#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 -0.09 2.78 5.00 0.00 -1.26 -5.07 105.19 106.55 1t8c n GLY 2 Ca 0.00 -1.22 -0.16 0.00 0.00 0.00 0.00 46.02 44.64 1t8c n GLY 2 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1t8c s PHE 3 N -3.37 -0.36 0.00 1.61 5.36 -1.26 -5.13 117.98 114.83 1t8c s PHE 3 Ca 0.00 -0.83 0.00 0.00 -0.96 0.00 0.00 56.93 55.14 1t8c s PHE 3 Cb 0.00 -0.36 0.00 0.00 -0.34 0.00 0.00 43.02 42.32 1t8c s PHE 3 CO 0.00 -0.99 0.00 1.33 -1.46 0.00 0.00 175.22 174.10 1t8c n VAL 4 N 4.13 0.00 0.00 3.12 0.24 -1.26 -5.10 118.33 119.46 1t8c n VAL 4 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 1t8c n VAL 4 Cb 0.46 -1.73 0.00 0.00 -1.47 0.00 0.00 33.84 31.11 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 0.00 1.16 -0.73 0.00 6.94 -1.26 -4.89 115.26 116.47 1t8c n ASN 6 Ca 0.00 -3.05 0.05 0.00 -0.02 0.00 0.00 54.58 51.56 1t8c n ASN 6 Cb 0.00 -0.62 0.16 0.00 -2.36 0.00 0.00 39.78 36.96 1t8c n ASN 6 CO 0.00 0.00 0.00 1.07 -1.03 0.00 0.00 177.26 177.30 1t8c n THR 7 N 0.34 0.61 -3.85 5.53 5.66 -1.26 -4.55 114.28 116.75 1t8c n THR 7 Ca 0.25 -0.50 -0.30 0.00 -3.05 0.00 0.00 64.05 60.46 1t8c n THR 7 Cb 0.62 0.12 -0.11 0.00 -1.55 0.00 0.00 70.33 69.40 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 5.68 0.00 0.00 0.00 0.13 -1.80 -3.46 132.00 132.55 1t8c h PRO 9 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1t8c h PRO 9 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 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 -3.84 0.00 -0.33 0.86 2.13 -1.26 -4.88 120.64 113.33 1t8c n GLU 10 Ca -0.00 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.93 1t8c n GLU 10 Cb 0.01 0.00 0.28 0.00 0.27 0.00 0.00 31.44 32.00 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 0.65 -6.80 5.31 1.57 -1.94 -3.40 116.57 111.95 1t8c h LYS 11 Ca 0.00 -0.04 -0.51 0.00 -1.87 0.00 0.00 60.65 58.23 1t8c h LYS 11 Cb 0.00 -0.15 0.02 0.00 0.08 0.00 0.00 32.23 32.18 1t8c h LYS 11 CO 0.00 0.43 0.49 -1.58 -0.57 0.00 0.00 179.45 178.22 1t8c s TRP 12 N -5.90 3.54 -0.07 -1.35 0.52 -1.25 -3.90 118.94 110.52 1t8c s TRP 12 Ca -0.12 1.67 0.01 0.00 0.02 0.00 0.00 56.10 57.68 1t8c s TRP 12 Cb 0.24 -3.32 0.02 0.00 -1.15 0.00 0.00 33.47 29.26 1t8c s TRP 12 CO 0.79 -0.67 -0.07 0.42 0.02 0.00 0.00 176.95 177.45 1t8c s ILE 13 N -1.11 0.79 0.12 2.03 -1.09 -0.90 -4.22 121.20 116.82 1t8c s ILE 13 Ca 0.45 -0.22 0.04 0.00 -2.23 0.00 0.00 60.65 58.69 1t8c s ILE 13 Cb -0.33 -0.80 -0.04 0.00 -1.58 0.00 0.00 42.46 39.71 1t8c s ILE 13 CO 0.42 0.30 0.08 0.21 -1.23 0.00 0.00 174.94 174.71 1t8c s ASN 14 N 1.19 5.37 0.00 3.58 3.84 -1.26 0.80 114.94 128.46 1t8c s ASN 14 Ca -0.06 -0.11 0.00 0.00 0.21 0.00 0.00 52.86 52.90 1t8c s ASN 14 Cb -0.14 -1.38 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 0.00 177.10 174.92 1t8c n PHE 15 N 0.17 0.00 -0.25 0.43 3.01 0.16 -4.95 117.46 116.04 1t8c n PHE 15 Ca -0.09 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.42 1t8c n PHE 15 Cb 0.53 0.00 0.18 0.00 -0.01 0.00 0.00 39.48 40.18 1t8c n PHE 15 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 1t8c h GLN 16 N 0.00 0.35 0.00 -1.08 3.07 -2.03 -3.40 115.11 112.02 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 0.23 0.00 2.89 0.09 0.00 0.00 178.83 182.04 1t8c n ARG 17 N -5.07 0.00 -4.29 0.06 1.85 -1.26 -4.54 116.66 103.41 1t8c n ARG 17 Ca 0.14 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.74 1t8c n ARG 17 Cb 0.42 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.75 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 -3.22 119.74 117.84 1t8c s LYS 18 Ca 0.00 -1.37 0.06 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 -2.96 1.93 -0.42 0.00 1.51 0.24 -0.57 117.35 117.08 1t8c s TYR 20 Ca 0.32 -0.41 -0.16 0.00 -1.01 0.00 0.00 57.07 55.82 1t8c s TYR 20 Cb 0.06 -1.25 0.02 0.00 -0.11 0.00 0.00 41.96 40.68 1t8c s TYR 20 CO 0.14 -0.06 0.39 -0.47 -1.11 0.00 0.00 175.55 174.44 1t8c s TYR 21 N -0.41 3.20 -0.31 2.71 6.14 0.30 -2.11 117.35 126.86 1t8c s TYR 21 Ca 0.06 -0.48 -0.09 0.00 0.64 0.00 0.00 57.07 57.20 1t8c s TYR 21 Cb -0.09 -2.80 0.00 0.00 0.42 0.00 0.00 41.96 39.49 1t8c s TYR 21 CO -0.00 -0.67 0.13 -0.06 0.64 0.00 0.00 175.55 175.59 1t8c s PHE 22 N 1.96 3.17 0.44 4.97 0.40 -1.25 -0.09 117.98 127.58 1t8c s PHE 22 Ca 0.09 -0.75 0.03 0.00 -0.60 0.00 0.00 56.93 55.71 1t8c s PHE 22 Cb -0.18 -2.33 -0.02 0.00 0.51 0.00 0.00 43.02 41.00 1t8c s PHE 22 CO 0.12 -0.51 0.12 0.20 0.70 0.00 0.00 175.22 175.84 1t8c s GLY 23 N 1.57 2.75 0.12 4.36 0.00 0.50 -4.74 107.32 111.87 1t8c s GLY 23 Ca 0.04 -1.01 0.05 0.00 0.00 0.00 0.00 44.72 43.79 1t8c s GLY 23 CO 0.05 -1.89 -0.12 -1.59 0.00 0.00 0.00 173.10 169.55 1t8c s LYS 24 N -3.71 0.97 0.00 2.90 -2.85 -1.26 -1.26 119.74 114.53 1t8c s LYS 24 Ca 0.19 -1.25 0.00 0.00 -1.00 0.00 0.00 55.97 53.92 1t8c s LYS 24 Cb 0.02 -0.74 0.00 0.00 -2.06 0.00 0.00 37.83 35.05 1t8c s LYS 24 CO 0.13 0.13 0.00 0.41 0.10 0.00 0.00 175.35 176.11 1t8c n GLY 25 N 0.42 0.70 7.00 0.59 0.00 -0.44 -4.72 105.19 108.74 1t8c n GLY 25 Ca -0.15 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -4.07 114.28 110.52 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 -1.01 0.00 -2.20 -2.82 4.81 -1.26 -5.02 118.16 110.66 1t8c n LYS 27 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.42 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 -1.30 1.64 0.00 1.64 6.02 -1.26 -4.57 117.38 119.56 1t8c n GLN 28 Ca 0.00 -0.27 -0.12 0.00 -0.01 0.00 0.00 57.00 56.60 1t8c n GLN 28 Cb 0.00 0.09 -0.07 0.00 1.02 0.00 0.00 30.24 31.29 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 1.03 0.08 -0.55 1.08 7.01 -1.94 -2.30 115.95 120.36 1t8c h TRP 29 Ca -0.03 -0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.10 1t8c h TRP 29 Cb 0.09 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.10 1t8c h TRP 29 CO 0.00 0.17 0.39 -0.39 -2.79 0.00 0.00 178.44 175.81 1t8c h VAL 30 N -0.02 0.78 -0.06 2.65 -1.51 -1.97 0.19 116.25 116.31 1t8c h VAL 30 Ca 0.02 -0.04 -0.15 0.00 -1.23 0.00 0.00 66.70 65.30 1t8c h VAL 30 Cb 0.11 0.64 -0.01 0.00 -2.13 0.00 0.00 31.29 29.90 1t8c h VAL 30 CO -0.00 0.02 -0.63 -0.74 -1.23 0.00 0.00 177.57 174.99 1t8c h HIS 31 N 0.13 0.31 -0.03 5.19 2.76 -1.82 -2.22 115.15 119.47 1t8c h HIS 31 Ca 0.26 -0.12 -0.02 0.00 -2.20 0.00 0.00 60.37 58.30 1t8c h HIS 31 Cb 0.87 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.78 1t8c h HIS 31 CO -0.00 0.80 -0.05 0.00 -1.30 0.00 0.00 177.93 177.39 1t8c h ALA 32 N 1.17 0.04 -0.89 5.26 0.00 -0.19 -0.67 119.26 123.98 1t8c h ALA 32 Ca -0.01 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1t8c h ALA 32 Cb 1.15 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1t8c h ALA 32 CO 0.10 -0.15 0.59 0.07 0.00 0.00 0.00 179.25 179.86 1t8c h ARG 33 N -0.43 1.16 -0.04 0.00 -0.00 -1.33 -1.40 114.38 112.34 1t8c h ARG 33 Ca 0.00 -0.07 -0.14 0.00 -0.00 0.00 0.00 59.98 59.77 1t8c h ARG 33 Cb 0.59 -0.26 -0.01 0.00 -0.00 0.00 0.00 29.97 30.29 1t8c h ARG 33 CO 0.01 0.77 -0.64 -0.92 -0.00 0.00 0.00 179.97 179.19 1t8c h TYR 34 N 1.20 0.19 -0.38 4.08 3.20 -1.39 -1.09 116.97 122.78 1t8c h TYR 34 Ca 0.33 -0.08 -0.13 0.00 3.14 0.00 0.00 58.73 61.99 1t8c h TYR 34 Cb -0.12 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 1t8c h TYR 34 CO -0.00 0.74 -0.29 0.00 -1.64 0.00 0.00 178.16 176.97 1t8c h ALA 35 N 1.24 0.55 0.00 1.82 0.00 -0.27 -2.17 119.26 120.43 1t8c h ALA 35 Ca -0.01 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 1t8c h ALA 35 Cb 1.14 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1t8c h ALA 35 CO 0.09 0.58 -0.44 0.00 0.00 0.00 0.00 179.25 179.48 1t8c h ASP 37 N 0.00 0.00 -1.01 0.00 3.58 -1.07 -0.96 116.42 116.95 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 1.31 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.30 1t8c h ASP 37 CO 0.05 0.28 0.66 0.44 -2.88 0.00 0.00 179.24 177.79 1t8c h ASP 38 N 0.00 1.08 0.00 2.28 3.32 -1.38 -3.44 116.42 118.28 1t8c h ASP 38 Ca -0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1t8c h ASP 38 Cb 0.98 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.29 1t8c h ASP 38 CO 0.04 0.73 0.00 0.23 -1.72 0.00 0.00 179.24 178.51 1t8c n MET 39 N -4.46 0.00 0.00 3.56 2.81 -1.22 -5.07 117.12 112.74 1t8c n MET 39 Ca 0.14 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 1t8c n MET 39 Cb 0.12 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.63 1t8c n MET 39 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1t8c n GLU 40 N 0.00 0.00 0.00 0.03 -0.58 -1.09 -4.99 120.64 114.01 1t8c n GLU 40 Ca 0.00 0.16 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 1t8c n GLU 40 Cb 0.00 -0.73 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 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 -0.39 0.32 3.42 0.62 0.00 -0.39 -4.82 105.19 103.95 1t8c n GLY 41 Ca 0.00 0.28 -0.10 0.00 0.00 0.00 0.00 46.02 46.20 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 0.93 1.23 -0.33 1.61 0.74 0.28 -4.56 119.66 119.56 1t8c s GLN 42 Ca 0.00 -0.78 -0.29 0.00 0.05 0.00 0.00 55.36 54.34 1t8c s GLN 42 Cb 0.00 0.50 -0.00 0.00 1.10 0.00 0.00 33.01 34.61 1t8c s GLN 42 CO 0.00 -0.50 1.43 -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 0.42 118.68 125.39 1t8c s LEU 43 Ca 0.06 1.14 -0.00 0.00 -0.22 0.00 0.00 54.13 55.11 1t8c s LEU 43 Cb 0.00 -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 0.17 1.33 -1.32 0.00 0.00 176.35 175.17 1t8c n VAL 44 N 6.64 -0.00 -3.14 1.68 0.24 -1.26 -3.50 118.33 118.99 1t8c n VAL 44 Ca 0.17 0.25 -0.14 0.00 -2.04 0.00 0.00 64.34 62.57 1t8c n VAL 44 Cb 0.47 -0.33 0.07 0.00 -1.47 0.00 0.00 33.84 32.57 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 -2.20 -2.80 -4.37 -1.34 2.88 -1.26 -4.58 113.62 99.94 1t8c n SER 45 Ca 0.00 -0.45 -0.45 0.00 -1.33 0.00 0.00 58.87 56.64 1t8c n SER 45 Cb 0.00 -3.98 -0.02 0.00 -0.75 0.00 0.00 64.21 59.47 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 1.44 -0.75 2.46 -5.35 -1.26 -4.80 119.36 107.50 1t8c n ILE 46 Ca -0.17 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.81 1t8c n ILE 46 Cb 0.61 -0.08 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 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 -0.47 0.00 -4.40 4.28 1.44 -1.26 -4.88 115.22 109.93 1t8c n HIS 47 Ca 0.14 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.52 1t8c n HIS 47 Cb 0.32 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.28 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 -0.01 3.36 0.55 4.39 0.01 -1.26 -4.78 113.70 115.95 1t8c s SER 48 Ca 0.00 -0.56 0.40 0.00 1.31 0.00 0.00 55.95 57.10 1t8c s SER 48 Cb 0.00 -1.51 1.60 0.00 0.21 0.00 0.00 66.02 66.32 1t8c s SER 48 CO 0.00 0.05 1.74 -0.65 0.41 0.00 0.00 173.24 174.79 1t8c h PRO 49 N 7.58 0.00 -0.07 12.44 0.11 -1.98 0.50 132.00 150.58 1t8c h PRO 49 Ca -0.37 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.64 1t8c h PRO 49 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1t8c h PRO 49 CO 0.59 0.00 -0.32 1.49 -0.21 0.00 0.00 178.00 179.55 1t8c h GLU 50 N 0.00 0.33 -0.50 1.05 4.81 -1.97 -1.55 114.58 116.76 1t8c h GLU 50 Ca 0.66 -0.27 -0.05 0.00 -0.13 0.00 0.00 59.36 59.56 1t8c h GLU 50 Cb 2.66 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 32.07 1t8c h GLU 50 CO -0.01 0.92 0.10 0.93 -0.73 0.00 0.00 179.01 180.22 1t8c h GLU 51 N -0.16 0.81 -0.62 1.92 5.08 -0.52 0.42 114.58 121.50 1t8c h GLU 51 Ca -0.02 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.06 1t8c h GLU 51 Cb 0.98 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 1t8c h GLU 51 CO 0.07 0.79 0.11 -0.56 -1.00 0.00 0.00 179.01 178.43 1t8c h GLN 52 N 0.69 1.03 -0.22 2.33 -0.00 -1.06 -2.11 115.11 115.77 1t8c h GLN 52 Ca 0.15 -0.27 -0.11 0.00 -0.00 0.00 0.00 58.65 58.43 1t8c h GLN 52 Cb 0.36 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.48 27.71 1t8c h GLN 52 CO 0.01 0.95 -0.33 0.22 -0.00 0.00 0.00 178.83 179.68 1t8c h ASP 53 N 0.94 0.47 0.19 0.06 3.58 -1.04 0.73 116.42 121.34 1t8c h ASP 53 Ca 0.19 -0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 1t8c h ASP 53 Cb 0.41 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.33 1t8c h ASP 53 CO 0.01 0.77 -0.09 -0.26 -2.88 0.00 0.00 179.24 176.79 1t8c h PHE 54 N 0.39 -0.23 -0.03 0.28 0.04 0.38 0.29 116.94 118.06 1t8c h PHE 54 Ca 0.05 -0.01 -0.21 0.00 2.80 0.00 0.00 57.97 60.60 1t8c h PHE 54 Cb 0.77 0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.99 1t8c h PHE 54 CO 0.02 -0.14 -0.86 1.37 -0.60 0.00 0.00 178.31 178.11 1t8c h LEU 55 N -0.25 0.49 -0.97 1.54 8.10 -1.38 -1.12 115.31 121.72 1t8c h LEU 55 Ca -0.03 -0.37 0.01 0.00 0.11 0.00 0.00 57.88 57.61 1t8c h LEU 55 Cb 0.20 -0.15 -0.05 0.00 -0.44 0.00 0.00 40.66 40.22 1t8c h LEU 55 CO 0.04 1.14 0.63 0.74 -4.11 0.00 0.00 178.44 176.89 1t8c h THR 56 N 0.24 1.25 -0.05 0.15 2.02 -0.68 0.50 112.91 116.35 1t8c h THR 56 Ca -0.06 -0.48 -0.19 0.00 0.77 0.00 0.00 66.41 66.45 1t8c h THR 56 Cb 1.47 -0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1t8c h THR 56 CO 0.15 0.25 -0.80 0.50 0.37 0.00 0.00 175.52 175.99 1t8c h LYS 57 N 1.32 0.36 -0.16 6.66 1.63 -0.37 -2.98 116.57 123.02 1t8c h LYS 57 Ca 0.35 -0.33 -0.06 0.00 -0.85 0.00 0.00 60.65 59.77 1t8c h LYS 57 Cb -0.13 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 1t8c h LYS 57 CO -0.07 0.99 -0.17 1.25 -3.45 0.00 0.00 179.45 178.00 1t8c h HIS 58 N 0.23 0.29 -2.79 1.91 2.76 0.07 -3.40 115.15 114.21 1t8c h HIS 58 Ca -0.04 -0.04 -0.57 0.00 -2.20 0.00 0.00 60.37 57.52 1t8c h HIS 58 Cb 1.39 -0.08 -0.04 0.00 1.55 0.00 0.00 27.41 30.23 1t8c h HIS 58 CO 0.04 0.43 1.21 0.00 -1.30 0.00 0.00 177.93 178.32 1t8c s ALA 59 N -4.65 2.86 -2.02 5.26 0.00 0.16 -4.82 121.76 118.55 1t8c s ALA 59 Ca -0.06 0.02 0.17 0.00 0.00 0.00 0.00 51.96 52.10 1t8c s ALA 59 Cb 0.15 -4.02 0.22 0.00 0.00 0.00 0.00 23.12 19.47 1t8c s ALA 59 CO 0.74 -2.69 1.14 0.43 0.00 0.00 0.00 175.76 175.39 1t8c n SER 60 N 10.04 2.71 0.00 0.00 7.64 -1.26 -4.71 113.62 128.04 1t8c n SER 60 Ca 0.20 -1.80 0.00 0.00 1.01 0.00 0.00 58.87 58.29 1t8c n SER 60 Cb 0.48 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 1t8c n SER 60 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1t8c n HIS 61 N 1.02 0.00 0.00 1.43 8.25 -1.26 -5.02 115.22 119.63 1t8c n HIS 61 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 1t8c n HIS 61 Cb 0.46 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.55 1t8c n HIS 61 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1t8c n THR 62 N -1.98 0.00 -2.20 1.59 -1.04 -1.26 -4.93 114.28 104.45 1t8c n THR 62 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1t8c n THR 62 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1t8c n THR 62 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1t8c n GLY 63 N 0.96 -1.52 3.46 3.41 0.00 -1.25 -4.29 105.19 105.97 1t8c n GLY 63 Ca 0.00 -1.05 -0.23 0.00 0.00 0.00 0.00 46.02 44.74 1t8c n GLY 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1t8c s SER 64 N -2.57 3.25 -0.15 1.61 1.04 -1.26 -2.02 113.70 113.61 1t8c s SER 64 Ca 0.00 -1.13 -0.05 0.00 0.48 0.00 0.00 55.95 55.25 1t8c s SER 64 Cb 0.00 -0.25 -0.04 0.00 0.10 0.00 0.00 66.02 65.83 1t8c s SER 64 CO 0.00 -0.18 0.02 0.26 0.98 0.00 0.00 173.24 174.32 1t8c s TRP 65 N -2.75 3.18 0.38 5.02 0.51 -1.11 -3.75 118.94 120.41 1t8c s TRP 65 Ca 0.30 0.02 0.08 0.00 -2.12 0.00 0.00 56.10 54.37 1t8c s TRP 65 Cb 0.01 -1.98 -0.05 0.00 -0.81 0.00 0.00 33.47 30.64 1t8c s TRP 65 CO 0.13 0.20 0.14 0.96 -0.51 0.00 0.00 176.95 177.87 1t8c s ILE 66 N 0.03 2.60 -0.95 2.03 -4.36 -1.26 -3.91 121.20 115.39 1t8c s ILE 66 Ca 0.04 -1.74 -0.08 0.00 -0.26 0.00 0.00 60.65 58.61 1t8c s ILE 66 Cb -0.13 -2.95 -0.14 0.00 1.25 0.00 0.00 42.46 40.49 1t8c s ILE 66 CO 0.02 -0.09 2.94 0.61 0.24 0.00 0.00 174.94 178.65 1t8c n GLY 67 N -1.17 3.56 3.13 6.27 0.00 -1.23 -4.64 105.19 111.12 1t8c n GLY 67 Ca -0.02 -1.25 -0.30 0.00 0.00 0.00 0.00 46.02 44.45 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 1.93 -0.04 0.99 1.98 -1.26 -1.75 118.68 120.63 1t8c s LEU 68 Ca 0.61 -0.50 -0.02 0.00 -2.89 0.00 0.00 54.13 51.33 1t8c s LEU 68 Cb 0.20 -1.26 0.03 0.00 0.66 0.00 0.00 46.19 45.83 1t8c s LEU 68 CO -0.03 0.08 0.05 -0.60 -1.89 0.00 0.00 176.35 173.95 1t8c s ARG 69 N 0.72 0.02 0.25 1.98 3.00 0.15 -3.91 118.95 121.17 1t8c s ARG 69 Ca -0.11 0.33 -0.12 0.00 -1.00 0.00 0.00 55.73 54.83 1t8c s ARG 69 Cb -0.16 -0.56 -0.08 0.00 0.00 0.00 0.00 34.95 34.15 1t8c s ARG 69 CO 0.02 -0.32 0.61 1.21 0.00 0.00 0.00 175.30 176.82 1t8c s ASN 70 N 2.08 6.71 0.00 -2.12 3.84 -1.26 -0.19 114.94 124.01 1t8c s ASN 70 Ca 0.04 1.07 0.00 0.00 0.21 0.00 0.00 52.86 54.18 1t8c s ASN 70 Cb -0.12 -2.29 0.00 0.00 -0.55 0.00 0.00 41.25 38.29 1t8c s ASN 70 CO -0.03 -0.09 0.60 0.18 -2.79 0.00 0.00 177.10 174.97 1t8c n LEU 71 N -0.07 0.00 0.00 3.21 4.77 -1.07 -4.76 117.00 119.08 1t8c n LEU 71 Ca 0.01 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 1t8c n LEU 71 Cb 0.52 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1t8c n LEU 71 CO 0.44 -0.10 0.00 0.47 -1.33 0.00 0.00 177.39 176.86 1t8c n ASP 72 N -0.96 0.00 0.03 -1.43 8.00 -1.26 -4.99 116.55 115.94 1t8c n ASP 72 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1t8c n ASP 72 Cb 0.00 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 1t8c n ASP 72 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1t8c n LEU 73 N -1.60 -0.49 -1.23 0.64 -0.00 -1.26 -4.71 117.00 108.34 1t8c n LEU 73 Ca 0.00 0.11 0.12 0.00 -0.00 0.00 0.00 56.01 56.23 1t8c n LEU 73 Cb 0.00 0.88 0.26 0.00 -0.00 0.00 0.00 43.42 44.57 1t8c n LEU 73 CO 0.00 -0.39 0.73 0.29 -0.00 0.00 0.00 177.39 178.02 1t8c n LYS 74 N -2.60 2.61 0.00 1.47 5.02 -1.26 -4.89 118.16 118.51 1t8c n LYS 74 Ca 0.00 -2.45 0.00 0.00 -2.02 0.00 0.00 58.31 53.84 1t8c n LYS 74 Cb 0.00 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 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 1.53 0.87 3.18 0.72 0.00 -1.26 -5.08 105.19 105.15 1t8c n GLY 75 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 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 0.11 1.25 -0.13 1.61 8.01 -1.26 -5.00 118.70 123.29 1t8c s GLU 76 Ca 0.00 -0.74 -0.28 0.00 0.01 0.00 0.00 54.97 53.96 1t8c s GLU 76 Cb 0.00 -1.27 -0.01 0.00 -4.31 0.00 0.00 34.13 28.54 1t8c s GLU 76 CO 0.00 0.33 0.95 -0.06 0.01 0.00 0.00 175.26 176.50 1t8c s PHE 77 N -0.63 3.48 -0.03 1.61 0.08 -1.26 -2.60 117.98 118.63 1t8c s PHE 77 Ca 0.05 1.49 0.05 0.00 0.12 0.00 0.00 56.93 58.64 1t8c s PHE 77 Cb -0.07 -3.13 -0.03 0.00 -0.57 0.00 0.00 43.02 39.22 1t8c s PHE 77 CO 0.01 -0.23 -0.17 0.42 -0.10 0.00 0.00 175.22 175.15 1t8c s ILE 78 N 2.06 2.85 0.51 0.64 -1.09 0.73 -2.69 121.20 124.22 1t8c s ILE 78 Ca 0.45 -0.86 -0.19 0.00 -2.23 0.00 0.00 60.65 57.82 1t8c s ILE 78 Cb -0.18 -2.11 -0.07 0.00 -1.58 0.00 0.00 42.46 38.52 1t8c s ILE 78 CO 0.16 0.55 1.04 0.26 -1.23 0.00 0.00 174.94 175.72 1t8c s TRP 79 N -0.74 3.03 0.58 3.97 0.52 0.03 0.33 118.94 126.66 1t8c s TRP 79 Ca 0.12 1.55 0.28 0.00 0.02 0.00 0.00 56.10 58.08 1t8c s TRP 79 Cb -0.10 -3.03 1.75 0.00 -1.15 0.00 0.00 33.47 30.94 1t8c s TRP 79 CO 0.01 -0.85 2.22 -0.24 0.02 0.00 0.00 176.95 178.11 1t8c h VAL 80 N 1.25 0.56 0.00 4.03 3.04 -1.66 0.25 116.25 123.72 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 -0.44 3.17 2.03 -1.26 -4.88 116.55 111.27 1t8c n ASP 81 Ca -0.02 -0.35 0.00 0.00 0.52 0.00 0.00 54.79 54.94 1t8c n ASP 81 Cb 0.13 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 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 0.86 0.89 2.76 0.27 0.00 0.88 -5.08 105.19 105.76 1t8c n GLY 82 Ca 0.15 -0.50 -0.17 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 -2.73 0.52 0.59 1.61 0.15 -1.22 -4.92 113.70 107.70 1t8c s SER 83 Ca 0.00 0.12 -0.20 0.00 0.70 0.00 0.00 55.95 56.57 1t8c s SER 83 Cb 0.00 -0.03 -0.04 0.00 -1.71 0.00 0.00 66.02 64.25 1t8c s SER 83 CO 0.00 -0.19 1.26 1.57 1.20 0.00 0.00 173.24 177.08 1t8c n HIS 84 N 4.73 1.89 -0.84 3.44 -0.00 -1.26 -0.79 115.22 122.39 1t8c n HIS 84 Ca -0.16 0.43 -0.33 0.00 -0.00 0.00 0.00 57.72 57.66 1t8c n HIS 84 Cb 0.50 -2.29 0.13 0.00 -0.00 0.00 0.00 29.99 28.33 1t8c n HIS 84 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1t8c n VAL 85 N -1.44 0.35 0.07 3.57 0.31 -1.10 -4.82 118.33 115.28 1t8c n VAL 85 Ca 0.13 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1t8c n VAL 85 Cb 0.46 -0.77 0.00 0.00 -0.91 0.00 0.00 33.84 32.62 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 -2.09 0.77 -0.07 4.52 8.00 -1.26 -4.94 116.55 121.47 1t8c n ASP 86 Ca 0.09 0.23 -0.22 0.00 0.71 0.00 0.00 54.79 55.59 1t8c n ASP 86 Cb 0.53 -0.14 -0.12 0.00 -0.02 0.00 0.00 41.12 41.36 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 -3.48 0.90 -1.52 1.24 4.02 -1.26 -5.10 117.16 111.96 1t8c n TYR 87 Ca 0.00 0.30 0.13 0.00 -0.01 0.00 0.00 57.90 58.32 1t8c n TYR 87 Cb 0.00 -1.10 -0.07 0.00 -0.02 0.00 0.00 39.34 38.15 1t8c n TYR 87 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1t8c n SER 88 N -4.01 -8.24 0.00 7.72 3.41 -1.26 -4.97 113.62 106.27 1t8c n SER 88 Ca -0.36 1.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.88 1t8c n SER 88 Cb 0.85 -5.17 0.00 0.00 -0.26 0.00 0.00 64.21 59.64 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 -3.93 0.17 -3.88 4.04 3.02 -1.26 -5.07 115.26 108.35 1t8c n ASN 89 Ca -0.07 -0.02 -0.55 0.00 -0.03 0.00 0.00 54.58 53.91 1t8c n ASN 89 Cb 0.65 0.07 -0.11 0.00 -0.61 0.00 0.00 39.78 39.78 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 -0.08 1.08 -1.49 3.10 4.27 -1.25 -3.78 117.44 119.28 1t8c n TRP 90 Ca 0.00 0.72 -0.53 0.00 -3.89 0.00 0.00 57.50 53.80 1t8c n TRP 90 Cb 0.00 -2.08 -0.05 0.00 -1.36 0.00 0.00 31.31 27.82 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 6.65 -2.56 0.34 -1.67 0.00 0.34 -4.84 120.51 118.76 1t8c n ALA 91 Ca 0.49 0.51 0.14 0.00 0.00 0.00 0.00 53.44 54.58 1t8c n ALA 91 Cb -0.04 -1.79 0.51 0.00 0.00 0.00 0.00 19.45 18.13 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 2.49 0.00 -0.41 0.00 0.13 -1.92 -2.95 132.00 129.33 1t8c h PRO 92 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1t8c h PRO 92 Cb 1.41 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.54 1t8c h PRO 92 CO 0.64 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.82 1t8c n GLY 93 N 0.38 0.59 2.61 1.56 0.00 -1.26 -4.40 105.19 104.66 1t8c n GLY 93 Ca 0.02 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 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 0.16 1.53 0.05 1.61 2.13 -1.12 -4.91 120.64 120.08 1t8c n GLU 94 Ca 0.08 -4.12 0.10 0.00 0.66 0.00 0.00 57.16 53.88 1t8c n GLU 94 Cb 0.29 -2.03 0.41 0.00 0.27 0.00 0.00 31.44 30.37 1t8c n GLU 94 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1t8c n PRO 95 N 1.83 0.08 -0.64 5.31 -0.04 -1.26 -4.87 135.00 135.40 1t8c n PRO 95 Ca 0.25 0.28 0.09 0.00 -0.04 0.00 0.00 63.50 64.07 1t8c n PRO 95 Cb 0.41 -1.64 -0.02 0.00 -0.04 0.00 0.00 33.50 32.21 1t8c n PRO 95 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1t8c n THR 96 N -1.79 0.00 -3.43 0.52 -1.04 -1.26 -5.04 114.28 102.24 1t8c n THR 96 Ca 0.04 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.03 1t8c n THR 96 Cb 0.22 -0.22 0.01 0.00 -1.82 0.00 0.00 70.33 68.52 1t8c n THR 96 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1t8c n SER 97 N -3.66 -0.60 -0.59 8.00 7.64 -1.26 -5.15 113.62 118.00 1t8c n SER 97 Ca 0.00 -1.36 0.00 0.00 1.01 0.00 0.00 58.87 58.52 1t8c n SER 97 Cb 0.29 0.99 0.00 0.00 -1.01 0.00 0.00 64.21 64.48 1t8c n SER 97 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1t8c n ARG 98 N -0.19 0.00 -3.68 1.43 0.63 -1.26 -4.94 116.66 108.64 1t8c n ARG 98 Ca -0.02 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.77 1t8c n ARG 98 Cb 0.18 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.01 1t8c n ARG 98 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1t8c s SER 99 N -4.00 -0.39 0.19 6.15 0.01 -1.26 -5.09 113.70 109.31 1t8c s SER 99 Ca 0.00 0.45 -0.08 0.00 1.31 0.00 0.00 55.95 57.63 1t8c s SER 99 Cb 0.00 0.51 0.03 0.00 0.21 0.00 0.00 66.02 66.77 1t8c s SER 99 CO 0.00 -0.44 0.40 1.67 0.41 0.00 0.00 173.24 175.28 1t8c n GLN 100 N 1.49 0.56 -0.01 12.44 -0.06 -1.26 -5.05 117.38 125.48 1t8c n GLN 100 Ca -0.19 -1.09 0.10 0.00 -2.00 0.00 0.00 57.00 53.82 1t8c n GLN 100 Cb 0.56 1.37 -0.15 0.00 -4.06 0.00 0.00 30.24 27.96 1t8c n GLN 100 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1t8c n GLY 101 N -0.27 -0.99 3.66 1.69 0.00 -1.26 -4.73 105.19 103.29 1t8c n GLY 101 Ca -0.04 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 1t8c n GLY 101 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1t8c s GLU 102 N -3.30 0.49 -0.30 1.61 0.41 -1.26 -4.95 118.70 111.41 1t8c s GLU 102 Ca -0.02 0.72 -0.11 0.00 -0.41 0.00 0.00 54.97 55.15 1t8c s GLU 102 Cb 0.15 -1.73 0.18 0.00 -1.78 0.00 0.00 34.13 30.95 1t8c s GLU 102 CO 0.89 -2.74 1.01 0.16 -0.49 0.00 0.00 175.26 174.08 1t8c s ASP 103 N -3.25 -0.54 -0.16 -0.19 -4.77 0.11 -4.55 116.67 103.32 1t8c s ASP 103 Ca 0.65 0.24 -0.28 0.00 -3.30 0.00 0.00 52.55 49.86 1t8c s ASP 103 Cb -0.20 1.41 0.08 0.00 -1.09 0.00 0.00 42.92 43.13 1t8c s ASP 103 CO 0.59 -0.10 0.74 0.00 0.70 0.00 0.00 175.17 177.10 1t8c s VAL 105 N -0.50 4.35 0.42 0.00 1.01 -1.25 -2.63 120.40 121.80 1t8c s VAL 105 Ca -0.05 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 61.81 1t8c s VAL 105 Cb -0.02 -2.95 -0.07 0.00 0.00 0.00 0.00 36.38 33.34 1t8c s VAL 105 CO 0.05 0.46 0.04 0.00 0.00 0.00 0.00 175.10 175.65 1t8c s MET 106 N 0.49 2.01 -0.09 2.72 0.23 -0.67 -4.08 119.30 119.90 1t8c s MET 106 Ca 0.00 -2.09 0.04 0.00 -1.03 0.00 0.00 55.69 52.62 1t8c s MET 106 Cb -0.13 -1.69 0.00 0.00 -1.53 0.00 0.00 34.83 31.48 1t8c s MET 106 CO 0.02 -0.08 -0.23 0.00 -2.03 0.00 0.00 175.02 172.70 1t8c s MET 107 N -3.75 2.81 0.65 3.16 0.23 -1.25 0.98 119.30 122.13 1t8c s MET 107 Ca 0.34 -0.82 -0.00 0.00 -1.03 0.00 0.00 55.69 54.18 1t8c s MET 107 Cb 0.09 -2.16 0.13 0.00 -1.53 0.00 0.00 34.83 31.35 1t8c s MET 107 CO 0.18 0.19 0.89 -2.13 -2.03 0.00 0.00 175.02 172.12 1t8c n ARG 108 N 3.48 -0.03 0.21 3.16 0.63 -1.07 -3.85 116.66 119.18 1t8c n ARG 108 Ca -0.19 -2.44 0.14 0.00 -0.92 0.00 0.00 57.85 54.44 1t8c n ARG 108 Cb 0.53 -0.59 0.50 0.00 0.45 0.00 0.00 32.46 33.34 1t8c n ARG 108 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1t8c h GLY 109 N -0.52 0.00 0.60 5.14 0.00 -1.91 -3.21 103.07 103.17 1t8c h GLY 109 Ca -0.30 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.10 1t8c h GLY 109 CO 0.32 0.00 0.26 1.76 0.00 0.00 0.00 176.54 178.87 1t8c h SER 110 N 0.00 0.33 0.00 0.19 0.02 -1.96 -3.46 113.55 108.67 1t8c h SER 110 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1t8c h SER 110 Cb 0.61 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1t8c h SER 110 CO 0.00 0.22 0.00 0.61 -1.14 0.00 0.00 176.83 176.52 1t8c n GLY 111 N -1.27 1.25 0.00 -3.77 0.00 -1.21 -5.14 105.19 95.05 1t8c n GLY 111 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1t8c n GLY 111 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1t8c n ARG 112 N 0.00 0.00 -4.08 1.61 -4.01 -1.26 -4.75 116.66 104.17 1t8c n ARG 112 Ca 0.00 0.00 -0.22 0.00 -1.04 0.00 0.00 57.85 56.59 1t8c n ARG 112 Cb 0.00 0.00 -0.05 0.00 -3.04 0.00 0.00 32.46 29.37 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 -1.94 2.92 -0.05 2.89 0.52 -1.25 -2.60 118.94 119.43 1t8c s TRP 113 Ca 0.00 -0.22 -0.02 0.00 0.02 0.00 0.00 56.10 55.88 1t8c s TRP 113 Cb 0.00 -1.48 0.03 0.00 -1.15 0.00 0.00 33.47 30.87 1t8c s TRP 113 CO 0.00 0.44 0.08 -0.80 0.02 0.00 0.00 176.95 176.68 1t8c s ASN 114 N -3.84 1.15 -0.23 2.95 0.01 0.27 -0.51 114.94 114.74 1t8c s ASN 114 Ca 0.35 0.08 -0.22 0.00 -0.71 0.00 0.00 52.86 52.36 1t8c s ASN 114 Cb -0.06 -0.08 -0.02 0.00 0.41 0.00 0.00 41.25 41.50 1t8c s ASN 114 CO 0.24 -0.26 0.69 -0.62 -1.51 0.00 0.00 177.10 175.65 1t8c s ASP 115 N 2.19 6.69 0.16 -1.22 2.15 -1.26 -1.67 116.67 123.71 1t8c s ASP 115 Ca 0.05 0.85 -0.19 0.00 0.43 0.00 0.00 52.55 53.69 1t8c s ASP 115 Cb -0.12 -2.37 0.04 0.00 -0.30 0.00 0.00 42.92 40.17 1t8c s ASP 115 CO -0.04 -0.39 0.51 0.00 -0.17 0.00 0.00 175.17 175.09 1t8c s ALA 116 N 2.43 -1.16 0.00 3.66 0.00 -1.08 -4.88 121.76 120.73 1t8c s ALA 116 Ca 0.30 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1t8c s ALA 116 Cb -0.16 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.77 1t8c s ALA 116 CO 0.09 -0.74 0.71 1.19 0.00 0.00 0.00 175.76 177.00 1t8c n PHE 117 N -0.32 0.00 0.00 0.00 3.72 -1.26 -1.61 117.46 117.99 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 0.64 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 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 0.00 -2.77 0.00 3.32 -1.95 -3.45 116.42 111.56 1t8c h ASP 119 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 1t8c h ASP 119 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1t8c h ASP 119 CO 0.00 0.75 0.94 -0.13 -1.72 0.00 0.00 179.24 179.08 1t8c s ARG 120 N -2.81 4.23 -0.44 3.56 1.81 -1.26 -4.98 118.95 119.06 1t8c s ARG 120 Ca -0.00 2.13 -0.15 0.00 -1.72 0.00 0.00 55.73 55.98 1t8c s ARG 120 Cb 0.09 -3.66 0.05 0.00 -0.45 0.00 0.00 34.95 30.97 1t8c s ARG 120 CO 0.80 -0.69 0.35 0.21 -0.68 0.00 0.00 175.30 175.30 1t8c s LYS 121 N 2.81 2.98 0.00 3.54 2.47 -1.26 -4.96 119.74 125.32 1t8c s LYS 121 Ca 0.69 -1.16 0.00 0.00 -1.56 0.00 0.00 55.97 53.94 1t8c s LYS 121 Cb -0.34 -4.05 0.00 0.00 -1.46 0.00 0.00 37.83 31.97 1t8c s LYS 121 CO 0.29 -0.89 0.00 1.28 0.16 0.00 0.00 175.35 176.19 1t8c n LEU 122 N 5.21 0.00 -0.50 5.43 4.32 -1.26 -4.89 117.00 125.30 1t8c n LEU 122 Ca -0.11 0.00 -0.00 0.00 -0.02 0.00 0.00 56.01 55.88 1t8c n LEU 122 Cb 0.45 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.25 1t8c n LEU 122 CO 0.44 -0.15 0.25 0.61 -1.22 0.00 0.00 177.39 177.32 1t8c n GLY 123 N 5.00 0.87 3.13 -0.72 0.00 -1.23 -4.82 105.19 107.42 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 -0.72 -0.33 4.61 0.00 -0.85 -1.33 121.76 123.13 1t8c s ALA 124 Ca 0.00 1.12 -0.11 0.00 0.00 0.00 0.00 51.96 52.97 1t8c s ALA 124 Cb 0.00 -0.69 -0.00 0.00 0.00 0.00 0.00 23.12 22.42 1t8c s ALA 124 CO -0.00 -0.21 0.19 1.67 0.00 0.00 0.00 175.76 177.42 1t8c s TRP 125 N 1.13 3.20 -0.09 0.00 1.48 -0.39 -2.75 118.94 121.53 1t8c s TRP 125 Ca -0.08 -0.50 0.01 0.00 -1.06 0.00 0.00 56.10 54.46 1t8c s TRP 125 Cb -0.09 -2.41 -0.03 0.00 -1.16 0.00 0.00 33.47 29.79 1t8c s TRP 125 CO -0.08 -0.45 -0.10 0.08 -4.06 0.00 0.00 176.95 172.33 1t8c s VAL 126 N 1.64 3.42 0.17 -0.66 1.01 -1.25 -0.37 120.40 124.36 1t8c s VAL 126 Ca 0.05 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 1t8c s VAL 126 Cb -0.17 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1t8c s VAL 126 CO 0.08 0.57 0.08 0.00 0.00 0.00 0.00 175.10 175.83 1t8c s ASP 128 N -3.13 2.14 0.01 0.00 -4.77 0.17 0.11 116.67 111.19 1t8c s ASP 128 Ca 0.31 -0.41 -0.26 0.00 -3.30 0.00 0.00 52.55 48.89 1t8c s ASP 128 Cb 0.07 -0.20 0.06 0.00 -1.09 0.00 0.00 42.92 41.76 1t8c s ASP 128 CO 0.07 0.17 0.60 -0.60 0.70 0.00 0.00 175.17 176.11 1t8c s ARG 129 N -0.78 1.05 0.19 2.11 6.06 0.27 0.10 118.95 127.95 1t8c s ARG 129 Ca 0.06 -0.01 -0.31 0.00 -2.50 0.00 0.00 55.73 52.97 1t8c s ARG 129 Cb -0.08 0.49 -0.09 0.00 0.06 0.00 0.00 34.95 35.33 1t8c s ARG 129 CO 0.00 -0.36 1.44 -0.51 -2.50 0.00 0.00 175.30 173.37 1t8c s LEU 130 N -1.63 4.38 -0.72 -0.88 2.01 -1.26 0.26 118.68 120.83 1t8c s LEU 130 Ca -0.08 2.53 -0.26 0.00 0.01 0.00 0.00 54.13 56.34 1t8c s LEU 130 Cb -0.01 -3.61 -0.11 0.00 0.01 0.00 0.00 46.19 42.47 1t8c s LEU 130 CO 0.03 -0.69 2.37 0.00 1.01 0.00 0.00 176.35 179.07 1t8c s ALA 131 N 0.55 1.00 0.15 4.21 0.00 -1.20 -4.72 121.76 121.75 1t8c s ALA 131 Ca 0.63 -0.65 0.02 0.00 0.00 0.00 0.00 51.96 51.95 1t8c s ALA 131 Cb -0.40 -4.52 -0.01 0.00 0.00 0.00 0.00 23.12 18.19 1t8c s ALA 131 CO 0.36 -5.48 0.06 0.25 0.00 0.00 0.00 175.76 170.96 1t8c n THR 132 N 8.52 0.00 0.10 0.00 -2.24 -1.26 -3.69 114.28 115.70 1t8c n THR 132 Ca 0.43 -0.88 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1t8c n THR 132 Cb 0.46 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 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 -2.00 2.85 0.04 0.00 -4.23 -1.26 -4.97 115.64 106.07 1t8c s THR 134 Ca 0.00 0.80 -0.30 0.00 -1.18 0.00 0.00 61.69 61.00 1t8c s THR 134 Cb 0.00 -3.49 -0.06 0.00 1.34 0.00 0.00 72.50 70.29 1t8c s THR 134 CO 0.00 0.15 1.34 -2.16 -0.54 0.00 0.00 174.62 173.41 1t8c s PRO 135 N -1.99 4.33 -0.64 3.99 0.04 -1.26 -4.91 135.00 134.56 1t8c s PRO 135 Ca 0.52 1.93 -0.26 0.00 0.04 0.00 0.00 61.00 63.23 1t8c s PRO 135 Cb -0.37 -3.44 -0.11 0.00 0.04 0.00 0.00 34.50 30.62 1t8c s PRO 135 CO 0.48 -0.46 2.43 -2.30 0.04 0.00 0.00 177.00 177.19 1t8c n PRO 136 N 4.67 0.77 0.00 0.56 -0.02 -1.26 -4.73 135.00 134.99 1t8c n PRO 136 Ca 0.12 -0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 1t8c n PRO 136 Cb 0.44 -3.28 0.00 0.00 -0.02 0.00 0.00 33.50 30.64 1t8c n PRO 136 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t8c n ALA 137 N 15.98 0.00 -1.03 3.55 0.00 -1.26 -4.97 120.51 132.79 1t8c n ALA 137 Ca 0.44 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.92 1t8c n ALA 137 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.90 1t8c n ALA 137 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1t8c n SER 138 N -3.16 -6.15 -3.20 0.00 7.64 -1.26 -4.86 113.62 102.63 1t8c n SER 138 Ca 0.00 0.34 -0.23 0.00 1.01 0.00 0.00 58.87 59.99 1t8c n SER 138 Cb 0.00 -0.97 0.02 0.00 -1.01 0.00 0.00 64.21 62.25 1t8c n SER 138 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1t8c n GLU 139 N -2.36 -4.41 -2.72 1.43 2.13 -1.26 -4.91 120.64 108.54 1t8c n GLU 139 Ca 0.00 0.72 -0.43 0.00 0.66 0.00 0.00 57.16 58.12 1t8c n GLU 139 Cb 0.14 -5.53 -0.03 0.00 0.27 0.00 0.00 31.44 26.30 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 -2.74 1.64 0.02 8.31 0.00 -1.26 -5.01 107.32 108.28 1t8c s GLY 140 Ca 0.36 -0.05 -0.30 0.00 0.00 0.00 0.00 44.72 44.73 1t8c s GLY 140 CO 0.44 2.12 1.27 -0.56 0.00 0.00 0.00 173.10 176.38 1t8c s SER 141 N 1.49 6.99 -0.89 1.64 0.01 -1.26 -4.98 113.70 116.70 1t8c s SER 141 Ca 0.42 2.01 -0.12 0.00 1.31 0.00 0.00 55.95 59.57 1t8c s SER 141 Cb -0.14 -2.57 0.23 0.00 0.21 0.00 0.00 66.02 63.76 1t8c s SER 141 CO 0.11 -0.58 0.84 0.00 0.41 0.00 0.00 173.24 174.02 1t8c s ALA 142 N 1.74 4.23 -0.43 1.44 0.00 -1.26 -5.29 121.76 122.18 1t8c s ALA 142 Ca 0.60 -3.46 0.03 0.00 0.00 0.00 0.00 51.96 49.13 1t8c s ALA 142 Cb -0.29 -3.48 0.03 0.00 0.00 0.00 0.00 23.12 19.38 1t8c s ALA 142 CO 0.26 -2.25 0.61 -1.91 0.00 0.00 0.00 175.76 172.47