0.05 0.10 -0.15 0.00 0.10 0.00 0.00 66.02 66.03 1t8c s SER 83 CO 0.18 -0.27 0.91 0.00 0.98 0.00 0.00 173.24 175.04 1t8c n HIS 84 N 5.31 0.92 -1.42 5.02 1.44 -1.26 -1.19 115.22 124.04 1t8c n HIS 84 Ca -0.05 0.75 -0.36 0.00 -2.01 0.00 0.00 57.72 56.06 1t8c n HIS 84 Cb 0.50 -2.19 0.08 0.00 0.12 0.00 0.00 29.99 28.50 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 0.16 3.13 0.00 0.61 0.31 -1.22 -4.76 118.33 116.56 1t8c n VAL 85 Ca 0.11 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1t8c n VAL 85 Cb 0.31 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 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 -1.67 0.00 -0.03 4.52 8.00 -1.26 -4.93 116.55 121.17 1t8c n ASP 86 Ca 0.13 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.49 1t8c n ASP 86 Cb 0.49 -0.02 -0.11 0.00 -0.02 0.00 0.00 41.12 41.47 1t8c n ASP 86 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 1t8c h TYR 87 N 0.00 0.19 -2.60 1.24 -1.99 -1.94 -3.50 116.97 108.37 1t8c h TYR 87 Ca 0.00 -0.09 0.28 0.00 2.00 0.00 0.00 58.73 60.92 1t8c h TYR 87 Cb 0.00 -0.03 -0.09 0.00 2.00 0.00 0.00 36.73 38.61 1t8c h TYR 87 CO 0.00 0.83 -0.55 -1.13 -0.00 0.00 0.00 178.16 177.31 1t8c n SER 88 N -4.60 -6.41 0.00 3.88 3.41 -1.26 -4.88 113.62 103.76 1t8c n SER 88 Ca -0.09 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 1t8c n SER 88 Cb 0.43 -3.66 0.00 0.00 -0.26 0.00 0.00 64.21 60.72 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 -4.30 1.60 0.00 4.04 3.02 -1.26 -5.05 115.26 113.31 1t8c n ASN 89 Ca -0.01 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 1t8c n ASN 89 Cb 0.63 0.35 0.00 0.00 -0.61 0.00 0.00 39.78 40.15 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 -0.51 0.00 -1.67 3.10 7.02 -1.26 -4.34 117.44 119.79 1t8c n TRP 90 Ca 0.00 0.00 -0.45 0.00 -1.02 0.00 0.00 57.50 56.03 1t8c n TRP 90 Cb 0.00 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 28.87 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 0.29 1.04 0.10 6.99 0.00 0.26 -4.90 120.51 124.29 1t8c n ALA 91 Ca 0.00 0.41 -0.04 0.00 0.00 0.00 0.00 53.44 53.81 1t8c n ALA 91 Cb 0.00 -2.26 0.14 0.00 0.00 0.00 0.00 19.45 17.33 1t8c n ALA 91 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1t8c h PRO 92 N 3.93 0.16 -2.99 0.00 0.13 -1.89 -3.38 132.00 127.96 1t8c h PRO 92 Ca -0.45 -0.11 -0.61 0.00 -0.87 0.00 0.00 66.00 63.95 1t8c h PRO 92 Cb 1.28 0.02 -0.40 0.00 0.13 0.00 0.00 31.00 32.02 1t8c h PRO 92 CO 0.74 0.72 -0.72 0.20 -0.23 0.00 0.00 178.00 178.71 1t8c s GLY 93 N -4.37 2.00 -0.32 1.56 0.00 -1.26 -5.02 107.32 99.91 1t8c s GLY 93 Ca -0.03 -2.94 0.05 0.00 0.00 0.00 0.00 44.72 41.80 1t8c s GLY 93 CO 0.79 1.44 0.52 1.85 0.00 0.00 0.00 173.10 177.69 1t8c s GLU 94 N -0.16 0.56 -0.38 2.90 2.56 -1.26 -5.04 118.70 117.88 1t8c s GLU 94 Ca 0.21 0.15 -0.28 0.00 0.00 0.00 0.00 54.97 55.05 1t8c s GLU 94 Cb -0.17 -0.04 -0.02 0.00 2.00 0.00 0.00 34.13 35.90 1t8c s GLU 94 CO -0.06 -1.08 1.82 -1.25 -0.56 0.00 0.00 175.26 174.13 1t8c s PRO 95 N 2.45 3.18 0.24 4.30 0.04 -1.26 -4.97 135.00 138.98 1t8c s PRO 95 Ca 0.11 1.28 -0.30 0.00 0.04 0.00 0.00 61.00 62.14 1t8c s PRO 95 Cb -0.10 -4.24 -0.09 0.00 0.04 0.00 0.00 34.50 30.11 1t8c s PRO 95 CO -0.22 -2.04 1.07 -0.08 0.04 0.00 0.00 177.00 175.77 1t8c s THR 96 N 7.40 3.70 0.34 1.26 -1.32 -1.26 -5.04 115.64 120.71 1t8c s THR 96 Ca 0.78 1.63 -0.05 0.00 -1.21 0.00 0.00 61.69 62.83 1t8c s THR 96 Cb -0.20 -4.04 -0.05 0.00 -1.51 0.00 0.00 72.50 66.70 1t8c s THR 96 CO 0.31 0.35 0.61 -0.44 -2.21 0.00 0.00 174.62 173.25 1t8c s SER 97 N -0.68 6.42 -0.14 8.08 0.01 -1.26 -5.09 113.70 121.04 1t8c s SER 97 Ca 0.45 0.77 -0.02 0.00 1.31 0.00 0.00 55.95 58.46 1t8c s SER 97 Cb -0.30 -2.17 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 1t8c s SER 97 CO 0.38 -0.28 -0.08 -0.60 0.41 0.00 0.00 173.24 173.06 1t8c s ARG 98 N -3.84 3.48 0.00 12.44 3.52 -1.26 -4.83 118.95 128.46 1t8c s ARG 98 Ca 0.45 -0.60 0.00 0.00 -0.13 0.00 0.00 55.73 55.45 1t8c s ARG 98 Cb -0.10 -2.76 0.00 0.00 -1.56 0.00 0.00 34.95 30.52 1t8c s ARG 98 CO 0.33 0.26 0.00 0.43 -0.81 0.00 0.00 175.30 175.51 1t8c n SER 99 N 3.42 0.00 -4.53 -2.12 7.64 -1.26 -5.15 113.62 111.62 1t8c n SER 99 Ca -0.18 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.41 1t8c n SER 99 Cb 0.53 0.44 -0.08 0.00 -1.01 0.00 0.00 64.21 64.08 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 -1.92 2.04 -0.43 1.43 -1.52 -1.26 -5.07 119.66 112.93 1t8c s GLN 100 Ca 0.00 -2.26 0.04 0.00 -1.95 0.00 0.00 55.36 51.19 1t8c s GLN 100 Cb 0.00 -1.22 0.44 0.00 -0.22 0.00 0.00 33.01 32.01 1t8c s GLN 100 CO 0.00 -0.34 1.41 0.41 -0.25 0.00 0.00 175.29 176.51 1t8c n GLY 101 N -1.08 6.18 0.00 3.09 0.00 -1.26 -4.86 105.19 107.26 1t8c n GLY 101 Ca -0.12 -2.60 0.00 0.00 0.00 0.00 0.00 46.02 43.30 1t8c n GLY 101 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1t8c n GLU 102 N -0.71 0.88 -3.12 1.61 2.13 -1.26 -4.70 120.64 115.48 1t8c n GLU 102 Ca 0.48 0.00 0.04 0.00 0.66 0.00 0.00 57.16 58.34 1t8c n GLU 102 Cb 0.81 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.52 1t8c n GLU 102 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 1t8c s ASP 103 N -1.02 -1.09 -0.02 4.31 -4.77 1.00 -4.20 116.67 110.87 1t8c s ASP 103 Ca 0.00 -0.04 -0.25 0.00 -3.30 0.00 0.00 52.55 48.96 1t8c s ASP 103 Cb 0.00 1.61 0.05 0.00 -1.09 0.00 0.00 42.92 43.49 1t8c s ASP 103 CO 0.00 -0.18 0.55 0.00 0.70 0.00 0.00 175.17 176.24 1t8c s VAL 105 N -1.42 4.05 0.27 0.00 1.01 -1.23 -2.66 120.40 120.41 1t8c s VAL 105 Ca -0.11 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 61.59 1t8c s VAL 105 Cb -0.02 -2.74 -0.06 0.00 0.00 0.00 0.00 36.38 33.57 1t8c s VAL 105 CO 0.07 0.54 0.02 0.00 0.00 0.00 0.00 175.10 175.72 1t8c s MET 106 N -0.17 1.49 -0.05 2.72 0.23 -0.61 -4.22 119.30 118.70 1t8c s MET 106 Ca 0.04 -1.78 0.06 0.00 -1.03 0.00 0.00 55.69 52.97 1t8c s MET 106 Cb -0.13 -0.77 -0.01 0.00 -1.53 0.00 0.00 34.83 32.39 1t8c s MET 106 CO 0.02 -0.12 -0.22 0.00 -2.03 0.00 0.00 175.02 172.68 1t8c s MET 107 N -3.86 2.14 0.00 3.16 0.23 -1.26 0.11 119.30 119.83 1t8c s MET 107 Ca 0.32 -0.78 0.00 0.00 -1.03 0.00 0.00 55.69 54.20 1t8c s MET 107 Cb 0.07 -1.87 0.00 0.00 -1.53 0.00 0.00 34.83 31.50 1t8c s MET 107 CO 0.12 0.35 0.00 -2.13 -2.03 0.00 0.00 175.02 171.33 1t8c n ARG 108 N 2.95 -1.32 0.00 3.16 0.63 -0.90 -4.31 116.66 116.86 1t8c n ARG 108 Ca -0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.76 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 -0.10 0.95 0.01 5.14 0.00 -1.26 -4.02 105.19 105.91 1t8c n GLY 109 Ca 0.00 -0.58 0.09 0.00 0.00 0.00 0.00 46.02 45.53 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 2.86 1.00 0.00 1.61 7.64 -1.26 -4.97 113.62 120.49 1t8c n SER 110 Ca 0.00 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1t8c n SER 110 Cb 0.00 1.78 0.00 0.00 -1.01 0.00 0.00 64.21 64.98 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 1.51 1.00 0.00 0.23 0.00 -1.26 -5.12 105.19 101.55 1t8c n GLY 111 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 3.86 -3.97 1.61 0.00 -1.26 -4.72 116.66 112.18 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 -0.04 0.00 -0.00 0.00 0.00 32.46 32.42 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 1.18 2.94 -0.04 2.89 0.52 -1.26 -2.11 118.94 123.05 1t8c s TRP 113 Ca 0.00 -0.24 -0.02 0.00 0.02 0.00 0.00 56.10 55.86 1t8c s TRP 113 Cb 0.00 -1.61 0.03 0.00 -1.15 0.00 0.00 33.47 30.74 1t8c s TRP 113 CO 0.00 0.34 0.06 -0.80 0.02 0.00 0.00 176.95 176.57 1t8c s ASN 114 N -3.91 1.16 -0.43 2.95 -0.87 0.31 0.92 114.94 115.07 1t8c s ASN 114 Ca 0.37 0.07 -0.17 0.00 -1.57 0.00 0.00 52.86 51.56 1t8c s ASN 114 Cb -0.06 -0.14 0.03 0.00 -0.02 0.00 0.00 41.25 41.05 1t8c s ASN 114 CO 0.25 -0.25 0.45 -0.62 -2.57 0.00 0.00 177.10 174.36 1t8c s ASP 115 N 2.17 6.20 0.17 -1.22 -1.08 -1.26 -1.57 116.67 120.07 1t8c s ASP 115 Ca 0.05 -0.72 -0.19 0.00 -0.52 0.00 0.00 52.55 51.17 1t8c s ASP 115 Cb -0.12 -2.23 0.04 0.00 -1.46 0.00 0.00 42.92 39.15 1t8c s ASP 115 CO -0.03 -0.61 0.52 0.00 0.52 0.00 0.00 175.17 175.57 1t8c s ALA 116 N 2.15 -1.15 0.00 3.66 0.00 -1.09 -5.03 121.76 120.31 1t8c s ALA 116 Ca 0.12 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1t8c s ALA 116 Cb -0.17 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.76 1t8c s ALA 116 CO 0.13 -0.76 0.44 1.19 0.00 0.00 0.00 175.76 176.77 1t8c n PHE 117 N -0.32 0.00 0.00 0.00 3.72 -1.26 -1.81 117.46 117.79 1t8c n PHE 117 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1t8c n PHE 117 Cb 0.63 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 1t8c n PHE 117 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1t8c h ASP 119 N 0.00 -0.44 -3.88 0.00 5.19 -1.88 -3.45 116.42 111.96 1t8c h ASP 119 Ca 0.00 0.02 -0.56 0.00 -0.62 0.00 0.00 57.03 55.86 1t8c h ASP 119 Cb 0.00 0.11 0.16 0.00 0.18 0.00 0.00 39.33 39.78 1t8c h ASP 119 CO 0.00 -0.02 0.37 -1.14 -3.12 0.00 0.00 179.24 175.33 1t8c n ARG 120 N -5.03 1.11 -4.97 3.56 3.00 -1.26 -5.01 116.66 108.06 1t8c n ARG 120 Ca -0.06 0.43 -0.32 0.00 -0.00 0.00 0.00 57.85 57.89 1t8c n ARG 120 Cb 0.21 -2.40 -0.17 0.00 0.00 0.00 0.00 32.46 30.10 1t8c n ARG 120 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1t8c s LYS 121 N -3.06 3.06 0.00 -0.14 1.02 -1.26 -5.06 119.74 114.30 1t8c s LYS 121 Ca 0.79 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.92 1t8c s LYS 121 Cb -0.40 -2.38 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 1t8c s LYS 121 CO 0.44 0.10 0.00 1.28 -0.92 0.00 0.00 175.35 176.25 1t8c n LEU 122 N 3.75 0.00 -0.46 3.17 4.32 -1.26 -4.85 117.00 121.66 1t8c n LEU 122 Ca -0.19 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.80 1t8c n LEU 122 Cb 0.52 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 1t8c n LEU 122 CO 0.28 0.00 0.23 0.61 -1.22 0.00 0.00 177.39 177.29 1t8c n GLY 123 N 5.00 0.98 3.08 -0.72 0.00 -1.18 -4.76 105.19 107.59 1t8c n GLY 123 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.57 -0.28 4.61 0.00 0.04 -1.59 121.76 123.97 1t8c s ALA 124 Ca 0.00 0.87 -0.08 0.00 0.00 0.00 0.00 51.96 52.75 1t8c s ALA 124 Cb 0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 1t8c s ALA 124 CO 0.00 -0.16 0.10 1.67 0.00 0.00 0.00 175.76 177.36 1t8c s TRP 125 N 0.81 3.13 -0.06 0.00 1.48 -0.43 -2.63 118.94 121.24 1t8c s TRP 125 Ca -0.06 -0.66 0.02 0.00 -1.06 0.00 0.00 56.10 54.34 1t8c s TRP 125 Cb -0.07 -2.28 -0.03 0.00 -1.16 0.00 0.00 33.47 29.94 1t8c s TRP 125 CO -0.05 -0.47 -0.11 0.08 -4.06 0.00 0.00 176.95 172.34 1t8c s VAL 126 N 1.57 3.34 0.14 -0.66 1.01 -1.25 -0.20 120.40 124.36 1t8c s VAL 126 Ca 0.05 -0.62 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 1t8c s VAL 126 Cb -0.16 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1t8c s VAL 126 CO 0.04 0.59 0.05 0.00 0.00 0.00 0.00 175.10 175.78 1t8c s ASP 128 N -3.08 2.11 0.29 0.00 -4.77 0.16 0.87 116.67 112.26 1t8c s ASP 128 Ca 0.24 -0.43 -0.18 0.00 -3.30 0.00 0.00 52.55 48.88 1t8c s ASP 128 Cb 0.07 -0.19 0.02 0.00 -1.09 0.00 0.00 42.92 41.73 1t8c s ASP 128 CO 0.02 0.15 0.66 -0.60 0.70 0.00 0.00 175.17 176.11 1t8c s ARG 129 N -0.88 1.79 0.05 2.11 3.00 -0.23 0.93 118.95 125.72 1t8c s ARG 129 Ca 0.06 -1.13 -0.29 0.00 -1.00 0.00 0.00 55.73 53.37 1t8c s ARG 129 Cb -0.08 0.57 -0.05 0.00 0.00 0.00 0.00 34.95 35.40 1t8c s ARG 129 CO 0.01 -0.80 0.92 -0.51 0.00 0.00 0.00 175.30 174.91 1t8c s LEU 130 N -2.97 4.43 -1.10 -0.88 2.01 -1.26 0.14 118.68 119.04 1t8c s LEU 130 Ca 0.15 1.65 -0.24 0.00 0.01 0.00 0.00 54.13 55.69 1t8c s LEU 130 Cb -0.04 -3.49 -0.13 0.00 0.01 0.00 0.00 46.19 42.54 1t8c s LEU 130 CO 0.08 -0.13 2.01 0.00 1.01 0.00 0.00 176.35 179.33 1t8c s ALA 131 N 0.42 1.33 -0.06 4.21 0.00 -1.23 -4.47 121.76 121.97 1t8c s ALA 131 Ca 0.47 -1.82 0.11 0.00 0.00 0.00 0.00 51.96 50.72 1t8c s ALA 131 Cb -0.22 -4.67 0.19 0.00 0.00 0.00 0.00 23.12 18.43 1t8c s ALA 131 CO 0.27 -5.73 1.09 0.25 0.00 0.00 0.00 175.76 171.65 1t8c n THR 132 N 8.23 0.79 -3.48 0.00 -2.24 -1.26 -3.07 114.28 113.25 1t8c n THR 132 Ca 0.43 -1.14 0.08 0.00 -2.27 0.00 0.00 64.05 61.15 1t8c n THR 132 Cb 0.46 0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 68.95 1t8c n THR 132 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1t8c s THR 134 N -0.90 -0.24 -0.27 0.00 2.01 -1.26 -5.05 115.64 109.94 1t8c s THR 134 Ca 0.00 -1.15 -0.29 0.00 0.31 0.00 0.00 61.69 60.56 1t8c s THR 134 Cb 0.00 -0.75 -0.02 0.00 0.01 0.00 0.00 72.50 71.74 1t8c s THR 134 CO 0.00 -0.67 1.61 -2.16 -0.69 0.00 0.00 174.62 172.71 1t8c s PRO 135 N 1.33 3.70 -0.39 4.92 0.04 -1.26 -4.92 135.00 138.42 1t8c s PRO 135 Ca 0.17 1.51 -0.30 0.00 0.04 0.00 0.00 61.00 62.42 1t8c s PRO 135 Cb -0.17 -4.05 -0.09 0.00 0.04 0.00 0.00 34.50 30.23 1t8c s PRO 135 CO -0.02 -1.41 2.29 -2.30 0.04 0.00 0.00 177.00 175.60 1t8c n PRO 136 N 7.82 1.27 -1.97 0.56 -0.02 -1.26 -4.86 135.00 136.55 1t8c n PRO 136 Ca 0.19 0.28 -0.34 0.00 -2.02 0.00 0.00 63.50 61.61 1t8c n PRO 136 Cb 0.46 -2.87 -0.04 0.00 -0.02 0.00 0.00 33.50 31.03 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 8.93 1.92 0.76 3.55 0.00 -1.26 -4.96 121.76 130.69 1t8c s ALA 137 Ca 1.06 -0.81 -0.10 0.00 0.00 0.00 0.00 51.96 52.11 1t8c s ALA 137 Cb -0.56 -4.39 0.06 0.00 0.00 0.00 0.00 23.12 18.24 1t8c s ALA 137 CO 0.39 -4.28 1.12 -1.54 0.00 0.00 0.00 175.76 171.45 1t8c s SER 138 N 8.62 4.78 -1.03 0.00 1.04 -1.26 -4.46 113.70 121.39 1t8c s SER 138 Ca 0.72 0.76 -0.11 0.00 0.48 0.00 0.00 55.95 57.80 1t8c s SER 138 Cb -0.12 -1.36 -0.03 0.00 0.10 0.00 0.00 66.02 64.61 1t8c s SER 138 CO 0.15 -1.71 0.83 1.21 0.98 0.00 0.00 173.24 174.70 1t8c n GLU 139 N -3.14 -1.68 -2.15 4.02 4.07 -1.26 -4.87 120.64 115.62 1t8c n GLU 139 Ca 0.08 0.79 -0.43 0.00 -0.06 0.00 0.00 57.16 57.54 1t8c n GLU 139 Cb 0.60 -4.99 -0.02 0.00 -0.06 0.00 0.00 31.44 26.96 1t8c n GLU 139 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1t8c s GLY 140 N -3.34 1.15 0.40 8.31 0.00 -1.26 -4.98 107.32 107.59 1t8c s GLY 140 Ca 0.38 0.32 -0.25 0.00 0.00 0.00 0.00 44.72 45.17 1t8c s GLY 140 CO 0.80 2.98 1.12 -1.35 0.00 0.00 0.00 173.10 176.65 1t8c s SER 141 N 4.36 6.59 -1.13 1.64 1.04 -1.26 -4.96 113.70 119.98 1t8c s SER 141 Ca 0.70 2.23 -0.16 0.00 0.48 0.00 0.00 55.95 59.21 1t8c s SER 141 Cb -0.22 -2.60 0.15 0.00 0.10 0.00 0.00 66.02 63.44 1t8c s SER 141 CO 0.30 -0.62 1.37 0.00 0.98 0.00 0.00 173.24 175.27 1t8c s ALA 142 N -1.50 3.74 0.00 5.32 0.00 -1.26 -5.28 121.76 122.79 1t8c s ALA 142 Ca 0.57 -3.14 0.00 0.00 0.00 0.00 0.00 51.96 49.40 1t8c s ALA 142 Cb -0.28 -4.15 0.00 0.00 0.00 0.00 0.00 23.12 18.69 1t8c s ALA 142 CO 0.35 -2.89 0.00 -1.91 0.00 0.00 0.00 175.76 171.30