#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t8c s GLY 2 N 0.00 1.81 -0.22 0.23 0.00 -1.26 -5.01 107.32 102.87 1t8c s GLY 2 Ca 0.00 -2.47 -0.18 0.00 0.00 0.00 0.00 44.72 42.07 1t8c s GLY 2 CO 0.00 1.88 0.51 -0.12 0.00 0.00 0.00 173.10 175.37 1t8c s PHE 3 N 2.84 3.33 -0.02 1.90 5.36 -1.26 -4.60 117.98 125.54 1t8c s PHE 3 Ca 0.25 0.71 -0.01 0.00 -0.96 0.00 0.00 56.93 56.92 1t8c s PHE 3 Cb -0.12 -2.68 -0.01 0.00 -0.34 0.00 0.00 43.02 39.87 1t8c s PHE 3 CO -0.01 -0.16 -0.02 1.33 -1.46 0.00 0.00 175.22 174.89 1t8c n VAL 4 N 4.77 0.11 -2.87 3.12 0.24 -1.26 -5.14 118.33 117.30 1t8c n VAL 4 Ca -0.05 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 1t8c n VAL 4 Cb 0.50 -1.15 0.00 0.00 -1.47 0.00 0.00 33.84 31.72 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 -0.37 0.11 -1.13 0.00 0.23 -1.26 -4.92 115.26 107.92 1t8c n ASN 6 Ca 0.00 -3.07 0.05 0.00 -0.53 0.00 0.00 54.58 51.03 1t8c n ASN 6 Cb 0.00 0.02 0.22 0.00 -2.08 0.00 0.00 39.78 37.94 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 0.19 1.25 -3.86 5.53 5.66 -1.26 -4.64 114.28 117.15 1t8c n THR 7 Ca 0.17 -0.73 -0.31 0.00 -3.05 0.00 0.00 64.05 60.13 1t8c n THR 7 Cb 0.71 -0.14 -0.12 0.00 -1.55 0.00 0.00 70.33 69.23 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 6.08 -0.04 0.00 0.00 0.13 -1.82 -3.45 132.00 132.89 1t8c h PRO 9 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1t8c h PRO 9 Cb 0.84 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1t8c h PRO 9 CO 0.72 -0.03 0.00 0.39 -0.23 0.00 0.00 178.00 178.86 1t8c n GLU 10 N -3.03 0.00 -0.21 0.86 1.02 -1.26 -4.87 120.64 113.15 1t8c n GLU 10 Ca -0.01 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.14 1t8c n GLU 10 Cb 0.02 0.00 0.12 0.00 -0.02 0.00 0.00 31.44 31.55 1t8c n GLU 10 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1t8c h LYS 11 N 0.00 0.34 -6.77 3.49 1.57 -1.93 -3.40 116.57 109.87 1t8c h LYS 11 Ca 0.00 -0.02 -0.52 0.00 -1.87 0.00 0.00 60.65 58.24 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 0.23 0.57 -1.58 -0.57 0.00 0.00 179.45 178.10 1t8c s TRP 12 N -6.09 3.34 -0.07 -1.35 0.52 -1.25 -3.83 118.94 110.21 1t8c s TRP 12 Ca -0.13 1.47 0.01 0.00 0.02 0.00 0.00 56.10 57.46 1t8c s TRP 12 Cb 0.18 -3.48 0.02 0.00 -1.15 0.00 0.00 33.47 29.03 1t8c s TRP 12 CO 0.74 -1.30 -0.07 0.42 0.02 0.00 0.00 176.95 176.76 1t8c s ILE 13 N -0.63 0.82 0.12 2.03 -1.09 -0.53 -4.07 121.20 117.84 1t8c s ILE 13 Ca 0.50 -0.24 0.04 0.00 -2.23 0.00 0.00 60.65 58.72 1t8c s ILE 13 Cb -0.35 -0.82 -0.04 0.00 -1.58 0.00 0.00 42.46 39.67 1t8c s ILE 13 CO 0.42 0.30 0.10 0.21 -1.23 0.00 0.00 174.94 174.75 1t8c s ASN 14 N 1.16 5.51 0.00 3.58 3.84 -1.26 0.11 114.94 127.88 1t8c s ASN 14 Ca -0.06 -0.07 0.00 0.00 0.21 0.00 0.00 52.86 52.94 1t8c s ASN 14 Cb -0.14 -1.46 0.00 0.00 -0.55 0.00 0.00 41.25 39.10 1t8c s ASN 14 CO -0.01 0.12 0.00 0.49 -2.79 0.00 0.00 177.10 174.91 1t8c n PHE 15 N 0.09 0.00 -0.24 0.43 3.01 0.16 -4.95 117.46 115.97 1t8c n PHE 15 Ca -0.08 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.41 1t8c n PHE 15 Cb 0.53 0.00 0.16 0.00 -0.01 0.00 0.00 39.48 40.16 1t8c n PHE 15 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1t8c h GLN 16 N 0.00 0.32 0.00 -1.08 1.08 -1.99 -3.40 115.11 110.04 1t8c h GLN 16 Ca 0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1t8c h GLN 16 Cb 0.00 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 1t8c h GLN 16 CO 0.00 0.21 0.00 2.89 -0.95 0.00 0.00 178.83 180.98 1t8c n ARG 17 N -5.09 0.00 -4.30 1.46 0.00 -1.26 -4.05 116.66 103.42 1t8c n ARG 17 Ca 0.13 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.73 1t8c n ARG 17 Cb 0.40 0.00 -0.08 0.00 -0.00 0.00 0.00 32.46 32.78 1t8c n ARG 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 1t8c s LYS 18 N 0.00 2.22 0.32 2.89 -2.85 -1.26 -3.52 119.74 117.54 1t8c s LYS 18 Ca 0.00 -1.38 0.07 0.00 -1.00 0.00 0.00 55.97 53.66 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 -0.04 0.00 0.10 0.00 0.00 175.35 175.80 1t8c s TYR 20 N -2.94 1.94 -0.42 0.00 1.51 0.30 -0.62 117.35 117.12 1t8c s TYR 20 Ca 0.32 -0.60 -0.16 0.00 -1.01 0.00 0.00 57.07 55.61 1t8c s TYR 20 Cb 0.05 -1.30 0.03 0.00 -0.11 0.00 0.00 41.96 40.62 1t8c s TYR 20 CO 0.14 -0.21 0.40 -0.47 -1.11 0.00 0.00 175.55 174.30 1t8c s TYR 21 N 0.07 3.19 -0.23 2.71 5.04 0.26 -1.45 117.35 126.95 1t8c s TYR 21 Ca -0.06 -0.49 -0.10 0.00 -2.44 0.00 0.00 57.07 53.98 1t8c s TYR 21 Cb -0.13 -2.84 -0.05 0.00 0.35 0.00 0.00 41.96 39.29 1t8c s TYR 21 CO 0.03 -0.69 0.14 -0.06 -1.34 0.00 0.00 175.55 173.63 1t8c s PHE 22 N 1.97 3.29 0.00 4.97 0.40 -1.25 -0.63 117.98 126.73 1t8c s PHE 22 Ca 0.09 0.15 0.00 0.00 -0.60 0.00 0.00 56.93 56.57 1t8c s PHE 22 Cb -0.18 -2.23 0.00 0.00 0.51 0.00 0.00 43.02 41.12 1t8c s PHE 22 CO 0.12 0.05 0.00 0.41 0.70 0.00 0.00 175.22 176.50 1t8c n GLY 23 N 4.19 3.90 3.25 4.36 0.00 0.93 -4.71 105.19 117.12 1t8c n GLY 23 Ca -0.15 -1.57 -0.19 0.00 0.00 0.00 0.00 46.02 44.10 1t8c n GLY 23 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1t8c s LYS 24 N -1.75 1.03 0.00 1.61 2.20 -1.26 -1.57 119.74 120.00 1t8c s LYS 24 Ca 0.00 -1.19 0.00 0.00 -0.36 0.00 0.00 55.97 54.42 1t8c s LYS 24 Cb 0.00 -1.02 0.00 0.00 -1.51 0.00 0.00 37.83 35.30 1t8c s LYS 24 CO 0.00 0.21 0.00 0.41 -0.36 0.00 0.00 175.35 175.61 1t8c n GLY 25 N 0.73 2.80 3.60 5.54 0.00 -0.51 -4.46 105.19 112.89 1t8c n GLY 25 Ca -0.17 0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 1t8c n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t8c s THR 26 N 0.00 5.09 0.00 2.61 2.01 -1.26 -2.50 115.64 121.59 1t8c s THR 26 Ca 0.00 0.62 0.00 0.00 0.31 0.00 0.00 61.69 62.62 1t8c s THR 26 Cb 0.00 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.69 1t8c s THR 26 CO 0.00 0.03 0.00 0.29 -0.69 0.00 0.00 174.62 174.25 1t8c n LYS 27 N 5.52 0.00 -4.49 4.92 4.76 -1.25 -5.01 118.16 122.60 1t8c n LYS 27 Ca -0.06 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.09 1t8c n LYS 27 Cb 0.50 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.61 1t8c n LYS 27 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1t8c s GLN 28 N 4.47 2.12 0.11 1.97 -0.21 -1.26 -4.05 119.66 122.82 1t8c s GLN 28 Ca 0.00 -2.14 -0.19 0.00 0.02 0.00 0.00 55.36 53.05 1t8c s GLN 28 Cb 0.00 -1.72 -0.06 0.00 1.00 0.00 0.00 33.01 32.23 1t8c s GLN 28 CO 0.00 -0.22 1.72 2.35 -2.12 0.00 0.00 175.29 177.02 1t8c h TRP 29 N 1.46 0.32 -0.53 0.91 7.01 -1.95 -2.22 115.95 120.95 1t8c h TRP 29 Ca -0.43 -0.01 0.13 0.00 2.11 0.00 0.00 58.89 60.70 1t8c h TRP 29 Cb 1.27 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 28.21 1t8c h TRP 29 CO 0.99 0.27 0.37 -0.39 -2.79 0.00 0.00 178.44 176.90 1t8c h VAL 30 N 0.27 0.78 -0.07 2.65 -1.51 -1.99 0.12 116.25 116.51 1t8c h VAL 30 Ca 0.08 -0.03 -0.14 0.00 -1.23 0.00 0.00 66.70 65.38 1t8c h VAL 30 Cb 0.06 0.67 -0.01 0.00 -2.13 0.00 0.00 31.29 29.88 1t8c h VAL 30 CO -0.01 0.02 -0.58 -0.74 -1.23 0.00 0.00 177.57 175.03 1t8c h HIS 31 N 0.10 0.27 -0.03 5.19 2.76 -1.81 -1.99 115.15 119.64 1t8c h HIS 31 Ca 0.25 -0.10 -0.02 0.00 -2.20 0.00 0.00 60.37 58.30 1t8c h HIS 31 Cb 0.86 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.77 1t8c h HIS 31 CO -0.00 0.74 -0.05 0.00 -1.30 0.00 0.00 177.93 177.32 1t8c h ALA 32 N 1.24 0.05 -0.78 5.26 0.00 -0.54 -0.91 119.26 123.57 1t8c h ALA 32 Ca -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1t8c h ALA 32 Cb 1.06 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1t8c h ALA 32 CO 0.09 -0.13 0.46 0.07 0.00 0.00 0.00 179.25 179.74 1t8c h ARG 33 N -0.42 1.07 -0.00 0.00 0.11 -1.41 -1.17 114.38 112.56 1t8c h ARG 33 Ca 0.00 -0.10 -0.13 0.00 0.10 0.00 0.00 59.98 59.86 1t8c h ARG 33 Cb 0.60 -0.22 -0.02 0.00 1.11 0.00 0.00 29.97 31.44 1t8c h ARG 33 CO 0.01 0.76 -0.61 -0.92 0.10 0.00 0.00 179.97 179.31 1t8c h TYR 34 N 1.08 0.00 -0.25 4.08 5.03 -1.35 -1.47 116.97 124.09 1t8c h TYR 34 Ca 0.28 -0.00 -0.18 0.00 2.58 0.00 0.00 58.73 61.41 1t8c h TYR 34 Cb -0.03 -0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.25 1t8c h TYR 34 CO 0.00 0.61 -0.53 0.00 -1.32 0.00 0.00 178.16 176.92 1t8c h ALA 35 N 1.39 0.40 0.00 1.82 0.00 -0.30 -2.06 119.26 120.51 1t8c h ALA 35 Ca -0.01 -0.51 -0.13 0.00 0.00 0.00 0.00 54.91 54.27 1t8c h ALA 35 Cb 1.07 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1t8c h ALA 35 CO 0.08 0.60 -0.60 0.00 0.00 0.00 0.00 179.25 179.33 1t8c h ASP 37 N 0.00 0.00 -0.98 0.00 3.32 -1.19 -0.72 116.42 116.86 1t8c h ASP 37 Ca -0.01 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.09 1t8c h ASP 37 Cb 1.21 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.70 1t8c h ASP 37 CO 0.08 0.29 0.64 -0.78 -1.72 0.00 0.00 179.24 177.74 1t8c h ASP 38 N 0.00 1.05 0.00 6.45 3.58 -1.21 -3.44 116.42 122.85 1t8c h ASP 38 Ca -0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1t8c h ASP 38 Cb 0.96 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.78 1t8c h ASP 38 CO 0.04 0.71 0.00 1.15 -2.88 0.00 0.00 179.24 178.26 1t8c n MET 39 N -4.45 0.00 0.00 0.28 0.00 -1.21 -5.07 117.12 106.66 1t8c n MET 39 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.84 1t8c n MET 39 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.34 1t8c n MET 39 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1t8c n GLU 40 N 0.00 0.00 0.00 3.17 -0.58 -1.05 -5.00 120.64 117.18 1t8c n GLU 40 Ca 0.00 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 1t8c n GLU 40 Cb 0.00 -0.63 0.00 0.00 -0.57 0.00 0.00 31.44 30.24 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 -0.21 -0.47 3.40 0.62 0.00 -0.30 -4.82 105.19 103.42 1t8c n GLY 41 Ca 0.00 0.43 -0.10 0.00 0.00 0.00 0.00 46.02 46.34 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 0.41 1.21 -0.33 1.61 0.74 0.33 -4.56 119.66 119.07 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 0.00 175.29 174.48 1t8c s LEU 43 N -2.84 3.76 0.00 3.68 2.96 -1.26 0.42 118.68 125.39 1t8c s LEU 43 Ca 0.06 1.12 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 -0.08 -1.26 0.14 1.33 -1.32 0.00 0.00 176.35 175.16 1t8c n VAL 44 N 6.61 0.00 -2.78 1.68 0.24 -1.26 -3.40 118.33 119.43 1t8c n VAL 44 Ca 0.16 0.21 -0.11 0.00 -2.04 0.00 0.00 64.34 62.57 1t8c n VAL 44 Cb 0.47 -0.29 0.05 0.00 -1.47 0.00 0.00 33.84 32.60 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 -1.93 -5.40 -4.61 -1.34 2.88 -1.26 -4.55 113.62 97.41 1t8c n SER 45 Ca 0.00 -0.52 -0.48 0.00 -1.33 0.00 0.00 58.87 56.54 1t8c n SER 45 Cb 0.00 -3.94 -0.04 0.00 -0.75 0.00 0.00 64.21 59.48 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 -2.76 0.69 -0.13 2.46 -0.00 -1.26 -4.80 119.36 113.57 1t8c n ILE 46 Ca -0.05 -0.17 0.00 0.00 -0.00 0.00 0.00 62.75 62.53 1t8c n ILE 46 Cb 0.59 -1.05 0.00 0.00 -0.00 0.00 0.00 39.64 39.17 1t8c n ILE 46 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.55 178.12 1t8c n HIS 47 N 1.92 0.00 -4.24 4.28 -0.00 -1.26 -4.87 115.22 111.05 1t8c n HIS 47 Ca 0.15 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 58.01 1t8c n HIS 47 Cb 0.26 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 29.96 1t8c n HIS 47 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1t8c s SER 48 N -0.19 3.00 0.56 0.26 0.15 -1.26 -4.87 113.70 111.34 1t8c s SER 48 Ca 0.00 -0.59 0.38 0.00 0.70 0.00 0.00 55.95 56.43 1t8c s SER 48 Cb 0.00 -1.39 1.52 0.00 -1.71 0.00 0.00 66.02 64.44 1t8c s SER 48 CO 0.00 0.01 1.71 -0.65 1.20 0.00 0.00 173.24 175.51 1t8c h PRO 49 N 7.80 0.00 -0.07 5.44 0.11 -1.99 0.57 132.00 143.86 1t8c h PRO 49 Ca -0.41 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.61 1t8c h PRO 49 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1t8c h PRO 49 CO 0.59 0.00 -0.33 1.49 -0.21 0.00 0.00 178.00 179.54 1t8c h GLU 50 N 0.00 0.35 -0.46 1.05 4.81 -1.98 -1.79 114.58 116.57 1t8c h GLU 50 Ca 0.60 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 59.52 1t8c h GLU 50 Cb 2.55 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 31.97 1t8c h GLU 50 CO -0.01 0.92 0.16 0.93 -0.73 0.00 0.00 179.01 180.28 1t8c h GLU 51 N -0.14 0.70 -0.69 1.92 5.08 -0.35 0.39 114.58 121.48 1t8c h GLU 51 Ca -0.02 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 1t8c h GLU 51 Cb 0.98 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 1t8c h GLU 51 CO 0.07 0.66 0.26 -0.56 -1.00 0.00 0.00 179.01 178.44 1t8c h GLN 52 N 0.60 1.04 -0.26 2.33 -0.00 -1.15 -1.83 115.11 115.85 1t8c h GLN 52 Ca 0.15 -0.20 -0.10 0.00 -0.00 0.00 0.00 58.65 58.50 1t8c h GLN 52 Cb 0.24 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.48 27.54 1t8c h GLN 52 CO -0.01 0.87 -0.27 0.22 -0.00 0.00 0.00 178.83 179.64 1t8c h ASP 53 N 0.99 0.52 0.11 0.06 3.58 -1.04 -0.35 116.42 120.30 1t8c h ASP 53 Ca 0.23 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 1t8c h ASP 53 Cb 0.23 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.14 1t8c h ASP 53 CO -0.02 0.78 -0.05 -0.26 -2.88 0.00 0.00 179.24 176.81 1t8c h PHE 54 N 0.45 -0.14 -0.10 0.28 0.04 0.48 0.18 116.94 118.14 1t8c h PHE 54 Ca 0.06 -0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.61 1t8c h PHE 54 Cb 0.71 0.05 0.01 0.00 2.20 0.00 0.00 35.95 38.91 1t8c h PHE 54 CO 0.03 -0.08 -0.82 1.37 -0.60 0.00 0.00 178.31 178.20 1t8c h LEU 55 N -0.16 0.77 -1.10 1.54 8.10 -1.32 -0.29 115.31 122.86 1t8c h LEU 55 Ca -0.02 -0.54 0.00 0.00 0.11 0.00 0.00 57.88 57.44 1t8c h LEU 55 Cb 0.12 -0.23 -0.04 0.00 -0.44 0.00 0.00 40.66 40.07 1t8c h LEU 55 CO 0.03 1.32 0.54 0.74 -4.11 0.00 0.00 178.44 176.95 1t8c h THR 56 N 0.42 1.23 -0.04 0.15 2.02 -0.95 0.77 112.91 116.51 1t8c h THR 56 Ca -0.06 -0.47 -0.21 0.00 0.77 0.00 0.00 66.41 66.44 1t8c h THR 56 Cb 1.44 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1t8c h THR 56 CO 0.16 0.23 -0.84 0.11 0.37 0.00 0.00 175.52 175.55 1t8c h LYS 57 N 1.17 0.42 -0.03 6.66 1.79 -0.58 -3.04 116.57 122.97 1t8c h LYS 57 Ca 0.31 -0.40 -0.09 0.00 -2.18 0.00 0.00 60.65 58.29 1t8c h LYS 57 Cb -0.08 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 1t8c h LYS 57 CO -0.06 1.05 -0.39 1.25 -1.08 0.00 0.00 179.45 180.22 1t8c h HIS 58 N 0.26 0.06 -2.54 -1.35 2.76 0.12 -3.43 115.15 111.04 1t8c h HIS 58 Ca -0.06 -0.01 -0.54 0.00 -2.20 0.00 0.00 60.37 57.56 1t8c h HIS 58 Cb 1.45 -0.01 0.01 0.00 1.55 0.00 0.00 27.41 30.41 1t8c h HIS 58 CO 0.05 0.44 1.12 0.00 -1.30 0.00 0.00 177.93 178.24 1t8c s ALA 59 N -4.16 3.64 0.14 5.26 0.00 0.26 -4.90 121.76 122.01 1t8c s ALA 59 Ca -0.03 1.20 -0.16 0.00 0.00 0.00 0.00 51.96 52.97 1t8c s ALA 59 Cb 0.14 -3.77 0.01 0.00 0.00 0.00 0.00 23.12 19.50 1t8c s ALA 59 CO 0.74 -1.37 1.74 0.66 0.00 0.00 0.00 175.76 177.54 1t8c h SER 60 N 9.49 0.52 -0.51 0.00 4.64 -1.87 -2.21 113.55 123.62 1t8c h SER 60 Ca -0.44 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 1t8c h SER 60 Cb 1.21 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1t8c h SER 60 CO 0.94 0.47 0.00 1.57 -0.87 0.00 0.00 176.83 178.94 1t8c n HIS 61 N -4.71 0.96 -3.60 4.77 -0.00 -1.26 -4.93 115.22 106.45 1t8c n HIS 61 Ca 0.00 -0.41 -0.20 0.00 -0.00 0.00 0.00 57.72 57.11 1t8c n HIS 61 Cb 0.09 -0.12 0.05 0.00 -0.00 0.00 0.00 29.99 30.01 1t8c n HIS 61 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 1t8c n THR 62 N 0.90 -5.19 -3.18 3.57 -1.04 -0.83 -4.94 114.28 103.56 1t8c n THR 62 Ca 0.19 -0.56 0.02 0.00 -2.04 0.00 0.00 64.05 61.66 1t8c n THR 62 Cb 0.60 -4.29 -0.02 0.00 -1.82 0.00 0.00 70.33 64.80 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 -4.29 -0.95 0.31 3.41 0.00 -1.23 -3.62 107.32 100.95 1t8c s GLY 63 Ca 0.04 1.49 0.10 0.00 0.00 0.00 0.00 44.72 46.35 1t8c s GLY 63 CO 0.79 3.32 -0.13 -1.35 0.00 0.00 0.00 173.10 175.73 1t8c s SER 64 N 2.80 3.50 -0.14 1.64 1.04 -1.25 -2.09 113.70 119.19 1t8c s SER 64 Ca 0.17 -1.13 -0.04 0.00 0.48 0.00 0.00 55.95 55.43 1t8c s SER 64 Cb -0.14 -0.30 -0.03 0.00 0.10 0.00 0.00 66.02 65.65 1t8c s SER 64 CO -0.22 -0.13 -0.01 0.26 0.98 0.00 0.00 173.24 174.12 1t8c s TRP 65 N -2.64 3.11 0.35 5.02 0.51 -1.20 -3.53 118.94 120.55 1t8c s TRP 65 Ca 0.31 -0.09 0.08 0.00 -2.12 0.00 0.00 56.10 54.28 1t8c s TRP 65 Cb -0.00 -1.94 -0.04 0.00 -0.81 0.00 0.00 33.47 30.68 1t8c s TRP 65 CO 0.15 0.14 0.16 0.96 -0.51 0.00 0.00 176.95 177.85 1t8c s ILE 66 N 0.03 2.93 -0.59 2.03 -4.36 -1.26 -4.31 121.20 115.67 1t8c s ILE 66 Ca 0.02 -1.67 -0.07 0.00 -0.26 0.00 0.00 60.65 58.68 1t8c s ILE 66 Cb -0.13 -2.99 -0.17 0.00 1.25 0.00 0.00 42.46 40.42 1t8c s ILE 66 CO 0.02 -0.15 3.06 0.61 0.24 0.00 0.00 174.94 178.72 1t8c n GLY 67 N -1.19 3.26 3.05 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 0.06 1.68 -0.05 0.99 0.20 -1.26 -1.48 118.68 118.83 1t8c s LEU 68 Ca 0.60 -0.38 -0.01 0.00 0.69 0.00 0.00 54.13 55.03 1t8c s LEU 68 Cb 0.23 -1.00 0.03 0.00 -0.43 0.00 0.00 46.19 45.02 1t8c s LEU 68 CO -0.02 0.02 0.03 -0.60 -0.29 0.00 0.00 176.35 175.49 1t8c s ARG 69 N 0.88 0.22 0.39 1.98 3.00 0.12 -3.56 118.95 121.99 1t8c s ARG 69 Ca -0.09 0.23 -0.13 0.00 -1.00 0.00 0.00 55.73 54.73 1t8c s ARG 69 Cb -0.15 -0.66 -0.08 0.00 0.00 0.00 0.00 34.95 34.06 1t8c s ARG 69 CO 0.01 -0.28 0.80 1.21 0.00 0.00 0.00 175.30 177.03 1t8c s ASN 70 N 1.88 6.65 0.00 -2.12 2.47 -0.15 -0.82 114.94 122.85 1t8c s ASN 70 Ca 0.02 1.27 0.00 0.00 0.42 0.00 0.00 52.86 54.57 1t8c s ASN 70 Cb -0.12 -2.38 0.00 0.00 -1.45 0.00 0.00 41.25 37.30 1t8c s ASN 70 CO -0.04 -0.35 0.03 0.18 -3.72 0.00 0.00 177.10 173.20 1t8c n LEU 71 N -0.97 0.00 -3.51 3.21 4.77 -0.98 -4.60 117.00 114.92 1t8c n LEU 71 Ca 0.04 0.03 -0.29 0.00 -0.03 0.00 0.00 56.01 55.75 1t8c n LEU 71 Cb 0.54 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.49 1t8c n LEU 71 CO 0.45 0.00 -0.32 -0.62 -1.33 0.00 0.00 177.39 175.56 1t8c s ASP 72 N -2.20 3.27 0.22 -1.43 2.15 -1.26 -4.93 116.67 112.49 1t8c s ASP 72 Ca 0.00 -1.78 0.00 0.00 0.43 0.00 0.00 52.55 51.20 1t8c s ASP 72 Cb 0.00 -0.41 0.00 0.00 -0.30 0.00 0.00 42.92 42.21 1t8c s ASP 72 CO 0.00 -0.37 0.00 0.18 -0.17 0.00 0.00 175.17 174.81 1t8c n LEU 73 N 4.59 0.00 0.00 -1.34 4.32 -0.03 -1.68 117.00 122.85 1t8c n LEU 73 Ca 0.03 0.00 0.03 0.00 -0.02 0.00 0.00 56.01 56.06 1t8c n LEU 73 Cb 0.39 0.00 0.20 0.00 -1.62 0.00 0.00 43.42 42.39 1t8c n LEU 73 CO 0.10 0.00 0.54 2.29 -1.22 0.00 0.00 177.39 179.10 1t8c n LYS 74 N 0.00 0.80 -0.21 3.23 2.85 -1.26 -0.80 118.16 122.77 1t8c n LYS 74 Ca 0.00 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.20 1t8c n LYS 74 Cb 0.00 -1.13 0.05 0.00 -0.65 0.00 0.00 35.03 33.30 1t8c n LYS 74 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1t8c n GLY 75 N 0.38 -2.42 3.81 2.58 0.00 -0.68 -5.03 105.19 103.84 1t8c n GLY 75 Ca 0.05 -1.47 -0.36 0.00 0.00 0.00 0.00 46.02 44.24 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 -3.48 3.80 -0.10 1.61 2.02 -1.26 -4.71 118.70 116.59 1t8c s GLU 76 Ca 0.14 -0.16 -0.30 0.00 0.02 0.00 0.00 54.97 54.67 1t8c s GLU 76 Cb -0.01 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 30.88 1t8c s GLU 76 CO 0.10 0.55 1.47 -0.59 0.02 0.00 0.00 175.26 176.82 1t8c s PHE 77 N -0.37 2.41 0.00 1.61 -0.71 -1.26 -2.31 117.98 117.34 1t8c s PHE 77 Ca 0.12 0.58 0.08 0.00 -1.04 0.00 0.00 56.93 56.67 1t8c s PHE 77 Cb -0.12 -3.73 -0.02 0.00 -1.21 0.00 0.00 43.02 37.95 1t8c s PHE 77 CO 0.01 -2.85 -0.24 0.42 -1.34 0.00 0.00 175.22 171.23 1t8c s ILE 78 N 3.68 1.90 0.51 -4.49 -1.09 0.00 -2.35 121.20 119.36 1t8c s ILE 78 Ca 0.65 -1.10 -0.19 0.00 -2.23 0.00 0.00 60.65 57.77 1t8c s ILE 78 Cb -0.28 -1.59 -0.07 0.00 -1.58 0.00 0.00 42.46 38.93 1t8c s ILE 78 CO 0.23 0.47 1.04 0.26 -1.23 0.00 0.00 174.94 175.71 1t8c s TRP 79 N -0.63 2.99 0.59 3.97 0.51 -0.08 0.15 118.94 126.45 1t8c s TRP 79 Ca 0.09 1.56 0.30 0.00 -2.12 0.00 0.00 56.10 55.93 1t8c s TRP 79 Cb -0.09 -3.05 1.79 0.00 -0.81 0.00 0.00 33.47 31.31 1t8c s TRP 79 CO -0.00 -0.91 2.22 -0.24 -0.51 0.00 0.00 176.95 177.51 1t8c h VAL 80 N 1.27 0.50 0.00 4.03 3.04 -1.58 0.24 116.25 123.76 1t8c h VAL 80 Ca -0.49 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 1t8c h VAL 80 Cb 1.22 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 1t8c h VAL 80 CO 0.59 0.00 0.00 -0.67 -1.01 0.00 0.00 177.57 176.48 1t8c n ASP 81 N -3.82 0.00 -0.56 3.17 2.03 -1.26 -4.87 116.55 111.24 1t8c n ASP 81 Ca -0.02 -0.75 0.00 0.00 0.52 0.00 0.00 54.79 54.54 1t8c n ASP 81 Cb 0.14 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 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 0.75 0.85 2.74 0.27 0.00 0.83 -5.08 105.19 105.56 1t8c n GLY 82 Ca 0.19 -0.58 -0.18 0.00 0.00 0.00 0.00 46.02 45.45 1t8c n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t8c s SER 83 N -2.89 0.93 0.51 1.61 0.01 -1.20 -4.93 113.70 107.73 1t8c s SER 83 Ca 0.00 0.18 -0.21 0.00 1.31 0.00 0.00 55.95 57.24 1t8c s SER 83 Cb 0.00 0.03 -0.09 0.00 0.21 0.00 0.00 66.02 66.17 1t8c s SER 83 CO 0.00 -0.24 0.80 0.00 0.41 0.00 0.00 173.24 174.21 1t8c n HIS 84 N 5.25 0.34 -1.82 2.43 1.44 -1.26 -0.90 115.22 120.70 1t8c n HIS 84 Ca -0.05 0.50 -0.35 0.00 -2.01 0.00 0.00 57.72 55.81 1t8c n HIS 84 Cb 0.50 -2.10 0.05 0.00 0.12 0.00 0.00 29.99 28.57 1t8c n HIS 84 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1t8c s VAL 85 N -1.49 2.58 0.00 0.61 1.01 -0.99 -4.76 120.40 117.36 1t8c s VAL 85 Ca 0.68 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.99 1t8c s VAL 85 Cb -0.50 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1t8c s VAL 85 CO 0.54 -0.11 0.00 0.47 0.00 0.00 0.00 175.10 176.00 1t8c n ASP 86 N -1.99 0.00 0.10 3.32 9.92 -1.26 -4.94 116.55 121.70 1t8c n ASP 86 Ca 0.13 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.29 1t8c n ASP 86 Cb 0.50 -0.02 -0.06 0.00 -0.64 0.00 0.00 41.12 40.90 1t8c n ASP 86 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 1t8c h TYR 87 N 0.00 -0.30 -3.81 1.24 0.05 -1.95 -3.50 116.97 108.70 1t8c h TYR 87 Ca 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1t8c h TYR 87 Cb 0.00 0.10 0.00 0.00 1.01 0.00 0.00 36.73 37.84 1t8c h TYR 87 CO 0.00 0.04 -0.94 -1.13 -1.05 0.00 0.00 178.16 175.08 1t8c n SER 88 N -5.00 -8.79 0.03 3.88 3.41 -1.26 -4.89 113.62 100.99 1t8c n SER 88 Ca -0.07 1.36 -0.22 0.00 -0.26 0.00 0.00 58.87 59.67 1t8c n SER 88 Cb 0.24 -4.99 -0.14 0.00 -0.26 0.00 0.00 64.21 59.06 1t8c n SER 88 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1t8c h ASN 89 N 1.51 0.49 -2.98 4.04 -0.73 -1.94 -3.49 115.58 112.47 1t8c h ASN 89 Ca 0.00 -0.95 -0.06 0.00 1.87 0.00 0.00 56.30 57.16 1t8c h ASN 89 Cb 0.12 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.55 1t8c h ASN 89 CO 0.00 1.84 -0.33 0.79 -0.37 0.00 0.00 177.43 179.35 1t8c n TRP 90 N -3.52 -0.39 -1.68 0.67 7.02 -1.25 -4.68 117.44 113.61 1t8c n TRP 90 Ca -0.29 0.16 -0.46 0.00 -1.02 0.00 0.00 57.50 55.89 1t8c n TRP 90 Cb 1.06 -0.41 -0.04 0.00 -2.42 0.00 0.00 31.31 29.50 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 0.36 1.29 1.75 6.99 0.00 0.19 -4.86 120.51 126.24 1t8c n ALA 91 Ca -0.01 0.32 0.14 0.00 0.00 0.00 0.00 53.44 53.89 1t8c n ALA 91 Cb 0.18 -2.50 0.72 0.00 0.00 0.00 0.00 19.45 17.85 1t8c n ALA 91 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1t8c n PRO 92 N 5.74 1.32 -0.04 0.00 -0.04 -1.26 -3.68 135.00 137.04 1t8c n PRO 92 Ca 0.20 -0.46 0.09 0.00 -0.04 0.00 0.00 63.50 63.29 1t8c n PRO 92 Cb 0.32 -1.47 0.44 0.00 -0.04 0.00 0.00 33.50 32.74 1t8c n PRO 92 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1t8c n GLY 93 N 1.07 -0.36 2.69 0.55 0.00 -1.26 -4.39 105.19 103.49 1t8c n GLY 93 Ca 0.21 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.23 0.54 -2.18 1.61 2.13 -1.24 -5.10 120.64 116.18 1t8c n GLU 94 Ca 0.14 -2.17 -0.37 0.00 0.66 0.00 0.00 57.16 55.43 1t8c n GLU 94 Cb 0.19 -1.49 -0.03 0.00 0.27 0.00 0.00 31.44 30.38 1t8c n GLU 94 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1t8c s PRO 95 N 0.66 2.79 1.97 5.31 0.04 -1.26 -4.85 135.00 139.66 1t8c s PRO 95 Ca 0.31 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.51 1t8c s PRO 95 Cb 0.05 -4.53 0.00 0.00 0.04 0.00 0.00 34.50 30.06 1t8c s PRO 95 CO -0.11 -2.70 0.00 2.41 0.04 0.00 0.00 177.00 176.64 1t8c n THR 96 N 7.15 0.00 0.17 1.26 -1.04 -1.26 -4.95 114.28 115.60 1t8c n THR 96 Ca 0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 1t8c n THR 96 Cb 0.50 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 1t8c n THR 96 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1t8c n SER 97 N -3.19 -2.07 0.12 8.00 2.88 -1.26 -5.07 113.62 113.03 1t8c n SER 97 Ca 0.00 0.62 0.00 0.00 -1.33 0.00 0.00 58.87 58.16 1t8c n SER 97 Cb 0.00 2.05 0.00 0.00 -0.75 0.00 0.00 64.21 65.51 1t8c n SER 97 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1t8c n ARG 98 N -3.33 0.00 -0.76 -1.46 1.74 -1.26 -5.00 116.66 106.60 1t8c n ARG 98 Ca 0.00 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.06 1t8c n ARG 98 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.42 1t8c n ARG 98 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1t8c n SER 99 N -3.01 -0.28 -4.56 0.55 3.41 -1.26 -5.07 113.62 103.41 1t8c n SER 99 Ca 0.00 -1.54 -0.33 0.00 -0.26 0.00 0.00 58.87 56.74 1t8c n SER 99 Cb 0.00 0.06 -0.04 0.00 -0.26 0.00 0.00 64.21 63.97 1t8c n SER 99 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1t8c s GLN 100 N 0.00 2.85 0.52 4.33 2.00 -1.26 -4.97 119.66 123.13 1t8c s GLN 100 Ca 0.03 -0.30 -0.20 0.00 -2.00 0.00 0.00 55.36 52.89 1t8c s GLN 100 Cb 0.03 -4.93 -0.06 0.00 0.80 0.00 0.00 33.01 28.85 1t8c s GLN 100 CO -0.01 -2.90 1.15 0.20 -0.50 0.00 0.00 175.29 173.23 1t8c s GLY 101 N 7.02 2.69 0.03 2.59 0.00 -1.26 -4.41 107.32 113.97 1t8c s GLY 101 Ca 0.61 0.87 -0.30 0.00 0.00 0.00 0.00 44.72 45.90 1t8c s GLY 101 CO 0.03 1.26 1.18 -0.54 0.00 0.00 0.00 173.10 175.02 1t8c s GLU 102 N -3.11 4.43 0.00 2.90 2.02 0.02 0.68 118.70 125.64 1t8c s GLU 102 Ca 0.70 1.71 0.00 0.00 0.02 0.00 0.00 54.97 57.40 1t8c s GLU 102 Cb -0.26 -3.41 0.00 0.00 0.10 0.00 0.00 34.13 30.57 1t8c s GLU 102 CO 0.30 -0.27 0.00 -3.47 0.02 0.00 0.00 175.26 171.83 1t8c n ASP 103 N 4.20 0.00 -3.82 -0.19 2.03 -1.26 -0.85 116.55 116.66 1t8c n ASP 103 Ca 0.09 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.28 1t8c n ASP 103 Cb 0.47 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.76 1t8c n ASP 103 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1t8c s VAL 105 N -0.53 3.94 0.34 0.00 1.01 -1.23 -2.50 120.40 121.42 1t8c s VAL 105 Ca -0.06 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.64 1t8c s VAL 105 Cb -0.04 -2.75 -0.07 0.00 0.00 0.00 0.00 36.38 33.52 1t8c s VAL 105 CO 0.01 0.46 0.02 0.00 0.00 0.00 0.00 175.10 175.59 1t8c s MET 106 N 0.67 1.73 -0.09 2.72 0.23 -1.05 -4.14 119.30 119.36 1t8c s MET 106 Ca -0.01 -1.95 0.04 0.00 -1.03 0.00 0.00 55.69 52.74 1t8c s MET 106 Cb -0.14 -1.17 0.00 0.00 -1.53 0.00 0.00 34.83 31.99 1t8c s MET 106 CO 0.02 -0.09 -0.21 0.00 -2.03 0.00 0.00 175.02 172.71 1t8c s MET 107 N -3.80 2.73 0.00 3.16 0.23 -1.23 0.45 119.30 120.85 1t8c s MET 107 Ca 0.35 -0.77 0.00 0.00 -1.03 0.00 0.00 55.69 54.24 1t8c s MET 107 Cb 0.08 -2.09 0.00 0.00 -1.53 0.00 0.00 34.83 31.29 1t8c s MET 107 CO 0.16 0.14 0.00 -2.13 -2.03 0.00 0.00 175.02 171.16 1t8c n ARG 108 N 3.59 0.00 0.00 3.16 0.00 -1.13 -3.55 116.66 118.72 1t8c n ARG 108 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.65 1t8c n ARG 108 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.99 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 -2.79 2.70 5.14 0.00 -1.26 -4.52 105.19 104.46 1t8c n GLY 109 Ca 0.00 0.26 -0.06 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.27 -0.21 0.00 1.61 7.64 -1.26 -4.93 113.62 114.20 1t8c n SER 110 Ca 0.00 -2.45 0.00 0.00 1.01 0.00 0.00 58.87 57.43 1t8c n SER 110 Cb 0.00 0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 1t8c n SER 110 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t8c n GLY 111 N -0.55 1.25 0.00 0.23 0.00 -1.26 -5.01 105.19 99.85 1t8c n GLY 111 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1t8c n GLY 111 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1t8c n ARG 112 N -2.00 3.81 -4.10 1.61 1.85 -1.26 -4.64 116.66 111.93 1t8c n ARG 112 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.63 1t8c n ARG 112 Cb 0.00 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.36 1t8c n ARG 112 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1t8c s TRP 113 N 1.91 2.87 -0.08 2.89 0.51 -1.26 -2.86 118.94 122.91 1t8c s TRP 113 Ca 0.00 -0.24 -0.01 0.00 -2.12 0.00 0.00 56.10 53.73 1t8c s TRP 113 Cb 0.00 -1.48 0.03 0.00 -0.81 0.00 0.00 33.47 31.20 1t8c s TRP 113 CO 0.00 0.44 -0.02 -0.80 -0.51 0.00 0.00 176.95 176.06 1t8c s ASN 114 N -3.83 1.77 -0.57 2.95 -0.87 0.17 0.58 114.94 115.13 1t8c s ASN 114 Ca 0.35 -0.16 -0.23 0.00 -1.57 0.00 0.00 52.86 51.25 1t8c s ASN 114 Cb -0.06 -0.55 0.05 0.00 -0.02 0.00 0.00 41.25 40.67 1t8c s ASN 114 CO 0.23 -0.18 0.92 -0.62 -2.57 0.00 0.00 177.10 174.89 1t8c s ASP 115 N 1.90 6.28 0.16 -1.22 -1.08 -1.26 -2.51 116.67 118.94 1t8c s ASP 115 Ca 0.05 -0.57 -0.20 0.00 -0.52 0.00 0.00 52.55 51.31 1t8c s ASP 115 Cb -0.12 -2.42 0.05 0.00 -1.46 0.00 0.00 42.92 38.97 1t8c s ASP 115 CO -0.06 -1.25 0.53 0.00 0.52 0.00 0.00 175.17 174.91 1t8c s ALA 116 N 3.86 -1.24 0.97 3.66 0.00 -1.04 -4.71 121.76 123.26 1t8c s ALA 116 Ca 0.27 0.14 -0.14 0.00 0.00 0.00 0.00 51.96 52.22 1t8c s ALA 116 Cb -0.14 0.82 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 1t8c s ALA 116 CO 0.16 -0.75 0.01 0.34 0.00 0.00 0.00 175.76 175.52 1t8c n PHE 117 N -0.33 -2.48 -1.51 0.00 -0.00 0.21 -3.04 117.46 110.31 1t8c n PHE 117 Ca -0.15 0.16 -0.41 0.00 -0.00 0.00 0.00 57.45 57.05 1t8c n PHE 117 Cb 0.64 -1.67 -0.04 0.00 -0.00 0.00 0.00 39.48 38.41 1t8c n PHE 117 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1t8c n ASP 119 N 7.84 3.07 -4.80 0.00 5.68 -1.26 -5.01 116.55 122.06 1t8c n ASP 119 Ca 0.50 -0.01 -0.35 0.00 -0.50 0.00 0.00 54.79 54.43 1t8c n ASP 119 Cb 0.41 0.51 -0.04 0.00 -1.14 0.00 0.00 41.12 40.86 1t8c n ASP 119 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 1t8c s ARG 120 N -2.20 4.00 -0.31 0.11 6.06 -1.26 -5.04 118.95 120.31 1t8c s ARG 120 Ca -0.06 1.36 -0.02 0.00 -2.50 0.00 0.00 55.73 54.51 1t8c s ARG 120 Cb 0.03 -2.25 0.06 0.00 0.06 0.00 0.00 34.95 32.84 1t8c s ARG 120 CO 0.31 -0.26 0.02 0.21 -2.50 0.00 0.00 175.30 173.08 1t8c s LYS 121 N -2.99 2.39 0.00 5.12 2.20 -1.26 -4.92 119.74 120.27 1t8c s LYS 121 Ca 0.63 -1.32 0.00 0.00 -0.36 0.00 0.00 55.97 54.92 1t8c s LYS 121 Cb -0.17 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 1t8c s LYS 121 CO 0.21 -0.67 0.00 1.28 -0.36 0.00 0.00 175.35 175.81 1t8c n LEU 122 N 4.63 0.00 -1.03 5.43 4.32 -1.26 -4.95 117.00 124.14 1t8c n LEU 122 Ca -0.12 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 55.81 1t8c n LEU 122 Cb 0.43 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.17 1t8c n LEU 122 CO 0.27 -0.18 0.33 0.61 -1.22 0.00 0.00 177.39 177.20 1t8c n GLY 123 N 5.00 0.54 2.91 -0.72 0.00 -1.22 -3.94 105.19 107.76 1t8c n GLY 123 Ca 0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.23 -0.51 4.61 0.00 -0.89 -1.42 121.76 123.31 1t8c s ALA 124 Ca 0.02 0.64 -0.15 0.00 0.00 0.00 0.00 51.96 52.48 1t8c s ALA 124 Cb 0.03 -0.43 0.11 0.00 0.00 0.00 0.00 23.12 22.82 1t8c s ALA 124 CO -0.01 -0.15 0.45 -1.58 0.00 0.00 0.00 175.76 174.47 1t8c s TRP 125 N 1.15 3.27 -0.14 0.00 0.52 -0.61 -3.27 118.94 119.86 1t8c s TRP 125 Ca -0.09 -1.25 -0.01 0.00 0.02 0.00 0.00 56.10 54.77 1t8c s TRP 125 Cb -0.12 -3.59 -0.02 0.00 -1.15 0.00 0.00 33.47 28.60 1t8c s TRP 125 CO -0.06 -0.95 -0.10 0.08 0.02 0.00 0.00 176.95 175.94 1t8c s VAL 126 N 1.59 3.29 0.17 4.03 1.01 -1.26 -0.05 120.40 129.19 1t8c s VAL 126 Ca 0.03 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1t8c s VAL 126 Cb -0.28 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1t8c s VAL 126 CO 0.04 0.52 0.06 0.00 0.00 0.00 0.00 175.10 175.71 1t8c s ASP 128 N -3.14 2.21 0.08 0.00 -4.77 0.17 0.92 116.67 112.14 1t8c s ASP 128 Ca 0.29 -0.44 -0.23 0.00 -3.30 0.00 0.00 52.55 48.87 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 0.06 0.16 0.56 -0.60 0.70 0.00 0.00 175.17 176.05 1t8c s ARG 129 N -0.89 1.13 0.17 2.11 3.52 0.21 0.12 118.95 125.32 1t8c s ARG 129 Ca 0.06 -0.30 -0.30 0.00 -0.13 0.00 0.00 55.73 55.06 1t8c s ARG 129 Cb -0.08 0.52 -0.09 0.00 -1.56 0.00 0.00 34.95 33.74 1t8c s ARG 129 CO 0.01 -0.44 1.35 -0.51 -0.81 0.00 0.00 175.30 174.90 1t8c s LEU 130 N -2.23 4.40 -0.86 -0.88 2.01 -1.26 0.12 118.68 119.97 1t8c s LEU 130 Ca -0.03 2.39 -0.24 0.00 0.01 0.00 0.00 54.13 56.26 1t8c s LEU 130 Cb -0.00 -3.60 -0.18 0.00 0.01 0.00 0.00 46.19 42.42 1t8c s LEU 130 CO -0.05 -0.58 2.29 0.00 1.01 0.00 0.00 176.35 179.01 1t8c n ALA 131 N 3.07 0.35 -3.79 4.21 0.00 -1.23 -4.76 120.51 118.36 1t8c n ALA 131 Ca 0.08 -1.55 -0.28 0.00 0.00 0.00 0.00 53.44 51.68 1t8c n ALA 131 Cb 0.42 -3.17 -0.16 0.00 0.00 0.00 0.00 19.45 16.55 1t8c n ALA 131 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1t8c s THR 132 N 14.13 0.82 -1.51 0.00 -4.23 -1.26 -3.55 115.64 120.04 1t8c s THR 132 Ca 0.91 -0.76 0.29 0.00 -1.18 0.00 0.00 61.69 60.95 1t8c s THR 132 Cb -0.16 -1.26 0.44 0.00 1.34 0.00 0.00 72.50 72.86 1t8c s THR 132 CO 0.14 -0.18 1.90 0.00 -0.54 0.00 0.00 174.62 175.94 1t8c n THR 134 N -1.12 1.13 -2.06 0.00 -2.24 -1.26 -5.11 114.28 103.62 1t8c n THR 134 Ca 0.13 -4.70 -0.33 0.00 -2.27 0.00 0.00 64.05 56.89 1t8c n THR 134 Cb 0.27 -2.04 0.01 0.00 -2.10 0.00 0.00 70.33 66.48 1t8c n THR 134 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1t8c s PRO 135 N -1.78 3.31 -0.98 -0.78 0.04 -1.26 -4.92 135.00 128.63 1t8c s PRO 135 Ca 0.36 1.24 -0.24 0.00 0.04 0.00 0.00 61.00 62.40 1t8c s PRO 135 Cb 0.12 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.56 1t8c s PRO 135 CO -0.08 -0.82 1.98 -1.25 0.04 0.00 0.00 177.00 176.87 1t8c s PRO 136 N -4.00 2.44 0.07 0.56 0.04 -1.26 -4.69 135.00 128.16 1t8c s PRO 136 Ca 0.64 -0.49 0.24 0.00 0.04 0.00 0.00 61.00 61.43 1t8c s PRO 136 Cb -0.17 -5.09 0.24 0.00 0.04 0.00 0.00 34.50 29.52 1t8c s PRO 136 CO 0.36 -3.67 1.21 0.00 0.04 0.00 0.00 177.00 174.94 1t8c n ALA 137 N 14.54 3.21 -2.14 8.56 0.00 -1.26 -4.90 120.51 138.52 1t8c n ALA 137 Ca 0.42 -0.33 -0.42 0.00 0.00 0.00 0.00 53.44 53.12 1t8c n ALA 137 Cb 0.47 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 1t8c n ALA 137 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1t8c s SER 138 N -3.94 6.95 0.00 0.00 0.01 -1.26 -4.91 113.70 110.55 1t8c s SER 138 Ca 0.06 2.27 0.21 0.00 1.31 0.00 0.00 55.95 59.80 1t8c s SER 138 Cb 0.14 -2.60 0.77 0.00 0.21 0.00 0.00 66.02 64.55 1t8c s SER 138 CO 0.75 -0.52 1.56 1.21 0.41 0.00 0.00 173.24 176.65 1t8c n GLU 139 N 3.22 1.70 -2.14 12.44 2.13 -1.26 -4.82 120.64 131.92 1t8c n GLU 139 Ca 0.08 -1.05 -0.36 0.00 0.66 0.00 0.00 57.16 56.49 1t8c n GLU 139 Cb 0.44 -1.39 -0.03 0.00 0.27 0.00 0.00 31.44 30.72 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 -1.58 0.34 -0.29 8.31 0.00 -1.26 -4.87 107.32 107.98 1t8c s GLY 140 Ca 0.32 -1.03 0.03 0.00 0.00 0.00 0.00 44.72 44.04 1t8c s GLY 140 CO 0.26 3.29 0.52 -0.45 0.00 0.00 0.00 173.10 176.72 1t8c s SER 141 N 7.34 -0.79 0.86 1.64 0.15 -1.26 -5.14 113.70 116.50 1t8c s SER 141 Ca 0.62 0.14 0.00 0.00 0.70 0.00 0.00 55.95 57.41 1t8c s SER 141 Cb -0.10 1.68 0.00 0.00 -1.71 0.00 0.00 66.02 65.89 1t8c s SER 141 CO 0.13 -0.31 0.00 0.00 1.20 0.00 0.00 173.24 174.26 1t8c n ALA 142 N 5.40 0.00 1.55 5.45 0.00 -1.26 -5.30 120.51 126.34 1t8c n ALA 142 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.58 1t8c n ALA 142 Cb 0.52 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.70 1t8c n ALA 142 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59