#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 1.19 3.85 0.23 0.00 -1.26 -5.14 105.19 104.06 1t8c n GLY 2 Ca 0.00 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 0.73 3.45 0.80 1.61 0.40 -1.26 -5.05 117.98 118.67 1t8c s PHE 3 Ca 0.00 1.35 -0.11 0.00 -0.60 0.00 0.00 56.93 57.57 1t8c s PHE 3 Cb 0.00 -2.69 0.07 0.00 0.51 0.00 0.00 43.02 40.91 1t8c s PHE 3 CO 0.00 -0.28 1.09 0.14 0.70 0.00 0.00 175.22 176.86 1t8c s VAL 4 N -2.54 3.17 -1.44 -0.44 -7.23 -1.26 -3.48 120.40 107.18 1t8c s VAL 4 Ca 0.57 0.38 0.00 0.00 -1.81 0.00 0.00 61.98 61.12 1t8c s VAL 4 Cb -0.10 -2.91 0.00 0.00 0.56 0.00 0.00 36.38 33.93 1t8c s VAL 4 CO 0.31 -0.50 0.00 0.00 -0.31 0.00 0.00 175.10 174.60 1t8c n ASN 6 N -1.90 -1.46 -0.81 0.00 2.85 -1.23 -4.84 115.26 107.88 1t8c n ASN 6 Ca -0.20 -2.08 0.07 0.00 -0.11 0.00 0.00 54.58 52.26 1t8c n ASN 6 Cb 0.65 1.13 0.20 0.00 1.24 0.00 0.00 39.78 43.00 1t8c n ASN 6 CO 0.00 0.00 0.00 1.07 -2.11 0.00 0.00 177.26 176.22 1t8c n THR 7 N -0.25 0.57 -3.91 -0.44 5.66 -1.26 -4.59 114.28 110.07 1t8c n THR 7 Ca -0.14 -0.58 -0.29 0.00 -3.05 0.00 0.00 64.05 59.99 1t8c n THR 7 Cb 0.72 0.31 -0.13 0.00 -1.55 0.00 0.00 70.33 69.69 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 2.27 0.00 0.00 0.00 -0.04 -1.25 -4.76 135.00 131.22 1t8c n PRO 9 Ca 0.16 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 1t8c n PRO 9 Cb 0.34 -0.75 0.00 0.00 -0.04 0.00 0.00 33.50 33.05 1t8c n PRO 9 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1t8c n GLU 10 N -1.72 0.00 -0.25 0.54 0.00 -1.26 -4.82 120.64 113.13 1t8c n GLU 10 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 57.16 57.21 1t8c n GLU 10 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 31.44 31.62 1t8c n GLU 10 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1t8c h LYS 11 N 0.00 0.34 -6.66 3.44 1.57 -1.93 -3.40 116.57 109.93 1t8c h LYS 11 Ca 0.00 -0.02 -0.52 0.00 -1.87 0.00 0.00 60.65 58.23 1t8c h LYS 11 Cb 0.00 -0.08 0.03 0.00 0.08 0.00 0.00 32.23 32.27 1t8c h LYS 11 CO 0.00 0.22 0.66 -1.58 -0.57 0.00 0.00 179.45 178.19 1t8c s TRP 12 N -6.03 3.25 -0.07 -1.35 0.52 -1.25 -3.92 118.94 110.09 1t8c s TRP 12 Ca -0.13 1.17 0.01 0.00 0.02 0.00 0.00 56.10 57.18 1t8c s TRP 12 Cb 0.21 -3.62 0.02 0.00 -1.15 0.00 0.00 33.47 28.93 1t8c s TRP 12 CO 0.76 -1.97 -0.08 0.42 0.02 0.00 0.00 176.95 176.10 1t8c s ILE 13 N 0.28 0.88 0.12 2.03 -1.09 -0.53 -3.83 121.20 119.07 1t8c s ILE 13 Ca 0.58 -0.28 0.04 0.00 -2.23 0.00 0.00 60.65 58.77 1t8c s ILE 13 Cb -0.37 -0.87 -0.04 0.00 -1.58 0.00 0.00 42.46 39.60 1t8c s ILE 13 CO 0.37 0.32 0.08 0.21 -1.23 0.00 0.00 174.94 174.68 1t8c s ASN 14 N 1.15 5.36 0.00 3.58 3.84 -1.26 0.11 114.94 127.72 1t8c s ASN 14 Ca -0.06 -0.12 0.00 0.00 0.21 0.00 0.00 52.86 52.89 1t8c s ASN 14 Cb -0.14 -1.37 0.00 0.00 -0.55 0.00 0.00 41.25 39.19 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 0.13 0.00 -0.26 0.43 3.72 0.16 -4.95 117.46 116.70 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 0.40 0.00 -1.08 3.07 -2.04 -3.40 115.11 112.06 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 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 27.47 1t8c h GLN 16 CO 0.00 0.26 0.00 2.89 0.09 0.00 0.00 178.83 182.07 1t8c n ARG 17 N -5.03 0.00 -4.30 0.06 0.00 -1.26 -5.14 116.66 100.99 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 0.44 0.00 -0.08 0.00 -0.00 0.00 0.00 32.46 32.82 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 0.31 2.89 -2.85 -1.26 -3.30 119.74 117.75 1t8c s LYS 18 Ca 0.00 -1.38 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 0.00 175.35 175.80 1t8c s TYR 20 N -2.98 2.01 -0.42 0.00 1.51 0.30 -0.90 117.35 116.87 1t8c s TYR 20 Ca 0.31 -0.78 -0.17 0.00 -1.01 0.00 0.00 57.07 55.43 1t8c s TYR 20 Cb 0.05 -1.39 0.02 0.00 -0.11 0.00 0.00 41.96 40.54 1t8c s TYR 20 CO 0.14 -0.34 0.40 -0.47 -1.11 0.00 0.00 175.55 174.16 1t8c s TYR 21 N 0.46 3.19 -0.25 2.71 5.04 0.26 -1.45 117.35 127.32 1t8c s TYR 21 Ca -0.16 -0.47 -0.13 0.00 -2.44 0.00 0.00 57.07 53.86 1t8c s TYR 21 Cb -0.17 -2.83 -0.04 0.00 0.35 0.00 0.00 41.96 39.27 1t8c s TYR 21 CO 0.06 -0.68 0.28 -0.06 -1.34 0.00 0.00 175.55 173.81 1t8c s PHE 22 N 1.98 3.29 0.39 4.97 0.40 -1.25 -0.68 117.98 127.08 1t8c s PHE 22 Ca 0.09 0.35 0.05 0.00 -0.60 0.00 0.00 56.93 56.82 1t8c s PHE 22 Cb -0.18 -2.43 -0.02 0.00 0.51 0.00 0.00 43.02 40.89 1t8c s PHE 22 CO 0.12 -0.07 0.17 0.20 0.70 0.00 0.00 175.22 176.34 1t8c s GLY 23 N 1.34 2.54 0.07 4.36 0.00 0.54 -4.76 107.32 111.41 1t8c s GLY 23 Ca 0.12 -1.44 0.03 0.00 0.00 0.00 0.00 44.72 43.43 1t8c s GLY 23 CO 0.08 -1.73 -0.09 1.25 0.00 0.00 0.00 173.10 172.61 1t8c s LYS 24 N -3.64 0.73 0.00 2.90 2.20 -1.26 -1.28 119.74 119.39 1t8c s LYS 24 Ca 0.28 -1.01 0.00 0.00 -0.36 0.00 0.00 55.97 54.88 1t8c s LYS 24 Cb 0.02 -0.45 0.00 0.00 -1.51 0.00 0.00 37.83 35.89 1t8c s LYS 24 CO 0.18 0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.65 1t8c n GLY 25 N 0.91 0.54 7.00 5.54 0.00 -0.67 -4.74 105.19 113.76 1t8c n GLY 25 Ca -0.19 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 0.00 0.00 0.00 2.61 -1.04 -1.26 -4.23 114.28 110.36 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 1.17 -0.64 0.00 0.00 175.07 175.60 1t8c n LYS 27 N -0.52 0.00 -2.51 -2.82 4.81 -1.26 -5.04 118.16 110.82 1t8c n LYS 27 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.38 1t8c n LYS 27 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 1t8c n LYS 27 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1t8c n GLN 28 N -1.27 1.67 0.01 1.64 6.02 -1.26 -4.56 117.38 119.63 1t8c n GLN 28 Ca 0.00 -0.71 -0.12 0.00 -0.01 0.00 0.00 57.00 56.16 1t8c n GLN 28 Cb 0.00 0.21 -0.07 0.00 1.02 0.00 0.00 30.24 31.40 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 1.06 0.06 -0.55 1.08 7.01 -1.91 -2.14 115.95 120.55 1t8c h TRP 29 Ca -0.08 -0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.06 1t8c h TRP 29 Cb 0.24 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.26 1t8c h TRP 29 CO 0.00 0.11 0.39 -0.39 -2.79 0.00 0.00 178.44 175.75 1t8c h VAL 30 N -0.00 0.78 -0.06 2.65 -1.51 -1.98 0.20 116.25 116.33 1t8c h VAL 30 Ca 0.02 -0.04 -0.15 0.00 -1.23 0.00 0.00 66.70 65.29 1t8c h VAL 30 Cb 0.07 0.64 -0.01 0.00 -2.13 0.00 0.00 31.29 29.86 1t8c h VAL 30 CO -0.00 0.02 -0.64 0.45 -1.23 0.00 0.00 177.57 176.17 1t8c h HIS 31 N 0.12 0.30 -0.03 5.19 3.86 -1.80 -2.23 115.15 120.57 1t8c h HIS 31 Ca 0.26 -0.12 -0.02 0.00 -1.16 0.00 0.00 60.37 59.34 1t8c h HIS 31 Cb 0.88 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.30 1t8c h HIS 31 CO -0.00 0.80 -0.04 0.00 0.86 0.00 0.00 177.93 179.55 1t8c h ALA 32 N 1.16 0.04 -0.95 2.45 0.00 -0.11 -0.20 119.26 121.66 1t8c h ALA 32 Ca -0.01 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.63 1t8c h ALA 32 Cb 1.16 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 1t8c h ALA 32 CO 0.10 -0.15 0.63 0.07 0.00 0.00 0.00 179.25 179.89 1t8c h ARG 33 N -0.44 1.22 -0.04 0.00 -0.00 -1.33 -0.64 114.38 113.16 1t8c h ARG 33 Ca 0.00 -0.07 -0.15 0.00 -0.00 0.00 0.00 59.98 59.76 1t8c h ARG 33 Cb 0.59 -0.28 -0.01 0.00 -0.00 0.00 0.00 29.97 30.27 1t8c h ARG 33 CO 0.01 0.81 -0.64 -0.92 -0.00 0.00 0.00 179.97 179.23 1t8c h TYR 34 N 1.26 0.23 -0.33 4.08 5.03 -1.39 -1.49 116.97 124.36 1t8c h TYR 34 Ca 0.36 -0.09 -0.16 0.00 2.58 0.00 0.00 58.73 61.41 1t8c h TYR 34 Cb -0.10 -0.04 -0.00 0.00 1.55 0.00 0.00 36.73 38.13 1t8c h TYR 34 CO -0.00 0.77 -0.43 0.00 -1.32 0.00 0.00 178.16 177.18 1t8c h ALA 35 N 1.21 0.50 0.00 1.82 0.00 -0.18 -2.06 119.26 120.55 1t8c h ALA 35 Ca -0.01 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 1t8c h ALA 35 Cb 1.16 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1t8c h ALA 35 CO 0.10 0.63 -0.57 0.00 0.00 0.00 0.00 179.25 179.41 1t8c h ASP 37 N 0.00 0.00 -0.98 0.00 1.82 -1.16 -0.56 116.42 115.54 1t8c h ASP 37 Ca -0.01 0.00 0.05 0.00 -0.39 0.00 0.00 57.03 56.68 1t8c h ASP 37 Cb 1.28 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 41.23 1t8c h ASP 37 CO 0.07 0.26 0.64 -0.78 -1.61 0.00 0.00 179.24 177.82 1t8c h ASP 38 N 0.00 1.05 0.00 2.28 3.58 -1.27 -3.44 116.42 118.62 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 0.95 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.77 1t8c h ASP 38 CO 0.03 0.70 0.00 1.15 -2.88 0.00 0.00 179.24 178.25 1t8c n MET 39 N -4.46 0.00 0.00 0.28 0.00 -1.21 -5.07 117.12 106.65 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 -0.02 0.00 0.00 3.17 -0.58 -1.02 -5.00 120.64 117.18 1t8c n GLU 40 Ca 0.00 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1t8c n GLU 40 Cb 0.00 -0.57 0.00 0.00 -0.57 0.00 0.00 31.44 30.30 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 -0.11 0.01 3.41 0.62 0.00 -0.25 -4.82 105.19 104.05 1t8c n GLY 41 Ca 0.00 0.32 -0.10 0.00 0.00 0.00 0.00 46.02 46.24 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 0.66 1.21 -0.33 1.61 0.74 0.26 -4.54 119.66 119.27 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 1.41 -1.17 -0.55 0.00 0.00 175.29 174.49 1t8c s LEU 43 N -2.84 3.75 0.00 3.68 2.96 -1.26 0.37 118.68 125.34 1t8c s LEU 43 Ca 0.06 1.13 0.00 0.00 -0.22 0.00 0.00 54.13 55.10 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 -1.27 0.22 1.33 -1.32 0.00 0.00 176.35 175.23 1t8c n VAL 44 N 6.62 0.00 -3.16 1.68 0.24 -1.25 -3.50 118.33 118.96 1t8c n VAL 44 Ca 0.16 0.33 -0.14 0.00 -2.04 0.00 0.00 64.34 62.65 1t8c n VAL 44 Cb 0.47 -0.43 0.07 0.00 -1.47 0.00 0.00 33.84 32.47 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 -2.17 -2.55 -4.47 -1.34 2.88 -1.26 -4.56 113.62 100.15 1t8c n SER 45 Ca 0.00 -0.48 -0.55 0.00 -1.33 0.00 0.00 58.87 56.51 1t8c n SER 45 Cb 0.00 -4.12 -0.06 0.00 -0.75 0.00 0.00 64.21 59.28 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 -3.61 0.66 -0.36 2.46 -0.00 -1.26 -4.79 119.36 112.46 1t8c n ILE 46 Ca -0.19 -0.17 0.00 0.00 -0.00 0.00 0.00 62.75 62.39 1t8c n ILE 46 Cb 0.62 -0.03 0.00 0.00 -0.00 0.00 0.00 39.64 40.23 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 1.03 0.00 -4.25 4.28 1.44 -1.26 -4.89 115.22 111.57 1t8c n HIS 47 Ca 0.19 -0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.57 1t8c n HIS 47 Cb 0.14 -0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.09 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 -0.00 3.39 0.55 4.39 0.15 -1.26 -4.84 113.70 116.08 1t8c s SER 48 Ca 0.00 -0.57 0.41 0.00 0.70 0.00 0.00 55.95 56.48 1t8c s SER 48 Cb 0.00 -1.53 1.59 0.00 -1.71 0.00 0.00 66.02 64.37 1t8c s SER 48 CO 0.00 0.02 1.72 -0.65 1.20 0.00 0.00 173.24 175.53 1t8c h PRO 49 N 7.76 0.00 -0.07 5.44 0.11 -1.99 0.56 132.00 143.81 1t8c h PRO 49 Ca -0.41 0.00 -0.10 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 -0.33 1.49 -0.21 0.00 0.00 178.00 179.56 1t8c h GLU 50 N 0.00 0.35 -0.46 1.05 4.81 -1.97 -1.28 114.58 117.07 1t8c h GLU 50 Ca 0.67 -0.28 -0.06 0.00 -0.13 0.00 0.00 59.36 59.56 1t8c h GLU 50 Cb 2.73 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 32.15 1t8c h GLU 50 CO -0.01 0.92 0.07 0.93 -0.73 0.00 0.00 179.01 180.20 1t8c h GLU 51 N -0.13 0.77 -0.63 1.92 5.08 -0.38 0.49 114.58 121.69 1t8c h GLU 51 Ca -0.02 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.04 1t8c h GLU 51 Cb 0.98 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 1t8c h GLU 51 CO 0.07 0.78 0.05 -0.56 -1.00 0.00 0.00 179.01 178.35 1t8c h GLN 52 N 0.64 1.08 -0.21 2.33 -0.00 -1.10 -2.22 115.11 115.63 1t8c h GLN 52 Ca 0.14 -0.32 -0.11 0.00 -0.00 0.00 0.00 58.65 58.36 1t8c h GLN 52 Cb 0.39 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.48 27.74 1t8c h GLN 52 CO 0.01 1.03 -0.34 0.22 -0.00 0.00 0.00 178.83 179.75 1t8c h ASP 53 N 0.99 0.46 0.13 0.06 3.58 -0.99 0.12 116.42 120.77 1t8c h ASP 53 Ca 0.19 -0.18 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1t8c h ASP 53 Cb 0.51 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.43 1t8c h ASP 53 CO 0.02 0.77 -0.07 -0.26 -2.88 0.00 0.00 179.24 176.82 1t8c h PHE 54 N 0.39 -0.19 -0.05 0.28 0.04 0.50 0.29 116.94 118.20 1t8c h PHE 54 Ca 0.05 -0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.63 1t8c h PHE 54 Cb 0.78 0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.98 1t8c h PHE 54 CO 0.02 -0.12 -0.77 1.37 -0.60 0.00 0.00 178.31 178.22 1t8c h LEU 55 N -0.19 0.41 -0.79 1.54 8.10 -1.39 -0.82 115.31 122.17 1t8c h LEU 55 Ca -0.01 -0.28 -0.00 0.00 0.11 0.00 0.00 57.88 57.69 1t8c h LEU 55 Cb 0.16 -0.12 -0.04 0.00 -0.44 0.00 0.00 40.66 40.22 1t8c h LEU 55 CO 0.02 1.03 0.49 0.74 -4.11 0.00 0.00 178.44 176.61 1t8c h THR 56 N 0.22 1.22 -0.06 0.15 2.02 -0.72 0.67 112.91 116.41 1t8c h THR 56 Ca -0.04 -0.46 -0.19 0.00 0.77 0.00 0.00 66.41 66.49 1t8c h THR 56 Cb 1.35 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1t8c h THR 56 CO 0.13 0.22 -0.77 0.50 0.37 0.00 0.00 175.52 175.97 1t8c h LYS 57 N 1.08 0.39 -0.13 6.66 1.63 -0.36 -2.94 116.57 122.90 1t8c h LYS 57 Ca 0.28 -0.34 -0.07 0.00 -0.85 0.00 0.00 60.65 59.68 1t8c h LYS 57 Cb -0.06 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.64 1t8c h LYS 57 CO -0.06 0.99 -0.24 1.25 -3.45 0.00 0.00 179.45 177.94 1t8c h HIS 58 N 0.25 0.24 -2.23 1.91 2.76 -0.20 -3.38 115.15 114.51 1t8c h HIS 58 Ca -0.04 -0.04 -0.61 0.00 -2.20 0.00 0.00 60.37 57.48 1t8c h HIS 58 Cb 1.36 -0.06 -0.12 0.00 1.55 0.00 0.00 27.41 30.13 1t8c h HIS 58 CO 0.05 0.45 0.92 0.00 -1.30 0.00 0.00 177.93 178.05 1t8c s ALA 59 N -4.50 2.98 0.00 5.26 0.00 0.23 -4.93 121.76 120.80 1t8c s ALA 59 Ca -0.05 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 49.96 1t8c s ALA 59 Cb 0.15 -4.13 0.00 0.00 0.00 0.00 0.00 23.12 19.13 1t8c s ALA 59 CO 0.74 -3.12 0.59 0.45 0.00 0.00 0.00 175.76 174.43 1t8c n SER 60 N 8.20 0.00 -0.10 0.00 2.88 -1.26 -4.45 113.62 118.89 1t8c n SER 60 Ca 0.10 0.60 0.01 0.00 -1.33 0.00 0.00 58.87 58.24 1t8c n SER 60 Cb 0.48 -0.11 0.02 0.00 -0.75 0.00 0.00 64.21 63.85 1t8c n SER 60 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1t8c n HIS 61 N -0.84 0.07 -3.88 0.66 -0.00 -1.26 -4.92 115.22 105.06 1t8c n HIS 61 Ca 0.00 -0.47 -0.30 0.00 0.46 0.00 0.00 57.72 57.41 1t8c n HIS 61 Cb 0.00 -0.04 -0.15 0.00 -0.12 0.00 0.00 29.99 29.68 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 -0.94 1.51 1.12 3.57 -4.23 -1.26 -4.85 115.64 110.56 1t8c s THR 62 Ca 0.04 -1.72 -0.18 0.00 -1.18 0.00 0.00 61.69 58.64 1t8c s THR 62 Cb 0.02 -2.07 0.12 0.00 1.34 0.00 0.00 72.50 71.91 1t8c s THR 62 CO 0.03 -0.55 0.09 0.61 -0.54 0.00 0.00 174.62 174.25 1t8c n GLY 63 N 4.59 -2.46 3.63 3.99 0.00 -1.26 -4.07 105.19 109.62 1t8c n GLY 63 Ca -0.01 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.88 4.37 -0.15 1.61 0.15 -1.23 -0.37 113.70 116.20 1t8c s SER 64 Ca 0.57 -0.79 -0.05 0.00 0.70 0.00 0.00 55.95 56.38 1t8c s SER 64 Cb -0.13 -0.69 -0.04 0.00 -1.71 0.00 0.00 66.02 63.45 1t8c s SER 64 CO 0.66 -0.09 0.03 0.26 1.20 0.00 0.00 173.24 175.30 1t8c s TRP 65 N -2.40 3.20 0.36 3.44 0.51 -1.04 -3.20 118.94 119.80 1t8c s TRP 65 Ca 0.33 0.03 0.08 0.00 -2.12 0.00 0.00 56.10 54.42 1t8c s TRP 65 Cb -0.04 -1.99 -0.04 0.00 -0.81 0.00 0.00 33.47 30.59 1t8c s TRP 65 CO 0.20 0.20 0.16 0.96 -0.51 0.00 0.00 176.95 177.95 1t8c s ILE 66 N 0.05 2.79 -0.94 2.03 -4.36 -1.26 -3.82 121.20 115.70 1t8c s ILE 66 Ca 0.04 -1.70 -0.08 0.00 -0.26 0.00 0.00 60.65 58.65 1t8c s ILE 66 Cb -0.13 -2.97 -0.15 0.00 1.25 0.00 0.00 42.46 40.47 1t8c s ILE 66 CO 0.01 -0.13 3.09 0.61 0.24 0.00 0.00 174.94 178.76 1t8c n GLY 67 N -1.18 3.63 3.07 6.27 0.00 -1.23 -4.63 105.19 111.11 1t8c n GLY 67 Ca -0.02 -1.31 -0.28 0.00 0.00 0.00 0.00 46.02 44.41 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 0.10 1.75 -0.04 0.99 1.98 -1.26 -1.86 118.68 120.34 1t8c s LEU 68 Ca 0.65 -0.42 -0.02 0.00 -2.89 0.00 0.00 54.13 51.45 1t8c s LEU 68 Cb 0.22 -1.08 0.03 0.00 0.66 0.00 0.00 46.19 46.02 1t8c s LEU 68 CO -0.03 0.04 0.05 -0.60 -1.89 0.00 0.00 176.35 173.92 1t8c s ARG 69 N 0.84 -0.03 0.23 1.98 3.52 0.11 -3.47 118.95 122.12 1t8c s ARG 69 Ca -0.10 0.35 -0.13 0.00 -0.13 0.00 0.00 55.73 55.73 1t8c s ARG 69 Cb -0.15 -0.52 -0.08 0.00 -1.56 0.00 0.00 34.95 32.64 1t8c s ARG 69 CO 0.01 -0.31 0.60 1.21 -0.81 0.00 0.00 175.30 175.99 1t8c s ASN 70 N 2.07 6.73 0.00 -2.12 2.47 -0.70 -0.23 114.94 123.17 1t8c s ASN 70 Ca 0.04 1.07 0.00 0.00 0.42 0.00 0.00 52.86 54.39 1t8c s ASN 70 Cb -0.12 -2.28 0.00 0.00 -1.45 0.00 0.00 41.25 37.39 1t8c s ASN 70 CO -0.03 -0.05 0.40 0.18 -3.72 0.00 0.00 177.10 173.88 1t8c n LEU 71 N 0.11 0.00 0.00 3.21 4.77 -1.07 -4.46 117.00 119.55 1t8c n LEU 71 Ca -0.01 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1t8c n LEU 71 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1t8c n LEU 71 CO 0.44 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 176.97 1t8c n ASP 72 N -0.66 0.00 0.12 -1.43 9.92 -1.26 -4.83 116.55 118.41 1t8c n ASP 72 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1t8c n ASP 72 Cb 0.00 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.45 1t8c n ASP 72 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1t8c n LEU 73 N -1.39 -1.00 -1.20 0.64 0.00 -1.26 -4.44 117.00 108.35 1t8c n LEU 73 Ca 0.00 0.42 0.11 0.00 0.00 0.00 0.00 56.01 56.54 1t8c n LEU 73 Cb 0.00 1.09 0.26 0.00 0.00 0.00 0.00 43.42 44.77 1t8c n LEU 73 CO 0.00 -0.46 0.72 0.29 0.00 0.00 0.00 177.39 177.95 1t8c n LYS 74 N -3.14 2.59 0.00 1.96 5.02 -1.26 -4.92 118.16 118.42 1t8c n LYS 74 Ca 0.00 -2.42 0.00 0.00 -2.02 0.00 0.00 58.31 53.87 1t8c n LYS 74 Cb 0.00 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.49 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 1.48 -0.95 3.17 0.72 0.00 -1.26 -5.04 105.19 103.32 1t8c n GLY 75 Ca 0.21 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 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 2.30 -0.11 1.61 2.02 -1.26 -4.94 118.70 118.31 1t8c s GLU 76 Ca 0.00 -0.73 -0.29 0.00 0.02 0.00 0.00 54.97 53.97 1t8c s GLU 76 Cb 0.00 -1.88 -0.03 0.00 0.10 0.00 0.00 34.13 32.32 1t8c s GLU 76 CO 0.00 0.23 1.41 -0.06 0.02 0.00 0.00 175.26 176.86 1t8c s PHE 77 N 0.16 2.55 -0.03 1.61 0.08 -1.26 -2.60 117.98 118.48 1t8c s PHE 77 Ca -0.09 0.71 0.05 0.00 0.12 0.00 0.00 56.93 57.71 1t8c s PHE 77 Cb -0.14 -3.66 -0.03 0.00 -0.57 0.00 0.00 43.02 38.62 1t8c s PHE 77 CO 0.05 -2.51 -0.16 0.42 -0.10 0.00 0.00 175.22 172.92 1t8c s ILE 78 N 3.57 2.95 0.52 0.64 -1.09 0.69 -2.68 121.20 125.80 1t8c s ILE 78 Ca 0.62 -0.85 -0.19 0.00 -2.23 0.00 0.00 60.65 58.01 1t8c s ILE 78 Cb -0.27 -2.17 -0.07 0.00 -1.58 0.00 0.00 42.46 38.38 1t8c s ILE 78 CO 0.21 0.53 1.04 0.26 -1.23 0.00 0.00 174.94 175.75 1t8c s TRP 79 N -0.77 3.01 0.58 3.97 0.52 0.05 0.08 118.94 126.37 1t8c s TRP 79 Ca 0.12 1.55 0.27 0.00 0.02 0.00 0.00 56.10 58.06 1t8c s TRP 79 Cb -0.11 -3.04 1.70 0.00 -1.15 0.00 0.00 33.47 30.88 1t8c s TRP 79 CO 0.02 -0.91 2.21 -0.24 0.02 0.00 0.00 176.95 178.05 1t8c h VAL 80 N 1.15 0.61 0.00 4.03 3.04 -1.69 0.27 116.25 123.66 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 0.97 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 -3.97 0.00 -0.40 3.17 2.03 -1.26 -4.88 116.55 111.23 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 0.12 -0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 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 0.89 0.90 2.76 0.27 0.00 0.95 -5.09 105.19 105.89 1t8c n GLY 82 Ca 0.14 -0.47 -0.18 0.00 0.00 0.00 0.00 46.02 45.51 1t8c n GLY 82 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1t8c s SER 83 N -2.68 0.73 0.62 1.61 0.15 -1.22 -4.91 113.70 108.00 1t8c s SER 83 Ca 0.00 0.00 -0.19 0.00 0.70 0.00 0.00 55.95 56.47 1t8c s SER 83 Cb 0.00 -0.21 -0.02 0.00 -1.71 0.00 0.00 66.02 64.08 1t8c s SER 83 CO 0.00 -0.16 1.28 0.00 1.20 0.00 0.00 173.24 175.56 1t8c n HIS 84 N 4.60 1.92 -0.91 3.44 1.44 -1.26 -0.77 115.22 123.68 1t8c n HIS 84 Ca -0.18 0.42 -0.33 0.00 -2.01 0.00 0.00 57.72 55.63 1t8c n HIS 84 Cb 0.50 -2.28 0.13 0.00 0.12 0.00 0.00 29.99 28.47 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 -1.70 0.86 0.00 0.61 0.31 -1.09 -4.82 118.33 112.49 1t8c n VAL 85 Ca 0.15 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1t8c n VAL 85 Cb 0.47 -0.94 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 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 -2.78 0.29 -0.12 4.52 8.00 -1.26 -4.94 116.55 120.26 1t8c n ASP 86 Ca 0.11 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.39 1t8c n ASP 86 Cb 0.52 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.52 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 -2.76 0.00 -1.52 1.24 4.01 -1.26 -5.12 117.16 111.74 1t8c n TYR 87 Ca 0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.86 1t8c n TYR 87 Cb 0.34 -0.85 -0.07 0.00 -0.31 0.00 0.00 39.34 38.44 1t8c n TYR 87 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1t8c n SER 88 N -3.74 -8.25 0.00 7.72 3.41 -1.26 -4.98 113.62 106.52 1t8c n SER 88 Ca -0.44 1.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.81 1t8c n SER 88 Cb 0.86 -5.16 0.00 0.00 -0.26 0.00 0.00 64.21 59.66 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 -3.85 0.00 -4.30 4.04 3.02 -1.26 -5.07 115.26 107.84 1t8c n ASN 89 Ca -0.07 0.00 -0.56 0.00 -0.03 0.00 0.00 54.58 53.92 1t8c n ASN 89 Cb 0.64 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.68 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 1.04 -1.50 3.10 4.27 -1.25 -3.85 117.44 119.25 1t8c n TRP 90 Ca 0.00 0.68 -0.54 0.00 -3.89 0.00 0.00 57.50 53.75 1t8c n TRP 90 Cb 0.00 -2.31 -0.08 0.00 -1.36 0.00 0.00 31.31 27.56 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 8.16 0.60 0.10 -1.67 0.00 -0.24 -4.78 120.51 122.68 1t8c n ALA 91 Ca 0.57 0.11 0.06 0.00 0.00 0.00 0.00 53.44 54.18 1t8c n ALA 91 Cb -0.02 -2.39 0.29 0.00 0.00 0.00 0.00 19.45 17.33 1t8c n ALA 91 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1t8c n PRO 92 N 7.27 0.07 -0.17 0.00 -0.02 -1.26 -1.99 135.00 138.90 1t8c n PRO 92 Ca 0.38 0.56 0.01 0.00 -2.02 0.00 0.00 63.50 62.43 1t8c n PRO 92 Cb 0.17 -1.72 0.08 0.00 -0.02 0.00 0.00 33.50 32.00 1t8c n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t8c n GLY 93 N -1.33 1.67 2.49 -1.23 0.00 -1.26 -4.23 105.19 101.30 1t8c n GLY 93 Ca -0.01 -0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 1t8c n GLY 93 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1t8c n GLU 94 N 0.11 0.66 -2.27 1.61 0.00 -0.84 -5.11 120.64 114.80 1t8c n GLU 94 Ca 0.05 -2.52 -0.43 0.00 0.00 0.00 0.00 57.16 54.27 1t8c n GLU 94 Cb 0.42 -1.39 -0.02 0.00 0.00 0.00 0.00 31.44 30.45 1t8c n GLU 94 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 1t8c s PRO 95 N -0.11 3.57 0.33 5.31 0.04 -1.26 -4.85 135.00 138.03 1t8c s PRO 95 Ca 0.33 1.10 -0.25 0.00 0.04 0.00 0.00 61.00 62.22 1t8c s PRO 95 Cb 0.16 -4.05 -0.10 0.00 0.04 0.00 0.00 34.50 30.55 1t8c s PRO 95 CO -0.17 -1.57 0.93 0.95 0.04 0.00 0.00 177.00 177.18 1t8c s THR 96 N 5.63 4.26 0.25 1.26 -4.23 -1.26 -5.06 115.64 116.48 1t8c s THR 96 Ca 0.65 1.75 -0.15 0.00 -1.18 0.00 0.00 61.69 62.76 1t8c s THR 96 Cb -0.16 -3.96 0.00 0.00 1.34 0.00 0.00 72.50 69.72 1t8c s THR 96 CO 0.32 0.10 0.53 -0.55 -0.54 0.00 0.00 174.62 174.48 1t8c s SER 97 N -1.68 -0.14 0.76 3.99 0.15 -1.26 -5.07 113.70 110.45 1t8c s SER 97 Ca 0.51 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 56.32 1t8c s SER 97 Cb -0.17 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 1t8c s SER 97 CO 0.22 -1.18 0.00 0.54 1.20 0.00 0.00 173.24 174.02 1t8c n ARG 98 N -0.40 -0.72 -2.94 5.44 1.74 -1.26 -4.98 116.66 113.54 1t8c n ARG 98 Ca -0.03 0.48 -0.08 0.00 -0.77 0.00 0.00 57.85 57.45 1t8c n ARG 98 Cb 0.61 -0.88 0.01 0.00 -1.02 0.00 0.00 32.46 31.18 1t8c n ARG 98 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1t8c n SER 99 N -3.41 -7.44 -4.72 0.55 2.88 -1.26 -4.92 113.62 95.29 1t8c n SER 99 Ca 0.00 0.77 -0.41 0.00 -1.33 0.00 0.00 58.87 57.90 1t8c n SER 99 Cb 0.16 -4.27 -0.04 0.00 -0.75 0.00 0.00 64.21 59.32 1t8c n SER 99 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1t8c s GLN 100 N -1.96 4.63 0.00 -1.46 -0.21 -1.26 -4.90 119.66 114.50 1t8c s GLN 100 Ca 0.13 1.49 0.00 0.00 0.02 0.00 0.00 55.36 57.01 1t8c s GLN 100 Cb -0.03 -3.39 0.00 0.00 1.00 0.00 0.00 33.01 30.60 1t8c s GLN 100 CO 0.67 0.10 0.00 0.41 -2.12 0.00 0.00 175.29 174.35 1t8c n GLY 101 N 2.46 -0.72 0.00 3.09 0.00 -1.26 -5.16 105.19 103.61 1t8c n GLY 101 Ca 0.04 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.06 -3.24 1.61 4.71 -1.23 -4.83 120.64 117.60 1t8c n GLU 102 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.16 57.18 1t8c n GLU 102 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 31.44 30.41 1t8c n GLU 102 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1t8c s ASP 103 N -1.17 -1.04 0.02 1.62 -1.08 -1.22 -4.28 116.67 109.52 1t8c s ASP 103 Ca 0.00 0.81 -0.05 0.00 -0.52 0.00 0.00 52.55 52.79 1t8c s ASP 103 Cb 0.00 1.93 -0.01 0.00 -1.46 0.00 0.00 42.92 43.38 1t8c s ASP 103 CO 0.00 -0.19 0.09 0.00 0.52 0.00 0.00 175.17 175.58 1t8c s VAL 105 N -1.95 5.05 0.39 0.00 1.01 -1.23 -2.35 120.40 121.33 1t8c s VAL 105 Ca -0.11 0.04 0.08 0.00 0.00 0.00 0.00 61.98 61.99 1t8c s VAL 105 Cb -0.05 -3.18 -0.07 0.00 0.00 0.00 0.00 36.38 33.08 1t8c s VAL 105 CO -0.02 0.60 0.02 0.00 0.00 0.00 0.00 175.10 175.70 1t8c s MET 106 N -0.87 1.99 -0.08 2.72 0.23 -0.26 -4.21 119.30 118.82 1t8c s MET 106 Ca 0.14 -1.99 0.03 0.00 -1.03 0.00 0.00 55.69 52.83 1t8c s MET 106 Cb -0.12 -1.74 0.01 0.00 -1.53 0.00 0.00 34.83 31.45 1t8c s MET 106 CO 0.03 -0.00 -0.17 1.41 -2.03 0.00 0.00 175.02 174.26 1t8c s MET 107 N -3.72 2.31 0.00 3.16 1.75 -1.19 0.44 119.30 122.04 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 0.06 -1.82 0.00 0.00 2.84 0.00 0.00 34.83 35.91 1t8c s MET 107 CO 0.19 0.08 0.00 -2.13 -0.65 0.00 0.00 175.02 172.51 1t8c n ARG 108 N 3.73 -0.45 0.00 4.11 0.00 0.08 -3.53 116.66 120.60 1t8c n ARG 108 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.64 1t8c n ARG 108 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.98 1t8c n ARG 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1t8c n GLY 109 N 0.00 1.70 1.49 5.14 0.00 -1.26 -2.87 105.19 109.38 1t8c n GLY 109 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 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 11.08 5.22 -2.44 1.61 7.64 -1.26 -4.71 113.62 130.75 1t8c n SER 110 Ca 0.00 -2.42 -0.18 0.00 1.01 0.00 0.00 58.87 57.28 1t8c n SER 110 Cb 0.00 -1.07 -0.01 0.00 -1.01 0.00 0.00 64.21 62.12 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 1.34 -0.50 0.00 0.23 0.00 -1.20 -4.91 105.19 100.14 1t8c n GLY 111 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.97 1.15 -4.13 1.61 -4.01 -1.14 -4.73 116.66 102.44 1t8c n ARG 112 Ca -0.20 0.00 -0.22 0.00 -1.04 0.00 0.00 57.85 56.38 1t8c n ARG 112 Cb 0.66 0.00 -0.05 0.00 -3.04 0.00 0.00 32.46 30.03 1t8c n ARG 112 CO 0.00 0.00 0.00 -1.58 -3.04 0.00 0.00 177.63 173.01 1t8c s TRP 113 N 1.71 2.97 -0.05 2.89 0.52 -1.25 -0.74 118.94 124.99 1t8c s TRP 113 Ca 0.00 -0.17 -0.02 0.00 0.02 0.00 0.00 56.10 55.93 1t8c s TRP 113 Cb 0.00 -1.40 0.03 0.00 -1.15 0.00 0.00 33.47 30.95 1t8c s TRP 113 CO 0.00 0.50 0.07 1.21 0.02 0.00 0.00 176.95 178.75 1t8c s ASN 114 N -3.82 1.12 -0.14 2.95 3.84 0.17 -1.08 114.94 117.99 1t8c s ASN 114 Ca 0.34 0.09 -0.26 0.00 0.21 0.00 0.00 52.86 53.24 1t8c s ASN 114 Cb -0.07 -0.09 -0.02 0.00 -0.55 0.00 0.00 41.25 40.52 1t8c s ASN 114 CO 0.24 -0.25 0.83 -0.62 -2.79 0.00 0.00 177.10 174.51 1t8c s ASP 115 N 2.18 7.00 0.10 -4.21 2.15 -1.26 -1.10 116.67 121.54 1t8c s ASP 115 Ca 0.05 1.23 -0.06 0.00 0.43 0.00 0.00 52.55 54.20 1t8c s ASP 115 Cb -0.12 -2.46 -0.02 0.00 -0.30 0.00 0.00 42.92 40.02 1t8c s ASP 115 CO -0.03 -0.35 0.13 0.00 -0.17 0.00 0.00 175.17 174.75 1t8c s ALA 116 N 1.87 0.18 -0.14 3.66 0.00 -0.99 -4.65 121.76 121.68 1t8c s ALA 116 Ca 0.40 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1t8c s ALA 116 Cb -0.17 0.57 0.00 0.00 0.00 0.00 0.00 23.12 23.52 1t8c s ALA 116 CO 0.15 -0.50 0.67 1.97 0.00 0.00 0.00 175.76 178.05 1t8c n PHE 117 N -0.06 0.00 -1.37 0.00 1.16 -1.26 -0.87 117.46 115.07 1t8c n PHE 117 Ca -0.12 -0.31 -0.12 0.00 -1.87 0.00 0.00 57.45 55.03 1t8c n PHE 117 Cb 0.62 -0.19 -0.05 0.00 -1.61 0.00 0.00 39.48 38.25 1t8c n PHE 117 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1t8c n ASP 119 N 0.07 1.09 -4.91 0.00 9.92 -1.26 -4.92 116.55 116.54 1t8c n ASP 119 Ca -0.12 -0.88 -0.28 0.00 -0.53 0.00 0.00 54.79 52.99 1t8c n ASP 119 Cb 0.40 0.29 0.06 0.00 -0.64 0.00 0.00 41.12 41.23 1t8c n ASP 119 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1t8c s ARG 120 N -2.64 2.48 -0.09 -1.24 1.81 -1.26 -5.09 118.95 112.92 1t8c s ARG 120 Ca 0.19 0.05 -0.02 0.00 -1.72 0.00 0.00 55.73 54.23 1t8c s ARG 120 Cb 0.18 -2.12 0.03 0.00 -0.45 0.00 0.00 34.95 32.60 1t8c s ARG 120 CO 0.60 -1.13 0.02 0.21 -0.68 0.00 0.00 175.30 174.31 1t8c s LYS 121 N -5.28 0.52 0.00 3.54 2.20 -1.26 -4.90 119.74 114.56 1t8c s LYS 121 Ca 0.58 0.06 0.00 0.00 -0.36 0.00 0.00 55.97 56.26 1t8c s LYS 121 Cb -0.11 -1.10 0.00 0.00 -1.51 0.00 0.00 37.83 35.11 1t8c s LYS 121 CO 0.47 -0.36 0.00 1.28 -0.36 0.00 0.00 175.35 176.38 1t8c n LEU 122 N 5.16 0.00 0.00 5.43 4.32 -1.26 -4.95 117.00 125.70 1t8c n LEU 122 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.92 1t8c n LEU 122 Cb 0.50 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.30 1t8c n LEU 122 CO 0.10 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.88 1t8c n GLY 123 N 5.00 0.75 3.06 -0.72 0.00 -1.20 -4.78 105.19 107.30 1t8c n GLY 123 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.50 -0.27 4.61 0.00 0.51 -1.68 121.76 124.43 1t8c s ALA 124 Ca 0.00 0.74 -0.07 0.00 0.00 0.00 0.00 51.96 52.62 1t8c s ALA 124 Cb 0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 1t8c s ALA 124 CO 0.00 -0.14 0.08 1.67 0.00 0.00 0.00 175.76 177.37 1t8c s TRP 125 N 0.62 3.11 -0.09 0.00 1.48 -0.41 -2.50 118.94 121.14 1t8c s TRP 125 Ca -0.04 -0.59 0.01 0.00 -1.06 0.00 0.00 56.10 54.41 1t8c s TRP 125 Cb -0.06 -2.26 -0.02 0.00 -1.16 0.00 0.00 33.47 29.97 1t8c s TRP 125 CO -0.03 -0.43 -0.10 0.08 -4.06 0.00 0.00 176.95 172.40 1t8c s VAL 126 N 1.58 3.38 0.17 -0.66 1.01 -1.25 -0.34 120.40 124.29 1t8c s VAL 126 Ca 0.05 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1t8c s VAL 126 Cb -0.16 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1t8c s VAL 126 CO 0.03 0.56 0.03 0.00 0.00 0.00 0.00 175.10 175.72 1t8c s ASP 128 N -3.15 2.20 0.12 0.00 -4.77 0.16 0.91 116.67 112.14 1t8c s ASP 128 Ca 0.25 -0.45 -0.21 0.00 -3.30 0.00 0.00 52.55 48.85 1t8c s ASP 128 Cb 0.07 -0.19 0.06 0.00 -1.09 0.00 0.00 42.92 41.76 1t8c s ASP 128 CO 0.04 0.15 0.53 0.00 0.70 0.00 0.00 175.17 176.59 1t8c s ARG 129 N -0.94 1.16 0.16 2.11 1.04 -0.08 0.92 118.95 123.32 1t8c s ARG 129 Ca 0.06 -0.48 -0.30 0.00 -1.04 0.00 0.00 55.73 53.97 1t8c s ARG 129 Cb -0.08 0.53 -0.08 0.00 -2.04 0.00 0.00 34.95 33.28 1t8c s ARG 129 CO 0.01 -0.47 1.28 -0.51 -0.04 0.00 0.00 175.30 175.56 1t8c s LEU 130 N -2.57 4.41 0.00 -1.89 2.01 -1.26 0.12 118.68 119.49 1t8c s LEU 130 Ca 0.00 2.28 -0.19 0.00 0.01 0.00 0.00 54.13 56.23 1t8c s LEU 130 Cb -0.00 -3.60 0.30 0.00 0.01 0.00 0.00 46.19 42.90 1t8c s LEU 130 CO -0.10 -0.50 0.69 0.00 1.01 0.00 0.00 176.35 177.44 1t8c n ALA 131 N 3.08 -4.18 -0.48 4.21 0.00 -1.21 -4.77 120.51 117.17 1t8c n ALA 131 Ca 0.07 -1.22 -0.04 0.00 0.00 0.00 0.00 53.44 52.25 1t8c n ALA 131 Cb 0.44 -0.11 0.23 0.00 0.00 0.00 0.00 19.45 20.01 1t8c n ALA 131 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1t8c n THR 132 N -5.25 2.26 -1.03 0.00 -2.24 -1.26 -4.30 114.28 102.46 1t8c n THR 132 Ca 0.11 -1.17 -0.22 0.00 -2.27 0.00 0.00 64.05 60.50 1t8c n THR 132 Cb 0.48 -0.46 0.16 0.00 -2.10 0.00 0.00 70.33 68.41 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 -3.01 4.27 -0.18 0.00 -4.23 -1.26 -4.95 115.64 106.28 1t8c s THR 134 Ca 0.52 1.54 -0.33 0.00 -1.18 0.00 0.00 61.69 62.24 1t8c s THR 134 Cb 0.44 -4.00 -0.10 0.00 1.34 0.00 0.00 72.50 70.18 1t8c s THR 134 CO 0.10 -0.13 2.04 -2.65 -0.54 0.00 0.00 174.62 173.43 1t8c n PRO 135 N 6.57 1.90 -1.52 3.99 -0.02 -1.26 -4.85 135.00 139.81 1t8c n PRO 135 Ca 0.14 0.63 -0.46 0.00 -2.02 0.00 0.00 63.50 61.78 1t8c n PRO 135 Cb 0.45 -2.75 -0.05 0.00 -0.02 0.00 0.00 33.50 31.13 1t8c n PRO 135 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1t8c n PRO 136 N 7.54 1.43 -2.21 0.52 -0.02 -1.26 -4.89 135.00 136.10 1t8c n PRO 136 Ca 0.29 0.37 -0.43 0.00 -2.02 0.00 0.00 63.50 61.71 1t8c n PRO 136 Cb 0.32 -2.83 -0.02 0.00 -0.02 0.00 0.00 33.50 30.94 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 8.08 3.48 0.00 3.55 0.00 -1.26 -4.61 121.76 131.00 1t8c s ALA 137 Ca 1.06 0.54 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1t8c s ALA 137 Cb -0.60 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 18.76 1t8c s ALA 137 CO 0.42 -1.58 0.00 0.45 0.00 0.00 0.00 175.76 175.05 1t8c n SER 138 N 7.51 0.00 0.00 0.00 2.88 -1.26 -4.98 113.62 117.77 1t8c n SER 138 Ca 0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1t8c n SER 138 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 1t8c n SER 138 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1t8c n GLU 139 N -1.25 1.20 -2.18 -1.46 1.02 -1.26 -5.06 120.64 111.65 1t8c n GLU 139 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1t8c n GLU 139 Cb 0.00 -0.58 -0.03 0.00 -0.02 0.00 0.00 31.44 30.81 1t8c n GLU 139 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1t8c s GLY 140 N -1.21 1.73 -0.00 0.62 0.00 -1.26 -4.96 107.32 102.23 1t8c s GLY 140 Ca 0.00 0.85 -0.30 0.00 0.00 0.00 0.00 44.72 45.27 1t8c s GLY 140 CO 0.00 2.66 1.36 -1.35 0.00 0.00 0.00 173.10 175.77 1t8c s SER 141 N 2.28 6.89 0.00 1.64 1.04 -1.26 -4.75 113.70 119.54 1t8c s SER 141 Ca 0.65 2.07 0.00 0.00 0.48 0.00 0.00 55.95 59.16 1t8c s SER 141 Cb -0.31 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.25 1t8c s SER 141 CO 0.26 -0.69 0.00 0.00 0.98 0.00 0.00 173.24 173.79 1t8c n ALA 142 N 5.23 0.84 1.92 5.32 0.00 -1.26 -5.19 120.51 127.36 1t8c n ALA 142 Ca 0.13 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.72 1t8c n ALA 142 Cb 0.44 0.00 0.88 0.00 0.00 0.00 0.00 19.45 20.77 1t8c n ALA 142 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89