#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 8i1b s LEU 6 N 0.00 4.40 -0.11 1.08 1.43 0.14 -4.87 118.68 120.75 8i1b s LEU 6 Ca 0.00 0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 53.64 8i1b s LEU 6 Cb 0.00 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 43.86 8i1b s LEU 6 CO 0.00 0.35 -0.02 -1.00 0.23 0.00 0.00 176.35 175.91 8i1b s HIS 7 N -1.12 3.08 0.15 0.29 3.76 -1.26 0.80 115.29 120.99 8i1b s HIS 7 Ca 0.20 0.02 -0.16 0.00 -0.15 0.00 0.00 55.06 54.97 8i1b s HIS 7 Cb -0.13 -1.83 0.03 0.00 1.11 0.00 0.00 32.58 31.76 8i1b s HIS 7 CO 0.09 0.29 0.44 0.71 -0.85 0.00 0.00 174.74 175.43 8i1b s TYR 8 N -0.48 -0.15 0.05 1.40 1.51 0.69 -2.27 117.35 118.10 8i1b s TYR 8 Ca 0.08 -0.17 0.06 0.00 -1.01 0.00 0.00 57.07 56.03 8i1b s TYR 8 Cb -0.12 0.30 -0.03 0.00 -0.11 0.00 0.00 41.96 41.99 8i1b s TYR 8 CO 0.02 -0.78 -0.14 1.03 -1.11 0.00 0.00 175.55 174.57 8i1b s ARG 9 N -3.83 2.19 0.08 -0.62 0.52 -0.86 -0.31 118.95 116.12 8i1b s ARG 9 Ca 0.06 -0.94 0.09 0.00 -0.52 0.00 0.00 55.73 54.42 8i1b s ARG 9 Cb 0.01 -2.29 -0.04 0.00 0.52 0.00 0.00 34.95 33.16 8i1b s ARG 9 CO -0.08 0.55 -0.21 -0.51 0.02 0.00 0.00 175.30 175.07 8i1b s LEU 10 N -1.62 2.54 0.00 2.53 1.43 -1.26 -2.22 118.68 120.07 8i1b s LEU 10 Ca 0.17 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 8i1b s LEU 10 Cb -0.11 -1.45 -0.00 0.00 0.03 0.00 0.00 46.19 44.66 8i1b s LEU 10 CO 0.08 0.22 -0.02 -0.13 0.23 0.00 0.00 176.35 176.72 8i1b s ARG 11 N -1.77 0.18 0.78 1.70 0.52 -1.13 -3.68 118.95 115.55 8i1b s ARG 11 Ca 0.15 -0.12 -0.11 0.00 -0.52 0.00 0.00 55.73 55.13 8i1b s ARG 11 Cb -0.10 -0.14 0.07 0.00 0.52 0.00 0.00 34.95 35.30 8i1b s ARG 11 CO 0.07 0.04 1.15 0.16 0.02 0.00 0.00 175.30 176.73 8i1b s ASP 12 N -0.18 4.64 0.51 0.23 1.47 -0.56 -0.64 116.67 122.14 8i1b s ASP 12 Ca -0.01 0.77 0.19 0.00 1.18 0.00 0.00 52.55 54.68 8i1b s ASP 12 Cb -0.02 -1.32 1.27 0.00 -0.34 0.00 0.00 42.92 42.51 8i1b s ASP 12 CO -0.00 -1.81 2.07 1.05 0.68 0.00 0.00 175.17 177.16 8i1b h GLU 13 N -0.95 0.07 -0.38 2.11 4.11 -1.47 0.99 114.58 119.05 8i1b h GLU 13 Ca -0.46 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 8i1b h GLU 13 Cb 1.32 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.55 8i1b h GLU 13 CO 0.65 0.05 0.00 1.04 0.07 0.00 0.00 179.01 180.82 8i1b n GLN 14 N -4.47 1.66 -1.88 1.06 1.13 -1.26 -4.91 117.38 108.71 8i1b n GLN 14 Ca 0.03 -0.82 -0.13 0.00 -1.94 0.00 0.00 57.00 54.13 8i1b n GLN 14 Cb 0.30 -1.31 -0.03 0.00 0.11 0.00 0.00 30.24 29.32 8i1b n GLN 14 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 8i1b n GLN 15 N 0.15 -1.02 -3.02 -1.09 1.13 0.34 -5.02 117.38 108.85 8i1b n GLN 15 Ca 0.08 0.79 -0.35 0.00 -1.94 0.00 0.00 57.00 55.58 8i1b n GLN 15 Cb 0.27 -4.97 -0.06 0.00 0.11 0.00 0.00 30.24 25.59 8i1b n GLN 15 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 8i1b s LYS 16 N -4.01 4.26 0.18 -1.09 1.02 -1.26 -4.68 119.74 114.17 8i1b s LYS 16 Ca 0.00 0.94 0.06 0.00 0.02 0.00 0.00 55.97 56.98 8i1b s LYS 16 Cb 0.00 -2.71 -0.04 0.00 -0.52 0.00 0.00 37.83 34.56 8i1b s LYS 16 CO 0.00 0.29 0.13 -1.12 -0.92 0.00 0.00 175.35 173.73 8i1b s SER 17 N -1.82 5.44 -0.14 2.83 0.01 0.49 -1.49 113.70 119.01 8i1b s SER 17 Ca 0.48 -0.18 -0.11 0.00 1.31 0.00 0.00 55.95 57.45 8i1b s SER 17 Cb -0.15 -1.39 -0.05 0.00 0.21 0.00 0.00 66.02 64.64 8i1b s SER 17 CO 0.20 0.05 0.21 -0.76 0.41 0.00 0.00 173.24 173.35 8i1b s LEU 18 N -3.22 4.30 0.11 2.44 1.02 -1.24 -0.66 118.68 121.42 8i1b s LEU 18 Ca 0.31 0.46 0.03 0.00 0.02 0.00 0.00 54.13 54.95 8i1b s LEU 18 Cb -0.10 -2.22 -0.04 0.00 0.02 0.00 0.00 46.19 43.85 8i1b s LEU 18 CO 0.23 0.23 -0.09 0.68 0.02 0.00 0.00 176.35 177.43 8i1b s VAL 19 N -0.15 0.89 -0.16 -1.59 -7.23 0.29 -1.26 120.40 111.19 8i1b s VAL 19 Ca 0.14 -1.81 -0.15 0.00 -1.81 0.00 0.00 61.98 58.35 8i1b s VAL 19 Cb -0.12 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.23 8i1b s VAL 19 CO 0.03 -0.70 0.36 -0.22 -0.31 0.00 0.00 175.10 174.26 8i1b s LEU 20 N -2.77 4.23 -0.09 1.32 2.96 -1.26 -1.16 118.68 121.91 8i1b s LEU 20 Ca 0.09 0.58 0.04 0.00 -0.22 0.00 0.00 54.13 54.63 8i1b s LEU 20 Cb 0.01 -2.49 -0.00 0.00 0.50 0.00 0.00 46.19 44.21 8i1b s LEU 20 CO -0.01 0.03 -0.24 -0.94 -1.32 0.00 0.00 176.35 173.87 8i1b s SER 21 N 0.65 3.04 0.00 3.68 1.04 0.35 -4.97 113.70 117.49 8i1b s SER 21 Ca 0.19 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.08 8i1b s SER 21 Cb -0.14 -1.27 0.00 0.00 0.10 0.00 0.00 66.02 64.71 8i1b s SER 21 CO 0.06 0.17 0.00 0.47 0.98 0.00 0.00 173.24 174.93 8i1b n ASP 22 N 3.41 0.00 -1.59 7.02 9.92 -1.26 -1.26 116.55 132.78 8i1b n ASP 22 Ca -0.19 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.07 8i1b n ASP 22 Cb 0.53 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.01 8i1b n ASP 22 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 8i1b n PRO 23 N -0.67 0.51 -3.58 -0.24 -0.04 -1.26 -4.68 135.00 125.04 8i1b n PRO 23 Ca 0.00 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 8i1b n PRO 23 Cb 0.00 -1.24 0.07 0.00 -0.04 0.00 0.00 33.50 32.29 8i1b n PRO 23 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 8i1b n TYR 24 N 1.53 -2.42 -4.48 0.54 4.01 -0.95 -4.99 117.16 110.40 8i1b n TYR 24 Ca 0.00 0.95 -0.20 0.00 -0.16 0.00 0.00 57.90 58.49 8i1b n TYR 24 Cb 0.26 -4.87 -0.15 0.00 -0.31 0.00 0.00 39.34 34.27 8i1b n TYR 24 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 8i1b s GLU 25 N -5.92 0.95 -0.11 -0.72 2.12 -0.39 -4.55 118.70 110.07 8i1b s GLU 25 Ca 0.28 -0.50 -0.05 0.00 0.36 0.00 0.00 54.97 55.07 8i1b s GLU 25 Cb -0.13 -0.92 -0.04 0.00 0.26 0.00 0.00 34.13 33.31 8i1b s GLU 25 CO 0.75 0.25 0.08 -0.51 -0.54 0.00 0.00 175.26 175.28 8i1b s LEU 26 N -0.48 4.02 0.11 2.70 1.43 -1.26 0.13 118.68 125.33 8i1b s LEU 26 Ca 0.04 0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.48 8i1b s LEU 26 Cb -0.05 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 8i1b s LEU 26 CO -0.00 0.39 -0.09 -0.54 0.23 0.00 0.00 176.35 176.34 8i1b s LYS 27 N -0.91 0.88 -0.10 1.70 1.02 -0.31 -1.42 119.74 120.60 8i1b s LYS 27 Ca 0.14 -1.26 0.04 0.00 0.02 0.00 0.00 55.97 54.90 8i1b s LYS 27 Cb -0.12 -0.44 -0.00 0.00 -0.52 0.00 0.00 37.83 36.75 8i1b s LYS 27 CO 0.03 0.05 -0.23 0.00 -0.92 0.00 0.00 175.35 174.28 8i1b s ALA 28 N -2.97 2.20 0.16 5.17 0.00 -1.07 -0.55 121.76 124.70 8i1b s ALA 28 Ca 0.09 -0.97 -0.04 0.00 0.00 0.00 0.00 51.96 51.04 8i1b s ALA 28 Cb 0.01 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 8i1b s ALA 28 CO -0.01 0.27 0.17 -0.48 0.00 0.00 0.00 175.76 175.70 8i1b s LEU 29 N 0.36 1.32 -0.35 0.00 2.34 0.16 -2.48 118.68 120.03 8i1b s LEU 29 Ca -0.18 -1.12 -0.27 0.00 0.06 0.00 0.00 54.13 52.62 8i1b s LEU 29 Cb -0.18 0.68 0.02 0.00 -0.56 0.00 0.00 46.19 46.15 8i1b s LEU 29 CO 0.08 -0.83 1.00 -1.00 -1.06 0.00 0.00 176.35 174.54 8i1b s HIS 30 N -4.04 3.10 0.09 3.48 3.76 -1.26 -0.38 115.29 120.04 8i1b s HIS 30 Ca 0.24 0.96 0.09 0.00 -0.15 0.00 0.00 55.06 56.21 8i1b s HIS 30 Cb 0.06 -3.69 -0.03 0.00 1.11 0.00 0.00 32.58 30.02 8i1b s HIS 30 CO 0.03 -0.81 -0.23 -0.51 -0.85 0.00 0.00 174.74 172.37 8i1b s LEU 31 N 3.59 2.27 0.58 0.89 1.43 -1.26 -4.98 118.68 121.19 8i1b s LEU 31 Ca 0.42 -0.66 0.09 0.00 -1.03 0.00 0.00 54.13 52.95 8i1b s LEU 31 Cb -0.12 -1.02 0.09 0.00 0.03 0.00 0.00 46.19 45.16 8i1b s LEU 31 CO 0.18 0.13 0.76 0.54 0.23 0.00 0.00 176.35 178.18 8i1b s ASN 32 N -1.75 5.02 0.55 2.29 4.22 -1.26 -4.94 114.94 119.08 8i1b s ASN 32 Ca 0.09 -0.92 0.26 0.00 -2.14 0.00 0.00 52.86 50.16 8i1b s ASN 32 Cb -0.10 0.36 1.47 0.00 1.28 0.00 0.00 41.25 44.26 8i1b s ASN 32 CO 0.04 -1.35 2.01 1.23 -2.04 0.00 0.00 177.10 177.00 8i1b h GLY 33 N 0.22 0.00 1.27 0.45 0.00 -2.02 -2.08 103.07 100.91 8i1b h GLY 33 Ca -0.30 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.74 8i1b h GLY 33 CO 0.42 0.00 -1.19 1.46 0.00 0.00 0.00 176.54 177.23 8i1b h GLN 34 N 0.00 0.62 -1.60 4.80 4.20 -2.06 -3.34 115.11 117.73 8i1b h GLN 34 Ca 0.20 -0.78 -0.50 0.00 0.06 0.00 0.00 58.65 57.62 8i1b h GLN 34 Cb 0.87 0.25 -0.20 0.00 0.30 0.00 0.00 27.48 28.71 8i1b h GLN 34 CO -0.00 1.35 0.59 0.09 -0.67 0.00 0.00 178.83 180.18 8i1b n ASN 35 N -3.79 6.87 0.12 1.46 5.03 -0.78 -4.43 115.26 119.74 8i1b n ASN 35 Ca -0.13 -3.35 0.12 0.00 0.87 0.00 0.00 54.58 52.09 8i1b n ASN 35 Cb 0.96 -1.09 0.10 0.00 -1.02 0.00 0.00 39.78 38.73 8i1b n ASN 35 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 8i1b h ILE 36 N 1.39 0.00 -0.88 2.41 5.03 -1.69 -3.36 117.51 120.41 8i1b h ILE 36 Ca 0.42 -0.85 0.07 0.00 -0.12 0.00 0.00 64.86 64.37 8i1b h ILE 36 Cb 0.73 1.51 -0.06 0.00 -3.03 0.00 0.00 36.82 35.97 8i1b h ILE 36 CO 1.06 0.00 0.55 -0.55 -0.68 0.00 0.00 178.15 178.53 8i1b h ASN 37 N 0.00 0.86 0.96 1.72 7.08 -1.91 -3.05 115.58 121.25 8i1b h ASN 37 Ca 0.00 0.02 -0.02 0.00 -3.08 0.00 0.00 56.30 53.22 8i1b h ASN 37 Cb 0.93 -0.16 -0.00 0.00 -2.08 0.00 0.00 38.32 37.00 8i1b h ASN 37 CO 0.00 0.55 -0.08 1.56 -2.08 0.00 0.00 177.43 177.38 8i1b h GLN 38 N 0.99 0.00 -7.00 4.14 4.20 -1.95 -3.47 115.11 112.03 8i1b h GLN 38 Ca 0.39 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.55 8i1b h GLN 38 Cb 0.19 0.00 0.13 0.00 0.30 0.00 0.00 27.48 28.10 8i1b h GLN 38 CO -0.18 0.08 0.69 1.04 -0.67 0.00 0.00 178.83 179.79 8i1b n GLN 39 N -3.21 2.14 -2.41 1.46 6.02 -1.15 -4.50 117.38 115.72 8i1b n GLN 39 Ca 0.00 0.77 -0.41 0.00 -0.01 0.00 0.00 57.00 57.35 8i1b n GLN 39 Cb 0.34 -2.63 -0.03 0.00 1.02 0.00 0.00 30.24 28.94 8i1b n GLN 39 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 8i1b s VAL 40 N -1.21 3.71 -0.19 5.09 1.01 -0.39 -4.97 120.40 123.44 8i1b s VAL 40 Ca 0.63 1.41 -0.08 0.00 0.00 0.00 0.00 61.98 63.94 8i1b s VAL 40 Cb -0.44 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 8i1b s VAL 40 CO 0.56 0.21 0.09 -0.63 0.00 0.00 0.00 175.10 175.32 8i1b s ILE 41 N 0.08 4.98 0.07 2.22 1.01 -1.26 -4.49 121.20 123.81 8i1b s ILE 41 Ca 0.53 0.04 0.03 0.00 0.00 0.00 0.00 60.65 61.24 8i1b s ILE 41 Cb -0.31 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 8i1b s ILE 41 CO 0.35 0.45 0.07 -0.36 0.00 0.00 0.00 174.94 175.45 8i1b s PHE 42 N 0.43 3.18 -0.29 3.97 0.08 0.58 -1.00 117.98 124.92 8i1b s PHE 42 Ca 0.05 0.08 -0.05 0.00 0.12 0.00 0.00 56.93 57.12 8i1b s PHE 42 Cb -0.12 -1.62 0.02 0.00 -0.57 0.00 0.00 43.02 40.73 8i1b s PHE 42 CO -0.00 0.52 0.05 -1.12 -0.10 0.00 0.00 175.22 174.56 8i1b s SER 43 N -2.31 4.96 -0.08 1.36 0.01 -0.36 -0.22 113.70 117.06 8i1b s SER 43 Ca 0.28 -0.85 -0.04 0.00 1.31 0.00 0.00 55.95 56.65 8i1b s SER 43 Cb -0.12 -1.82 -0.04 0.00 0.21 0.00 0.00 66.02 64.25 8i1b s SER 43 CO 0.21 -0.20 0.12 -0.32 0.41 0.00 0.00 173.24 173.45 8i1b s MET 44 N 1.43 3.31 -0.08 12.44 1.75 0.24 -1.37 119.30 137.01 8i1b s MET 44 Ca 0.01 -0.26 -0.11 0.00 -1.25 0.00 0.00 55.69 54.08 8i1b s MET 44 Cb -0.18 -3.06 0.03 0.00 2.84 0.00 0.00 34.83 34.46 8i1b s MET 44 CO 0.01 0.73 0.28 -1.54 -0.65 0.00 0.00 175.02 173.85 8i1b s SER 45 N -1.26 -0.26 0.26 1.11 1.04 -1.08 -0.69 113.70 112.82 8i1b s SER 45 Ca 0.18 0.43 -0.29 0.00 0.48 0.00 0.00 55.95 56.75 8i1b s SER 45 Cb -0.12 0.51 -0.09 0.00 0.10 0.00 0.00 66.02 66.42 8i1b s SER 45 CO 0.08 -0.19 1.18 0.12 0.98 0.00 0.00 173.24 175.41 8i1b s PHE 46 N -0.24 3.41 -0.06 5.02 2.19 -1.26 -1.12 117.98 125.91 8i1b s PHE 46 Ca -0.04 1.53 0.05 0.00 0.33 0.00 0.00 56.93 58.81 8i1b s PHE 46 Cb -0.03 -3.43 -0.02 0.00 -1.31 0.00 0.00 43.02 38.24 8i1b s PHE 46 CO 0.01 -1.09 -0.21 0.08 1.83 0.00 0.00 175.22 175.84 8i1b s VAL 47 N -0.77 2.40 -0.05 3.12 1.01 -0.79 -4.79 120.40 120.53 8i1b s VAL 47 Ca 0.48 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 8i1b s VAL 47 Cb -0.34 -1.90 -0.07 0.00 0.00 0.00 0.00 36.38 34.06 8i1b s VAL 47 CO 0.42 0.57 2.03 -1.10 0.00 0.00 0.00 175.10 177.02 8i1b s GLN 48 N -0.31 3.83 0.00 2.72 -0.21 -0.44 -4.65 119.66 120.60 8i1b s GLN 48 Ca 0.01 2.41 0.00 0.00 0.02 0.00 0.00 55.36 57.80 8i1b s GLN 48 Cb -0.13 -4.22 0.00 0.00 1.00 0.00 0.00 33.01 29.66 8i1b s GLN 48 CO 0.02 -1.30 0.00 0.41 -2.12 0.00 0.00 175.29 172.30 8i1b n GLY 49 N 4.90 5.18 1.09 3.09 0.00 -1.26 -4.84 105.19 113.35 8i1b n GLY 49 Ca 0.23 -1.13 -0.08 0.00 0.00 0.00 0.00 46.02 45.04 8i1b n GLY 49 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 8i1b n GLU 50 N 0.00 0.53 0.00 1.61 0.00 -1.26 -5.07 120.64 116.45 8i1b n GLU 50 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 57.16 56.03 8i1b n GLU 50 Cb 0.00 0.74 0.00 0.00 0.00 0.00 0.00 31.44 32.18 8i1b n GLU 50 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 8i1b n PRO 51 N -0.27 0.00 0.00 3.44 -0.02 -1.26 -4.88 135.00 132.01 8i1b n PRO 51 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 8i1b n PRO 51 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.68 8i1b n PRO 51 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 8i1b n SER 52 N 0.00 -1.18 0.00 2.55 3.41 -1.26 -4.77 113.62 112.36 8i1b n SER 52 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 8i1b n SER 52 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 8i1b n SER 52 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 8i1b n ASN 53 N -1.78 0.00 -0.93 4.04 4.13 -1.26 -4.61 115.26 114.86 8i1b n ASN 53 Ca 0.00 0.00 -0.04 0.00 1.68 0.00 0.00 54.58 56.22 8i1b n ASN 53 Cb 0.00 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.25 8i1b n ASN 53 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 8i1b n ASP 54 N 0.00 -2.61 -4.11 6.41 8.00 -1.26 -5.00 116.55 117.98 8i1b n ASP 54 Ca 0.00 -0.08 -0.27 0.00 0.71 0.00 0.00 54.79 55.15 8i1b n ASP 54 Cb 0.00 -1.37 -0.17 0.00 -0.02 0.00 0.00 41.12 39.56 8i1b n ASP 54 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 8i1b s LYS 55 N -4.97 2.19 -0.18 -1.24 1.02 -1.26 -4.09 119.74 111.21 8i1b s LYS 55 Ca 0.08 -0.61 -0.02 0.00 0.02 0.00 0.00 55.97 55.44 8i1b s LYS 55 Cb -0.04 -1.75 -0.01 0.00 -0.52 0.00 0.00 37.83 35.52 8i1b s LYS 55 CO 0.10 0.12 -0.09 0.42 -0.92 0.00 0.00 175.35 174.98 8i1b s ILE 56 N 0.44 3.12 0.02 2.17 1.01 -0.66 -4.49 121.20 122.82 8i1b s ILE 56 Ca -0.14 -0.60 -0.30 0.00 0.00 0.00 0.00 60.65 59.61 8i1b s ILE 56 Cb -0.16 -2.37 -0.05 0.00 0.01 0.00 0.00 42.46 39.89 8i1b s ILE 56 CO 0.05 0.47 1.16 -2.16 0.00 0.00 0.00 174.94 174.47 8i1b s PRO 57 N 1.06 4.43 0.13 2.79 0.04 -1.26 -0.04 135.00 142.15 8i1b s PRO 57 Ca 0.00 1.69 -0.05 0.00 0.04 0.00 0.00 61.00 62.67 8i1b s PRO 57 Cb -0.15 -3.42 -0.02 0.00 0.04 0.00 0.00 34.50 30.96 8i1b s PRO 57 CO -0.02 -0.27 0.16 0.14 0.04 0.00 0.00 177.00 177.06 8i1b s VAL 58 N 1.33 0.11 0.09 -0.36 -7.23 0.44 -1.88 120.40 112.89 8i1b s VAL 58 Ca 0.57 -1.57 0.07 0.00 -1.81 0.00 0.00 61.98 59.24 8i1b s VAL 58 Cb -0.27 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.85 8i1b s VAL 58 CO 0.27 -0.50 -0.13 0.00 -0.31 0.00 0.00 175.10 174.44 8i1b s ALA 59 N -3.97 2.84 -0.21 1.32 0.00 -0.28 -0.99 121.76 120.48 8i1b s ALA 59 Ca 0.16 -1.25 0.02 0.00 0.00 0.00 0.00 51.96 50.89 8i1b s ALA 59 Cb 0.05 -0.83 0.04 0.00 0.00 0.00 0.00 23.12 22.38 8i1b s ALA 59 CO -0.03 0.62 -0.16 -0.51 0.00 0.00 0.00 175.76 175.68 8i1b s LEU 60 N -2.04 2.61 0.45 0.00 1.43 -1.26 -2.64 118.68 117.23 8i1b s LEU 60 Ca 0.19 -0.93 0.06 0.00 -1.03 0.00 0.00 54.13 52.43 8i1b s LEU 60 Cb -0.11 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 8i1b s LEU 60 CO 0.11 -0.07 0.20 -0.83 0.23 0.00 0.00 176.35 175.99 8i1b s GLY 61 N 1.23 2.42 -0.21 -3.19 0.00 -0.47 -1.65 107.32 105.46 8i1b s GLY 61 Ca -0.00 -1.75 -0.13 0.00 0.00 0.00 0.00 44.72 42.84 8i1b s GLY 61 CO -0.10 -1.95 0.28 1.08 0.00 0.00 0.00 173.10 172.41 8i1b s LEU 62 N -3.98 4.16 0.17 0.66 1.02 -0.04 -1.22 118.68 119.46 8i1b s LEU 62 Ca 0.36 0.36 -0.33 0.00 0.02 0.00 0.00 54.13 54.54 8i1b s LEU 62 Cb 0.02 -2.32 -0.15 0.00 0.02 0.00 0.00 46.19 43.76 8i1b s LEU 62 CO 0.20 0.02 1.25 1.17 0.02 0.00 0.00 176.35 179.02 8i1b n LYS 63 N 4.16 1.38 -0.98 1.70 4.81 -0.17 -1.00 118.16 128.05 8i1b n LYS 63 Ca -0.12 0.49 0.00 0.00 -0.87 0.00 0.00 58.31 57.82 8i1b n LYS 63 Cb 0.52 -2.05 0.00 0.00 0.02 0.00 0.00 35.03 33.51 8i1b n LYS 63 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 8i1b n GLY 64 N 2.18 0.37 3.18 3.14 0.00 -1.26 -5.00 105.19 107.79 8i1b n GLY 64 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 8i1b n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 8i1b s LYS 65 N -0.65 0.85 -0.52 1.61 1.02 -0.17 -5.03 119.74 116.84 8i1b s LYS 65 Ca 0.00 -1.23 -0.03 0.00 0.02 0.00 0.00 55.97 54.73 8i1b s LYS 65 Cb 0.00 -0.42 0.14 0.00 -0.52 0.00 0.00 37.83 37.03 8i1b s LYS 65 CO 0.00 0.05 2.55 0.27 -0.92 0.00 0.00 175.35 177.29 8i1b n ASN 66 N 0.31 6.70 -4.05 2.83 6.94 -1.26 -4.42 115.26 122.32 8i1b n ASN 66 Ca -0.14 -3.33 -0.29 0.00 -0.02 0.00 0.00 54.58 50.80 8i1b n ASN 66 Cb 0.59 -1.18 -0.17 0.00 -2.36 0.00 0.00 39.78 36.66 8i1b n ASN 66 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 8i1b s LEU 67 N -2.54 1.71 0.03 -4.53 1.43 -1.26 -2.45 118.68 111.06 8i1b s LEU 67 Ca 0.55 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 53.25 8i1b s LEU 67 Cb 0.39 -1.10 -0.02 0.00 0.03 0.00 0.00 46.19 45.48 8i1b s LEU 67 CO -0.23 0.00 -0.10 -0.31 0.23 0.00 0.00 176.35 175.94 8i1b s TYR 68 N 1.09 0.89 0.34 0.29 1.51 -0.49 -0.86 117.35 120.13 8i1b s TYR 68 Ca -0.04 -0.33 -0.29 0.00 -1.01 0.00 0.00 57.07 55.40 8i1b s TYR 68 Cb -0.14 -0.54 -0.10 0.00 -0.11 0.00 0.00 41.96 41.06 8i1b s TYR 68 CO -0.03 -0.01 1.35 -0.51 -1.11 0.00 0.00 175.55 175.23 8i1b s LEU 69 N -1.00 4.40 0.09 -1.29 1.43 -0.66 -0.22 118.68 121.44 8i1b s LEU 69 Ca -0.01 2.77 -0.05 0.00 -1.03 0.00 0.00 54.13 55.80 8i1b s LEU 69 Cb -0.07 -3.65 -0.02 0.00 0.03 0.00 0.00 46.19 42.47 8i1b s LEU 69 CO 0.01 -0.61 0.10 -0.55 0.23 0.00 0.00 176.35 175.53 8i1b s SER 70 N -0.40 0.28 -0.05 2.29 0.15 0.91 -4.46 113.70 112.42 8i1b s SER 70 Ca 0.50 -0.89 0.01 0.00 0.70 0.00 0.00 55.95 56.27 8i1b s SER 70 Cb -0.41 0.29 0.02 0.00 -1.71 0.00 0.00 66.02 64.21 8i1b s SER 70 CO 0.55 -0.70 -0.04 0.00 1.20 0.00 0.00 173.24 174.25 8i1b s VAL 72 N 1.11 0.16 -0.30 0.00 -7.23 -0.41 -4.73 120.40 108.99 8i1b s VAL 72 Ca -0.08 -1.42 -0.25 0.00 -1.81 0.00 0.00 61.98 58.41 8i1b s VAL 72 Cb -0.14 -1.46 0.01 0.00 0.56 0.00 0.00 36.38 35.34 8i1b s VAL 72 CO -0.01 -0.73 0.88 -0.04 -0.31 0.00 0.00 175.10 174.89 8i1b s MET 73 N -3.90 4.01 -0.03 4.82 -1.94 -1.26 0.02 119.30 121.02 8i1b s MET 73 Ca 0.07 0.76 -0.01 0.00 -1.71 0.00 0.00 55.69 54.81 8i1b s MET 73 Cb 0.06 -3.72 0.03 0.00 2.01 0.00 0.00 34.83 33.21 8i1b s MET 73 CO -0.09 -0.73 0.06 0.21 -0.01 0.00 0.00 175.02 174.46 8i1b s LYS 74 N 3.15 -0.02 -1.24 2.03 2.20 0.02 -4.81 119.74 121.06 8i1b s LYS 74 Ca 0.36 0.28 -0.06 0.00 -0.36 0.00 0.00 55.97 56.19 8i1b s LYS 74 Cb -0.14 -0.29 0.01 0.00 -1.51 0.00 0.00 37.83 35.90 8i1b s LYS 74 CO 0.13 -0.21 0.82 -0.25 -0.36 0.00 0.00 175.35 175.48 8i1b n ASP 75 N 4.48 -5.68 -2.45 1.43 9.92 -1.26 -2.19 116.55 120.80 8i1b n ASP 75 Ca -0.21 -0.37 -0.19 0.00 -0.53 0.00 0.00 54.79 53.48 8i1b n ASP 75 Cb 0.50 -4.39 -0.01 0.00 -0.64 0.00 0.00 41.12 36.59 8i1b n ASP 75 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 8i1b n GLY 76 N -1.65 -0.50 3.13 0.44 0.00 -1.26 -4.97 105.19 100.39 8i1b n GLY 76 Ca -0.04 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 8i1b n GLY 76 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 8i1b s THR 77 N -2.96 0.01 0.08 2.61 -1.32 -0.93 -5.13 115.64 108.01 8i1b s THR 77 Ca 0.02 -0.09 -0.31 0.00 -1.21 0.00 0.00 61.69 60.10 8i1b s THR 77 Cb -0.01 -0.37 -0.08 0.00 -1.51 0.00 0.00 72.50 70.53 8i1b s THR 77 CO 0.02 -0.05 1.60 -2.84 -2.21 0.00 0.00 174.62 171.14 8i1b s PRO 78 N -0.10 4.21 0.05 7.08 0.02 -1.26 -0.79 135.00 144.21 8i1b s PRO 78 Ca -0.02 2.29 0.06 0.00 0.02 0.00 0.00 61.00 63.35 8i1b s PRO 78 Cb -0.02 -3.49 -0.02 0.00 0.02 0.00 0.00 34.50 30.98 8i1b s PRO 78 CO 0.01 -0.68 -0.16 0.99 -0.33 0.00 0.00 177.00 176.82 8i1b s THR 79 N 2.25 1.30 -0.11 0.99 2.01 0.10 -4.68 115.64 117.49 8i1b s THR 79 Ca 0.72 -1.13 -0.09 0.00 0.31 0.00 0.00 61.69 61.49 8i1b s THR 79 Cb -0.40 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 8i1b s THR 79 CO 0.31 0.02 0.19 -0.22 -0.69 0.00 0.00 174.62 174.24 8i1b s LEU 80 N -1.29 4.37 0.28 4.42 2.96 -1.26 -1.29 118.68 126.88 8i1b s LEU 80 Ca 0.03 0.52 0.00 0.00 -0.22 0.00 0.00 54.13 54.47 8i1b s LEU 80 Cb -0.09 -2.18 -0.02 0.00 0.50 0.00 0.00 46.19 44.40 8i1b s LEU 80 CO 0.02 0.34 0.29 0.00 -1.32 0.00 0.00 176.35 175.69 8i1b s GLN 81 N -0.75 1.59 -0.27 1.98 -2.07 0.30 -4.88 119.66 115.55 8i1b s GLN 81 Ca 0.16 -1.76 -0.00 0.00 -1.82 0.00 0.00 55.36 51.94 8i1b s GLN 81 Cb -0.13 0.35 0.05 0.00 -1.09 0.00 0.00 33.01 32.19 8i1b s GLN 81 CO 0.05 -0.60 -0.05 -0.51 -1.32 0.00 0.00 175.29 172.86 8i1b s LEU 82 N -3.24 3.55 -0.06 2.60 1.43 -1.26 -0.06 118.68 121.65 8i1b s LEU 82 Ca 0.36 -1.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 8i1b s LEU 82 Cb 0.03 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 8i1b s LEU 82 CO 0.19 -0.20 -0.03 -0.70 0.23 0.00 0.00 176.35 175.84 8i1b s GLU 83 N 1.23 2.82 0.26 1.70 2.12 0.69 -4.88 118.70 122.65 8i1b s GLU 83 Ca -0.05 -0.52 -0.21 0.00 0.36 0.00 0.00 54.97 54.55 8i1b s GLU 83 Cb -0.19 -2.67 -0.09 0.00 0.26 0.00 0.00 34.13 31.45 8i1b s GLU 83 CO -0.03 0.67 0.79 -1.12 -0.54 0.00 0.00 175.26 175.03 8i1b s SER 84 N -1.01 7.12 0.10 -1.70 0.01 -1.26 -1.39 113.70 115.57 8i1b s SER 84 Ca 0.14 1.54 -0.05 0.00 1.31 0.00 0.00 55.95 58.89 8i1b s SER 84 Cb -0.11 -2.47 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 8i1b s SER 84 CO 0.04 -0.02 0.11 0.68 0.41 0.00 0.00 173.24 174.46 8i1b s VAL 85 N -1.60 0.14 -0.16 3.43 -7.23 -1.03 -4.99 120.40 108.98 8i1b s VAL 85 Ca 0.46 -1.56 -0.29 0.00 -1.81 0.00 0.00 61.98 58.78 8i1b s VAL 85 Cb -0.17 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.10 8i1b s VAL 85 CO 0.21 -0.65 1.71 -0.62 -0.31 0.00 0.00 175.10 175.44 8i1b s ASP 86 N -2.94 6.36 0.51 4.85 -1.08 -1.26 -4.84 116.67 118.27 8i1b s ASP 86 Ca 0.12 1.88 0.30 0.00 -0.52 0.00 0.00 52.55 54.33 8i1b s ASP 86 Cb 0.06 -2.53 1.62 0.00 -1.46 0.00 0.00 42.92 40.62 8i1b s ASP 86 CO -0.06 -1.23 1.90 1.55 0.52 0.00 0.00 175.17 177.85 8i1b h PRO 87 N 10.86 0.00 0.00 4.34 0.13 -1.93 -1.94 132.00 143.47 8i1b h PRO 87 Ca -0.37 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.59 8i1b h PRO 87 Cb 1.17 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 8i1b h PRO 87 CO 0.98 0.00 -1.24 0.87 -0.23 0.00 0.00 178.00 178.38 8i1b h LYS 88 N 0.00 0.00 0.00 0.86 1.57 -2.01 -3.38 116.57 113.61 8i1b h LYS 88 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 8i1b h LYS 88 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 8i1b h LYS 88 CO 0.00 0.39 -1.17 1.04 -0.57 0.00 0.00 179.45 179.14 8i1b n GLN 89 N -2.99 0.41 -4.44 3.15 6.02 -0.74 -4.97 117.38 113.81 8i1b n GLN 89 Ca -0.07 -0.01 -0.32 0.00 -0.01 0.00 0.00 57.00 56.59 8i1b n GLN 89 Cb 0.84 -1.63 -0.10 0.00 1.02 0.00 0.00 30.24 30.37 8i1b n GLN 89 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 8i1b s TYR 90 N -3.28 2.89 0.87 1.08 1.51 -1.14 -4.17 117.35 115.11 8i1b s TYR 90 Ca 0.01 -0.04 -0.13 0.00 -1.01 0.00 0.00 57.07 55.90 8i1b s TYR 90 Cb 0.13 -1.60 0.14 0.00 -0.11 0.00 0.00 41.96 40.52 8i1b s TYR 90 CO 0.82 0.38 1.23 -1.25 -1.11 0.00 0.00 175.55 175.61 8i1b s PRO 91 N -1.46 1.29 0.18 -1.71 0.04 -1.26 -4.86 135.00 127.23 8i1b s PRO 91 Ca 0.17 -0.27 -0.00 0.00 0.04 0.00 0.00 61.00 60.94 8i1b s PRO 91 Cb -0.11 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 8i1b s PRO 91 CO 0.08 -1.97 0.09 0.15 0.04 0.00 0.00 177.00 175.39 8i1b s LYS 92 N -5.68 1.13 0.02 4.56 1.02 -1.26 -5.08 119.74 114.46 8i1b s LYS 92 Ca 0.68 -1.58 -0.17 0.00 0.02 0.00 0.00 55.97 54.93 8i1b s LYS 92 Cb -0.07 0.15 -0.32 0.00 -0.52 0.00 0.00 37.83 37.07 8i1b s LYS 92 CO 0.50 -0.31 1.02 0.87 -0.92 0.00 0.00 175.35 176.51 8i1b h LYS 93 N 2.67 0.53 -3.78 1.68 1.57 -1.95 -3.38 116.57 113.92 8i1b h LYS 93 Ca -0.36 -0.81 -0.79 0.00 -1.87 0.00 0.00 60.65 56.83 8i1b h LYS 93 Cb 1.23 0.28 -0.26 0.00 0.08 0.00 0.00 32.23 33.56 8i1b h LYS 93 CO 0.57 1.37 0.38 0.15 -0.57 0.00 0.00 179.45 181.35 8i1b s LYS 94 N -2.74 3.95 0.31 3.15 3.01 -1.26 -1.33 119.74 124.83 8i1b s LYS 94 Ca -0.10 -2.85 -0.26 0.00 -1.01 0.00 0.00 55.97 51.75 8i1b s LYS 94 Cb 0.04 -4.55 -0.10 0.00 -1.01 0.00 0.00 37.83 32.21 8i1b s LYS 94 CO 0.92 -1.31 0.93 1.41 0.51 0.00 0.00 175.35 177.81 8i1b s MET 95 N -0.43 4.61 0.44 1.68 1.75 -1.26 -5.01 119.30 121.07 8i1b s MET 95 Ca 0.27 1.33 -0.25 0.00 -1.25 0.00 0.00 55.69 55.79 8i1b s MET 95 Cb -0.09 -2.87 -0.08 0.00 2.84 0.00 0.00 34.83 34.63 8i1b s MET 95 CO -0.08 0.32 1.33 -1.21 -0.65 0.00 0.00 175.02 174.73 8i1b s GLU 96 N -1.93 3.79 0.56 4.11 8.01 -1.26 -4.87 118.70 127.11 8i1b s GLU 96 Ca 0.49 2.20 0.36 0.00 0.01 0.00 0.00 54.97 58.02 8i1b s GLU 96 Cb -0.20 -2.65 1.49 0.00 -4.31 0.00 0.00 34.13 28.47 8i1b s GLU 96 CO 0.25 -0.66 1.72 -0.22 0.01 0.00 0.00 175.26 176.36 8i1b h LYS 97 N 2.40 0.00 0.00 1.61 1.63 -1.97 -1.57 116.57 118.67 8i1b h LYS 97 Ca -0.50 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.26 8i1b h LYS 97 Cb 1.26 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.88 8i1b h LYS 97 CO 0.61 0.00 -0.20 0.07 -3.45 0.00 0.00 179.45 176.48 8i1b h ARG 98 N 0.00 0.00 -0.02 1.90 0.11 -1.89 -2.90 114.38 111.58 8i1b h ARG 98 Ca 0.55 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.63 8i1b h ARG 98 Cb 2.41 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.49 8i1b h ARG 98 CO -0.01 0.20 -0.00 1.19 0.10 0.00 0.00 179.97 181.45 8i1b n PHE 99 N -3.38 0.00 -3.27 4.08 3.72 -0.59 -2.44 117.46 115.58 8i1b n PHE 99 Ca 0.00 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.01 8i1b n PHE 99 Cb 0.41 -0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.88 8i1b n PHE 99 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 8i1b s VAL 100 N -2.00 5.13 -0.04 -4.37 1.01 -1.09 -4.27 120.40 114.76 8i1b s VAL 100 Ca 0.35 0.93 0.06 0.00 0.00 0.00 0.00 61.98 63.32 8i1b s VAL 100 Cb 0.21 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 8i1b s VAL 100 CO 0.33 0.21 -0.23 -0.36 0.00 0.00 0.00 175.10 175.05 8i1b s PHE 101 N 1.41 2.13 -0.44 5.22 0.40 -0.16 -0.83 117.98 125.72 8i1b s PHE 101 Ca 0.24 -0.53 -0.20 0.00 -0.60 0.00 0.00 56.93 55.84 8i1b s PHE 101 Cb -0.15 -1.39 0.02 0.00 0.51 0.00 0.00 43.02 42.01 8i1b s PHE 101 CO 0.10 -0.13 0.61 -0.80 0.70 0.00 0.00 175.22 175.69 8i1b s ASN 102 N -0.29 6.30 -0.11 1.36 0.01 0.11 -0.42 114.94 121.90 8i1b s ASN 102 Ca 0.02 -0.41 -0.30 0.00 -0.71 0.00 0.00 52.86 51.46 8i1b s ASN 102 Cb -0.11 -2.30 -0.02 0.00 0.41 0.00 0.00 41.25 39.23 8i1b s ASN 102 CO 0.01 -0.75 1.14 -0.75 -1.51 0.00 0.00 177.10 175.25 8i1b s LYS 103 N 2.69 4.34 -0.10 -0.60 2.20 0.94 -1.54 119.74 127.67 8i1b s LYS 103 Ca 0.21 1.56 0.03 0.00 -0.36 0.00 0.00 55.97 57.40 8i1b s LYS 103 Cb -0.15 -3.60 0.01 0.00 -1.51 0.00 0.00 37.83 32.59 8i1b s LYS 103 CO 0.18 -0.47 -0.19 0.42 -0.36 0.00 0.00 175.35 174.93 8i1b s ILE 104 N 2.48 1.73 -0.27 5.43 1.01 0.45 -1.65 121.20 130.38 8i1b s ILE 104 Ca 0.52 -0.81 -0.12 0.00 0.00 0.00 0.00 60.65 60.24 8i1b s ILE 104 Cb -0.21 -1.53 -0.05 0.00 0.01 0.00 0.00 42.46 40.68 8i1b s ILE 104 CO 0.18 0.49 0.25 -1.61 0.00 0.00 0.00 174.94 174.25 8i1b s GLU 105 N 0.64 3.99 -0.32 2.79 2.02 -1.26 0.11 118.70 126.67 8i1b s GLU 105 Ca -0.13 -0.19 -0.00 0.00 0.02 0.00 0.00 54.97 54.67 8i1b s GLU 105 Cb -0.16 -3.65 0.10 0.00 0.10 0.00 0.00 34.13 30.52 8i1b s GLU 105 CO 0.04 -0.19 0.10 0.08 0.02 0.00 0.00 175.26 175.31 8i1b s VAL 106 N 1.79 1.02 -1.13 2.63 1.01 0.14 -4.90 120.40 120.95 8i1b s VAL 106 Ca 0.10 -1.53 -0.10 0.00 0.00 0.00 0.00 61.98 60.45 8i1b s VAL 106 Cb -0.16 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 8i1b s VAL 106 CO 0.10 -0.68 0.84 0.29 0.00 0.00 0.00 175.10 175.66 8i1b n LYS 107 N 4.74 -2.63 0.00 2.72 4.01 -1.26 -1.58 118.16 124.16 8i1b n LYS 107 Ca -0.01 0.68 0.00 0.00 -0.51 0.00 0.00 58.31 58.47 8i1b n LYS 107 Cb 0.42 -5.14 0.00 0.00 -0.51 0.00 0.00 35.03 29.80 8i1b n LYS 107 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 8i1b n SER 108 N -3.00 0.00 -4.83 4.39 7.64 -1.26 -4.98 113.62 111.57 8i1b n SER 108 Ca -0.13 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.52 8i1b n SER 108 Cb 0.62 -0.02 -0.04 0.00 -1.01 0.00 0.00 64.21 63.76 8i1b n SER 108 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 8i1b s LYS 109 N 0.00 2.97 0.06 1.43 1.02 -0.62 -4.78 119.74 119.83 8i1b s LYS 109 Ca 0.00 -0.99 0.09 0.00 0.02 0.00 0.00 55.97 55.09 8i1b s LYS 109 Cb 0.00 -2.61 -0.03 0.00 -0.52 0.00 0.00 37.83 34.67 8i1b s LYS 109 CO 0.00 0.42 -0.24 0.08 -0.92 0.00 0.00 175.35 174.69 8i1b s VAL 110 N -2.05 1.97 0.04 3.17 1.01 0.21 0.24 120.40 124.99 8i1b s VAL 110 Ca 0.33 -1.41 0.05 0.00 0.00 0.00 0.00 61.98 60.95 8i1b s VAL 110 Cb -0.08 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 8i1b s VAL 110 CO 0.25 0.23 -0.15 -1.61 0.00 0.00 0.00 175.10 173.81 8i1b s GLU 111 N -1.42 1.02 -0.36 2.72 2.02 0.29 -1.37 118.70 121.59 8i1b s GLU 111 Ca 0.10 -0.81 0.02 0.00 0.02 0.00 0.00 54.97 54.31 8i1b s GLU 111 Cb -0.10 -1.06 0.11 0.00 0.10 0.00 0.00 34.13 33.19 8i1b s GLU 111 CO 0.03 0.26 0.11 -0.06 0.02 0.00 0.00 175.26 175.62 8i1b s PHE 112 N -0.86 2.89 -0.01 1.61 0.08 -1.26 -0.41 117.98 120.02 8i1b s PHE 112 Ca 0.03 -2.58 -0.20 0.00 0.12 0.00 0.00 56.93 54.29 8i1b s PHE 112 Cb -0.08 -2.44 -0.05 0.00 -0.57 0.00 0.00 43.02 39.88 8i1b s PHE 112 CO 0.01 -0.89 0.58 -2.00 -0.10 0.00 0.00 175.22 172.83 8i1b s GLU 113 N 0.92 4.30 0.11 0.44 2.12 -0.59 -1.18 118.70 124.83 8i1b s GLU 113 Ca 0.12 0.71 -0.31 0.00 0.36 0.00 0.00 54.97 55.85 8i1b s GLU 113 Cb -0.20 -3.34 -0.08 0.00 0.26 0.00 0.00 34.13 30.77 8i1b s GLU 113 CO -0.11 0.37 1.43 0.45 -0.54 0.00 0.00 175.26 176.85 8i1b s SER 114 N -0.17 6.78 0.35 -1.70 0.15 0.16 0.09 113.70 119.36 8i1b s SER 114 Ca 0.31 2.36 0.15 0.00 0.70 0.00 0.00 55.95 59.47 8i1b s SER 114 Cb -0.18 -2.58 0.62 0.00 -1.71 0.00 0.00 66.02 62.17 8i1b s SER 114 CO 0.17 -0.69 1.73 0.00 1.20 0.00 0.00 173.24 175.64 8i1b h ALA 115 N 6.93 1.08 0.01 5.45 0.00 -1.24 -3.01 119.26 128.46 8i1b h ALA 115 Ca -0.42 -0.40 -0.20 0.00 0.00 0.00 0.00 54.91 53.89 8i1b h ALA 115 Cb 1.21 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 8i1b h ALA 115 CO 0.88 0.55 -0.90 1.49 0.00 0.00 0.00 179.25 181.27 8i1b h GLU 116 N 0.00 0.15 -2.78 0.00 4.57 -1.76 -3.39 114.58 111.38 8i1b h GLU 116 Ca -0.00 -0.18 -0.61 0.00 -1.18 0.00 0.00 59.36 57.39 8i1b h GLU 116 Cb 0.89 0.06 -0.40 0.00 -0.16 0.00 0.00 28.75 29.13 8i1b h GLU 116 CO 0.06 0.95 -0.77 -0.06 -1.18 0.00 0.00 179.01 178.01 8i1b s PHE 117 N -3.12 2.22 0.30 0.92 0.08 -1.15 -5.11 117.98 112.13 8i1b s PHE 117 Ca -0.02 -2.72 -0.28 0.00 0.12 0.00 0.00 56.93 54.02 8i1b s PHE 117 Cb 0.10 -1.82 -0.14 0.00 -0.57 0.00 0.00 43.02 40.60 8i1b s PHE 117 CO 0.83 -0.71 1.08 -2.30 -0.10 0.00 0.00 175.22 174.01 8i1b n PRO 118 N 2.69 1.53 -1.00 0.24 -0.02 -1.18 -1.53 135.00 135.74 8i1b n PRO 118 Ca 0.21 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 8i1b n PRO 118 Cb 0.40 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 8i1b n PRO 118 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 8i1b n ASN 119 N 1.13 -2.94 -4.24 2.55 4.13 -1.26 -5.00 115.26 109.63 8i1b n ASN 119 Ca 0.09 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 56.01 8i1b n ASN 119 Cb 0.33 -0.65 -0.15 0.00 -1.54 0.00 0.00 39.78 37.76 8i1b n ASN 119 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 8i1b s TRP 120 N -2.08 2.80 0.27 3.10 0.52 -0.58 -4.49 118.94 118.48 8i1b s TRP 120 Ca 0.00 -1.16 0.12 0.00 0.02 0.00 0.00 56.10 55.08 8i1b s TRP 120 Cb 0.00 -1.92 -0.05 0.00 -1.15 0.00 0.00 33.47 30.35 8i1b s TRP 120 CO 0.00 -0.56 -0.20 0.71 0.02 0.00 0.00 176.95 176.92 8i1b s TYR 121 N 1.00 2.28 0.02 -1.98 1.51 0.77 0.36 117.35 121.31 8i1b s TYR 121 Ca -0.02 -0.34 -0.30 0.00 -1.01 0.00 0.00 57.07 55.40 8i1b s TYR 121 Cb -0.15 -0.99 -0.07 0.00 -0.11 0.00 0.00 41.96 40.64 8i1b s TYR 121 CO -0.03 0.70 1.50 0.42 -1.11 0.00 0.00 175.55 177.03 8i1b s ILE 122 N -2.47 3.45 0.15 2.71 1.01 -0.32 -1.26 121.20 124.46 8i1b s ILE 122 Ca 0.29 0.85 0.06 0.00 0.00 0.00 0.00 60.65 61.85 8i1b s ILE 122 Cb -0.05 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 8i1b s ILE 122 CO 0.15 -0.00 -0.13 -0.44 0.00 0.00 0.00 174.94 174.51 8i1b s SER 123 N 2.12 2.02 0.08 3.58 0.01 0.26 -4.57 113.70 117.21 8i1b s SER 123 Ca 0.68 -0.92 0.06 0.00 1.31 0.00 0.00 55.95 57.08 8i1b s SER 123 Cb -0.35 -0.06 -0.03 0.00 0.21 0.00 0.00 66.02 65.79 8i1b s SER 123 CO 0.29 -0.22 -0.15 0.42 0.41 0.00 0.00 173.24 173.99 8i1b s THR 124 N -2.71 1.24 0.76 1.44 -4.23 -0.84 -1.43 115.64 109.88 8i1b s THR 124 Ca 0.14 -1.39 -0.06 0.00 -1.18 0.00 0.00 61.69 59.21 8i1b s THR 124 Cb -0.02 -1.20 0.12 0.00 1.34 0.00 0.00 72.50 72.75 8i1b s THR 124 CO 0.03 -0.21 1.06 -0.44 -0.54 0.00 0.00 174.62 174.52 8i1b s SER 125 N -1.83 4.23 -0.01 3.99 0.01 -1.26 -1.25 113.70 117.58 8i1b s SER 125 Ca 0.00 0.02 -0.10 0.00 1.31 0.00 0.00 55.95 57.18 8i1b s SER 125 Cb -0.10 -0.42 -0.32 0.00 0.21 0.00 0.00 66.02 65.40 8i1b s SER 125 CO 0.03 -1.95 0.84 1.56 0.41 0.00 0.00 173.24 174.12 8i1b h GLN 126 N -0.77 0.40 -7.33 12.44 1.08 -1.97 -3.46 115.11 115.51 8i1b h GLN 126 Ca -0.41 -0.69 -0.49 0.00 -1.45 0.00 0.00 58.65 55.62 8i1b h GLN 126 Cb 1.27 0.26 0.15 0.00 -0.05 0.00 0.00 27.48 29.11 8i1b h GLN 126 CO 0.45 1.31 0.25 0.00 -0.95 0.00 0.00 178.83 179.90 8i1b s ALA 127 N -2.60 1.58 0.40 3.87 0.00 -1.26 -5.04 121.76 118.71 8i1b s ALA 127 Ca -0.12 -0.01 0.05 0.00 0.00 0.00 0.00 51.96 51.88 8i1b s ALA 127 Cb 0.05 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.97 8i1b s ALA 127 CO 0.88 -2.33 0.57 -2.00 0.00 0.00 0.00 175.76 172.88 8i1b s GLU 128 N -4.91 2.99 -0.39 0.00 2.12 -1.26 -4.32 118.70 112.92 8i1b s GLU 128 Ca 0.63 -0.90 0.00 0.00 0.36 0.00 0.00 54.97 55.07 8i1b s GLU 128 Cb -0.18 -2.71 0.00 0.00 0.26 0.00 0.00 34.13 31.50 8i1b s GLU 128 CO 0.57 -0.16 0.00 0.72 -0.54 0.00 0.00 175.26 175.85 8i1b n HIS 129 N -1.86 0.00 -3.40 5.30 8.25 -1.04 -4.99 115.22 117.48 8i1b n HIS 129 Ca 0.03 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.23 8i1b n HIS 129 Cb 0.58 -1.85 -0.02 0.00 1.12 0.00 0.00 29.99 29.83 8i1b n HIS 129 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 8i1b s LYS 130 N -1.97 3.52 0.62 -0.41 -0.14 -1.26 -4.89 119.74 115.21 8i1b s LYS 130 Ca 0.00 -0.25 -0.14 0.00 -1.36 0.00 0.00 55.97 54.23 8i1b s LYS 130 Cb 0.00 -2.68 -0.03 0.00 -1.68 0.00 0.00 37.83 33.45 8i1b s LYS 130 CO 0.00 0.19 1.04 -1.25 -0.76 0.00 0.00 175.35 174.57 8i1b s PRO 131 N -4.02 3.31 0.17 -1.68 0.04 -1.26 -2.61 135.00 128.95 8i1b s PRO 131 Ca 0.41 1.02 -0.27 0.00 0.04 0.00 0.00 61.00 62.21 8i1b s PRO 131 Cb -0.10 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.32 8i1b s PRO 131 CO 0.34 -0.80 0.82 0.08 0.04 0.00 0.00 177.00 177.48 8i1b s VAL 132 N -2.78 4.35 0.29 -0.36 1.01 -0.51 -4.63 120.40 117.77 8i1b s VAL 132 Ca 0.60 1.80 0.07 0.00 0.00 0.00 0.00 61.98 64.44 8i1b s VAL 132 Cb -0.14 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 8i1b s VAL 132 CO 0.44 0.49 0.24 2.22 0.00 0.00 0.00 175.10 178.50 8i1b n PHE 133 N 1.77 -0.66 -3.61 5.22 -1.74 -0.51 -4.82 117.46 113.10 8i1b n PHE 133 Ca -0.04 -2.42 -0.38 0.00 -0.56 0.00 0.00 57.45 54.04 8i1b n PHE 133 Cb 0.48 0.24 -0.11 0.00 1.52 0.00 0.00 39.48 41.62 8i1b n PHE 133 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 8i1b s LEU 134 N 0.00 4.01 0.27 5.98 0.20 -1.26 -0.58 118.68 127.31 8i1b s LEU 134 Ca 0.34 -0.16 0.08 0.00 0.69 0.00 0.00 54.13 55.08 8i1b s LEU 134 Cb 0.02 -2.08 -0.06 0.00 -0.43 0.00 0.00 46.19 43.64 8i1b s LEU 134 CO 0.24 -0.09 -0.09 -0.83 -0.29 0.00 0.00 176.35 175.29 8i1b s GLY 135 N 1.72 1.80 -0.42 7.98 0.00 -0.39 -4.86 107.32 113.15 8i1b s GLY 135 Ca 0.07 -1.88 0.05 0.00 0.00 0.00 0.00 44.72 42.96 8i1b s GLY 135 CO 0.09 -1.86 1.76 1.16 0.00 0.00 0.00 173.10 174.25 8i1b n ASN 136 N -0.57 3.80 -3.44 1.64 2.04 -1.26 -0.16 115.26 117.30 8i1b n ASN 136 Ca -0.06 -3.70 -0.20 0.00 -0.44 0.00 0.00 54.58 50.18 8i1b n ASN 136 Cb 0.63 -0.77 0.06 0.00 -2.53 0.00 0.00 39.78 37.17 8i1b n ASN 136 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 8i1b n ASN 137 N -1.10 -4.75 -4.84 0.53 5.15 -1.26 -4.96 115.26 104.03 8i1b n ASN 137 Ca 0.51 -0.78 -0.31 0.00 -0.60 0.00 0.00 54.58 53.40 8i1b n ASN 137 Cb 1.33 -4.62 -0.06 0.00 -0.53 0.00 0.00 39.78 35.90 8i1b n ASN 137 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 8i1b s SER 138 N -3.72 5.91 0.06 1.20 1.04 -1.26 -4.97 113.70 111.97 8i1b s SER 138 Ca 0.32 0.14 -0.12 0.00 0.48 0.00 0.00 55.95 56.77 8i1b s SER 138 Cb -0.06 -1.72 -0.07 0.00 0.10 0.00 0.00 66.02 64.27 8i1b s SER 138 CO 0.78 0.20 0.24 0.61 0.98 0.00 0.00 173.24 176.05 8i1b n GLY 139 N 0.58 -0.57 4.08 7.32 0.00 -1.26 -0.25 105.19 115.09 8i1b n GLY 139 Ca -0.08 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.10 8i1b n GLY 139 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 8i1b n GLN 141 N 0.43 0.00 -1.54 1.61 6.02 -1.26 -4.95 117.38 117.69 8i1b n GLN 141 Ca 0.07 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.65 8i1b n GLN 141 Cb 0.09 -0.08 0.02 0.00 1.02 0.00 0.00 30.24 31.28 8i1b n GLN 141 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 8i1b n ASP 142 N 1.50 0.22 -4.29 1.08 8.00 0.66 -4.43 116.55 119.29 8i1b n ASP 142 Ca 0.00 0.94 -0.34 0.00 0.71 0.00 0.00 54.79 56.10 8i1b n ASP 142 Cb 0.00 -1.25 -0.15 0.00 -0.02 0.00 0.00 41.12 39.70 8i1b n ASP 142 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 8i1b s ILE 143 N -1.41 2.94 0.00 0.53 1.01 -0.38 -4.84 121.20 119.05 8i1b s ILE 143 Ca 0.65 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 60.64 8i1b s ILE 143 Cb -0.55 -2.28 0.00 0.00 0.01 0.00 0.00 42.46 39.64 8i1b s ILE 143 CO 0.56 0.49 0.57 2.30 0.00 0.00 0.00 174.94 178.86 8i1b n ILE 144 N 4.20 0.28 -4.55 2.92 -5.35 -1.26 -1.98 119.36 113.62 8i1b n ILE 144 Ca -0.19 -0.53 -0.34 0.00 -0.27 0.00 0.00 62.75 61.42 8i1b n ILE 144 Cb 0.52 1.00 -0.11 0.00 -1.74 0.00 0.00 39.64 39.31 8i1b n ILE 144 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 8i1b s ASP 145 N -0.28 4.82 0.11 7.28 1.01 -1.26 -4.46 116.67 123.90 8i1b s ASP 145 Ca 0.00 0.02 0.01 0.00 0.71 0.00 0.00 52.55 53.29 8i1b s ASP 145 Cb 0.00 -1.28 -0.04 0.00 1.01 0.00 0.00 42.92 42.61 8i1b s ASP 145 CO 0.00 0.36 -0.02 -0.36 0.21 0.00 0.00 175.17 175.36 8i1b s PHE 146 N -0.79 0.87 -0.07 4.23 0.40 -0.47 -1.12 117.98 121.04 8i1b s PHE 146 Ca 0.12 -1.04 0.02 0.00 -0.60 0.00 0.00 56.93 55.43 8i1b s PHE 146 Cb -0.11 -0.52 -0.03 0.00 0.51 0.00 0.00 43.02 42.87 8i1b s PHE 146 CO 0.02 -0.29 -0.11 0.99 0.70 0.00 0.00 175.22 176.52 8i1b s THR 147 N -3.79 3.34 -0.09 0.64 2.01 0.19 0.64 115.64 118.58 8i1b s THR 147 Ca 0.16 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.56 8i1b s THR 147 Cb 0.07 -2.34 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 8i1b s THR 147 CO -0.03 0.59 -0.13 -0.04 -0.69 0.00 0.00 174.62 174.32 8i1b s MET 148 N -0.64 2.94 -0.20 4.92 -1.94 -1.26 -2.83 119.30 120.28 8i1b s MET 148 Ca 0.10 -0.68 0.01 0.00 -1.71 0.00 0.00 55.69 53.41 8i1b s MET 148 Cb -0.11 -2.52 0.03 0.00 2.01 0.00 0.00 34.83 34.24 8i1b s MET 148 CO 0.01 0.43 -0.17 -2.00 -0.01 0.00 0.00 175.02 173.29 8i1b s GLU 149 N -0.23 2.84 0.45 2.03 2.12 -0.94 -5.00 118.70 119.98 8i1b s GLU 149 Ca 0.01 -0.94 -0.25 0.00 0.36 0.00 0.00 54.97 54.16 8i1b s GLU 149 Cb -0.13 -2.68 -0.08 0.00 0.26 0.00 0.00 34.13 31.50 8i1b s GLU 149 CO 0.03 -0.30 1.34 -1.12 -0.54 0.00 0.00 175.26 174.67 8i1b s SER 150 N 1.26 5.97 0.00 -1.70 0.01 -1.26 -2.02 113.70 115.96 8i1b s SER 150 Ca 0.02 2.73 0.03 0.00 1.31 0.00 0.00 55.95 60.04 8i1b s SER 150 Cb -0.15 -2.64 0.02 0.00 0.21 0.00 0.00 66.02 63.47 8i1b s SER 150 CO -0.10 -1.09 0.59 0.52 0.41 0.00 0.00 173.24 173.57