#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ne8 s ILE 2 N 0.00 5.04 0.43 1.96 1.01 -1.26 -4.87 121.20 123.51 1ne8 s ILE 2 Ca 0.00 1.06 0.06 0.00 0.00 0.00 0.00 60.65 61.77 1ne8 s ILE 2 Cb 0.00 -3.90 -0.06 0.00 0.01 0.00 0.00 42.46 38.51 1ne8 s ILE 2 CO 0.00 0.10 0.02 0.68 0.00 0.00 0.00 174.94 175.75 1ne8 s VAL 3 N 2.05 1.84 0.01 2.92 -7.23 -1.22 -5.05 120.40 113.72 1ne8 s VAL 3 Ca 0.26 -1.98 0.04 0.00 -1.81 0.00 0.00 61.98 58.49 1ne8 s VAL 3 Cb -0.16 -2.81 -0.01 0.00 0.56 0.00 0.00 36.38 33.96 1ne8 s VAL 3 CO 0.09 0.00 -0.12 -0.54 -0.31 0.00 0.00 175.10 174.22 1ne8 s LYS 4 N -3.76 0.91 0.29 4.82 -0.14 -1.26 -4.45 119.74 116.14 1ne8 s LYS 4 Ca 0.29 -0.54 -0.30 0.00 -1.36 0.00 0.00 55.97 54.06 1ne8 s LYS 4 Cb 0.08 -0.88 -0.13 0.00 -1.68 0.00 0.00 37.83 35.22 1ne8 s LYS 4 CO 0.15 0.23 1.38 -2.13 -0.76 0.00 0.00 175.35 174.22 1ne8 n ARG 5 N 2.43 2.16 0.00 1.68 0.63 -1.26 -1.45 116.66 120.85 1ne8 n ARG 5 Ca -0.16 0.76 0.00 0.00 -0.92 0.00 0.00 57.85 57.54 1ne8 n ARG 5 Cb 0.56 -2.41 0.00 0.00 0.45 0.00 0.00 32.46 31.06 1ne8 n ARG 5 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ne8 n GLY 6 N 1.56 2.55 3.77 5.14 0.00 -0.53 -4.96 105.19 112.72 1ne8 n GLY 6 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1ne8 n GLY 6 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ne8 s ASP 7 N -1.39 6.35 -0.14 1.61 1.01 -0.53 -0.82 116.67 122.76 1ne8 s ASP 7 Ca 0.00 2.31 0.01 0.00 0.71 0.00 0.00 52.55 55.57 1ne8 s ASP 7 Cb 0.00 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 1ne8 s ASP 7 CO 0.00 -0.80 -0.15 -0.69 0.21 0.00 0.00 175.17 173.74 1ne8 s VAL 8 N -1.50 2.73 0.17 -1.27 1.01 0.11 -1.24 120.40 120.40 1ne8 s VAL 8 Ca 0.61 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.89 1ne8 s VAL 8 Cb -0.29 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1ne8 s VAL 8 CO 0.36 0.52 -0.13 -0.31 0.00 0.00 0.00 175.10 175.54 1ne8 s TYR 9 N 0.61 1.51 0.16 5.22 1.51 -0.41 -0.06 117.35 125.89 1ne8 s TYR 9 Ca -0.09 -0.63 -0.30 0.00 -1.01 0.00 0.00 57.07 55.05 1ne8 s TYR 9 Cb -0.16 -0.74 -0.07 0.00 -0.11 0.00 0.00 41.96 40.88 1ne8 s TYR 9 CO 0.03 0.23 1.02 -0.06 -1.11 0.00 0.00 175.55 175.65 1ne8 s PHE 10 N -2.89 3.75 0.02 2.71 0.40 -0.28 -0.08 117.98 121.60 1ne8 s PHE 10 Ca 0.18 1.74 0.01 0.00 -0.60 0.00 0.00 56.93 58.26 1ne8 s PHE 10 Cb -0.01 -3.14 -0.01 0.00 0.51 0.00 0.00 43.02 40.37 1ne8 s PHE 10 CO 0.04 -0.10 -0.05 0.00 0.70 0.00 0.00 175.22 175.80 1ne8 s ALA 11 N -0.30 0.41 -0.52 5.36 0.00 0.18 -1.07 121.76 125.82 1ne8 s ALA 11 Ca 0.47 -0.48 -0.22 0.00 0.00 0.00 0.00 51.96 51.73 1ne8 s ALA 11 Cb -0.26 -0.00 0.04 0.00 0.00 0.00 0.00 23.12 22.90 1ne8 s ALA 11 CO 0.32 0.01 0.80 0.34 0.00 0.00 0.00 175.76 177.23 1ne8 s ASP 12 N -0.89 6.31 0.00 0.00 -1.08 -0.76 -1.45 116.67 118.80 1ne8 s ASP 12 Ca -0.06 -0.51 0.27 0.00 -0.52 0.00 0.00 52.55 51.73 1ne8 s ASP 12 Cb -0.06 -2.37 0.90 0.00 -1.46 0.00 0.00 42.92 39.92 1ne8 s ASP 12 CO -0.00 -1.05 1.65 0.18 0.52 0.00 0.00 175.17 176.47 1ne8 n LEU 13 N 6.87 0.96 -4.84 -1.34 4.77 0.16 -4.88 117.00 118.69 1ne8 n LEU 13 Ca -0.01 -0.23 -0.31 0.00 -0.03 0.00 0.00 56.01 55.42 1ne8 n LEU 13 Cb 0.47 -0.12 0.03 0.00 -2.33 0.00 0.00 43.42 41.47 1ne8 n LEU 13 CO 0.59 0.18 0.71 -0.44 -1.33 0.00 0.00 177.39 177.10 1ne8 s SER 14 N -2.43 5.84 0.66 -1.43 0.01 -1.26 -4.50 113.70 110.60 1ne8 s SER 14 Ca 0.27 1.54 -0.11 0.00 1.31 0.00 0.00 55.95 58.96 1ne8 s SER 14 Cb 0.20 -2.49 -0.01 0.00 0.21 0.00 0.00 66.02 63.93 1ne8 s SER 14 CO 0.49 -1.13 1.06 -2.16 0.41 0.00 0.00 173.24 171.91 1ne8 s PRO 15 N -4.99 3.23 0.24 12.44 0.04 -1.26 -4.97 135.00 139.73 1ne8 s PRO 15 Ca 0.57 0.60 0.02 0.00 0.04 0.00 0.00 61.00 62.23 1ne8 s PRO 15 Cb -0.13 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 1ne8 s PRO 15 CO 0.52 -0.80 0.07 0.14 0.04 0.00 0.00 177.00 176.97 1ne8 s VAL 16 N -3.27 0.66 -0.06 -0.36 -7.23 -1.26 -5.03 120.40 103.85 1ne8 s VAL 16 Ca 0.57 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.79 1ne8 s VAL 16 Cb -0.11 -2.52 -0.01 0.00 0.56 0.00 0.00 36.38 34.30 1ne8 s VAL 16 CO 0.53 -0.12 -0.24 -0.69 -0.31 0.00 0.00 175.10 174.26 1ne8 s VAL 17 N -3.68 1.99 0.00 1.32 1.01 -1.26 -5.02 120.40 114.76 1ne8 s VAL 17 Ca 0.34 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1ne8 s VAL 17 Cb 0.07 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.76 1ne8 s VAL 17 CO 0.11 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.38 1ne8 n GLY 18 N 3.09 3.56 0.95 4.51 0.00 -1.26 -1.81 105.19 114.22 1ne8 n GLY 18 Ca -0.18 -0.08 0.05 0.00 0.00 0.00 0.00 46.02 45.82 1ne8 n GLY 18 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ne8 n SER 19 N 6.79 2.71 -4.75 1.61 7.64 -1.26 -4.90 113.62 121.46 1ne8 n SER 19 Ca 0.00 -2.20 -0.41 0.00 1.01 0.00 0.00 58.87 57.28 1ne8 n SER 19 Cb 0.00 -0.40 -0.03 0.00 -1.01 0.00 0.00 64.21 62.77 1ne8 n SER 19 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1ne8 s GLU 20 N -1.65 4.46 -0.10 1.43 2.02 -0.75 -4.99 118.70 119.11 1ne8 s GLU 20 Ca 0.28 2.02 -0.30 0.00 0.02 0.00 0.00 54.97 57.00 1ne8 s GLU 20 Cb 0.17 -3.15 -0.02 0.00 0.10 0.00 0.00 34.13 31.23 1ne8 s GLU 20 CO 0.15 -0.08 1.10 -0.65 0.02 0.00 0.00 175.26 175.80 1ne8 s GLN 21 N -1.10 4.37 0.00 1.61 -1.52 -1.26 -4.73 119.66 117.03 1ne8 s GLN 21 Ca 0.50 1.51 0.00 0.00 -1.95 0.00 0.00 55.36 55.42 1ne8 s GLN 21 Cb -0.36 -3.57 0.00 0.00 -0.22 0.00 0.00 33.01 28.86 1ne8 s GLN 21 CO 0.44 -0.42 0.00 0.41 -0.25 0.00 0.00 175.29 175.47 1ne8 n GLY 22 N 3.25 6.99 0.44 3.09 0.00 -1.26 -4.90 105.19 112.79 1ne8 n GLY 22 Ca 0.10 -1.95 0.06 0.00 0.00 0.00 0.00 46.02 44.23 1ne8 n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ne8 n GLY 23 N 4.83 -1.83 3.66 -0.02 0.00 -1.26 -4.73 105.19 105.83 1ne8 n GLY 23 Ca 0.00 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 1ne8 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ne8 s VAL 24 N -1.91 4.78 0.16 1.61 1.01 -1.26 -0.67 120.40 124.12 1ne8 s VAL 24 Ca 0.00 1.79 -0.16 0.00 0.00 0.00 0.00 61.98 63.61 1ne8 s VAL 24 Cb 0.00 -4.21 0.03 0.00 0.00 0.00 0.00 36.38 32.20 1ne8 s VAL 24 CO 0.00 -0.10 0.45 0.00 0.00 0.00 0.00 175.10 175.46 1ne8 s ARG 25 N 2.83 1.23 0.29 2.72 1.70 -0.53 -4.93 118.95 122.25 1ne8 s ARG 25 Ca 0.40 -0.82 -0.30 0.00 -0.47 0.00 0.00 55.73 54.55 1ne8 s ARG 25 Cb -0.16 0.49 -0.11 0.00 -0.57 0.00 0.00 34.95 34.61 1ne8 s ARG 25 CO 0.08 -0.50 1.51 -1.25 -1.08 0.00 0.00 175.30 174.06 1ne8 s PRO 26 N -3.85 4.19 0.04 3.89 0.05 -1.26 -0.65 135.00 137.41 1ne8 s PRO 26 Ca 0.07 2.45 0.02 0.00 0.05 0.00 0.00 61.00 63.59 1ne8 s PRO 26 Cb 0.01 -3.05 -0.02 0.00 0.05 0.00 0.00 34.50 31.48 1ne8 s PRO 26 CO -0.07 -0.51 -0.07 0.14 0.05 0.00 0.00 177.00 176.54 1ne8 s VAL 27 N -0.20 0.52 -0.22 -0.36 -7.23 0.89 -1.62 120.40 112.18 1ne8 s VAL 27 Ca 0.60 -1.00 -0.10 0.00 -1.81 0.00 0.00 61.98 59.67 1ne8 s VAL 27 Cb -0.45 -0.58 -0.05 0.00 0.56 0.00 0.00 36.38 35.87 1ne8 s VAL 27 CO 0.48 -0.34 0.13 -0.22 -0.31 0.00 0.00 175.10 174.85 1ne8 s LEU 28 N -1.45 4.08 -0.24 1.32 2.96 -0.00 -1.29 118.68 124.07 1ne8 s LEU 28 Ca -0.09 0.13 -0.29 0.00 -0.22 0.00 0.00 54.13 53.66 1ne8 s LEU 28 Cb -0.09 -2.08 -0.01 0.00 0.50 0.00 0.00 46.19 44.51 1ne8 s LEU 28 CO 0.00 0.11 1.36 -0.69 -1.32 0.00 0.00 176.35 175.81 1ne8 s VAL 29 N 0.78 4.08 -0.58 1.68 1.01 -0.37 -0.42 120.40 126.57 1ne8 s VAL 29 Ca 0.07 1.25 0.06 0.00 0.00 0.00 0.00 61.98 63.37 1ne8 s VAL 29 Cb -0.13 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 1ne8 s VAL 29 CO 0.02 -0.32 0.49 2.30 0.00 0.00 0.00 175.10 177.58 1ne8 n ILE 30 N 5.96 0.00 -1.86 2.22 -5.35 0.05 -1.45 119.36 118.93 1ne8 n ILE 30 Ca 0.15 -0.43 -0.34 0.00 -0.27 0.00 0.00 62.75 61.87 1ne8 n ILE 30 Cb 0.46 1.07 0.04 0.00 -1.74 0.00 0.00 39.64 39.47 1ne8 n ILE 30 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1ne8 s GLN 31 N -1.07 2.91 0.88 6.28 0.74 -1.02 -4.98 119.66 123.40 1ne8 s GLN 31 Ca 0.05 1.46 -0.12 0.00 0.05 0.00 0.00 55.36 56.80 1ne8 s GLN 31 Cb 0.05 -1.96 0.08 0.00 1.10 0.00 0.00 33.01 32.28 1ne8 s GLN 31 CO 0.17 -1.18 0.88 0.27 -0.55 0.00 0.00 175.29 174.88 1ne8 n ASN 32 N -2.16 -0.38 0.16 6.67 0.23 -1.26 -4.26 115.26 114.26 1ne8 n ASN 32 Ca 0.11 0.45 0.10 0.00 -0.53 0.00 0.00 54.58 54.70 1ne8 n ASN 32 Cb 0.52 -1.38 0.08 0.00 -2.08 0.00 0.00 39.78 36.92 1ne8 n ASN 32 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1ne8 h ASP 33 N -1.42 0.00 0.53 0.53 3.32 -1.95 -0.88 116.42 116.55 1ne8 h ASP 33 Ca -0.44 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.58 1ne8 h ASP 33 Cb 1.29 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.84 1ne8 h ASP 33 CO 0.40 0.11 -0.25 0.40 -1.72 0.00 0.00 179.24 178.18 1ne8 h ILE 34 N 0.00 0.41 -0.60 0.35 1.08 -1.96 -0.99 117.51 115.80 1ne8 h ILE 34 Ca -0.01 -0.28 0.11 0.00 -0.39 0.00 0.00 64.86 64.29 1ne8 h ILE 34 Cb 1.10 0.52 -0.09 0.00 -3.07 0.00 0.00 36.82 35.28 1ne8 h ILE 34 CO 0.01 0.04 0.13 1.23 -0.69 0.00 0.00 178.15 178.87 1ne8 h GLY 35 N -0.90 0.77 2.00 5.37 0.00 -1.93 -0.78 103.07 107.60 1ne8 h GLY 35 Ca -0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1ne8 h GLY 35 CO 0.12 -0.11 -0.06 3.43 0.00 0.00 0.00 176.54 179.92 1ne8 h ASN 36 N 0.26 0.00 0.08 0.19 2.35 -1.02 0.39 115.58 117.83 1ne8 h ASN 36 Ca 0.32 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.82 1ne8 h ASN 36 Cb 0.47 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1ne8 h ASN 36 CO -0.40 0.06 -1.29 -0.09 -1.65 0.00 0.00 177.43 174.05 1ne8 h ARG 37 N 0.00 0.17 0.00 0.81 2.43 -0.22 -3.23 114.38 114.34 1ne8 h ARG 37 Ca -0.00 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 1ne8 h ARG 37 Cb 0.13 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1ne8 h ARG 37 CO 0.01 1.14 -1.20 1.19 -1.51 0.00 0.00 179.97 179.59 1ne8 n PHE 38 N -4.06 0.00 -3.42 2.20 3.72 -0.39 -4.81 117.46 110.70 1ne8 n PHE 38 Ca -0.26 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.83 1ne8 n PHE 38 Cb 0.83 -0.17 -0.05 0.00 -0.94 0.00 0.00 39.48 39.15 1ne8 n PHE 38 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ne8 s SER 39 N -3.12 6.56 0.00 4.37 0.15 0.11 -4.96 113.70 116.81 1ne8 s SER 39 Ca 0.00 0.83 0.26 0.00 0.70 0.00 0.00 55.95 57.74 1ne8 s SER 39 Cb 0.11 -2.19 1.28 0.00 -1.71 0.00 0.00 66.02 63.52 1ne8 s SER 39 CO 0.66 -0.09 1.87 -0.81 1.20 0.00 0.00 173.24 176.07 1ne8 n PRO 40 N -0.32 0.32 -4.44 5.44 -0.04 -1.26 -4.83 135.00 129.87 1ne8 n PRO 40 Ca -0.00 0.04 -0.26 0.00 -0.04 0.00 0.00 63.50 63.24 1ne8 n PRO 40 Cb 0.53 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.38 1ne8 n PRO 40 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ne8 s THR 41 N -2.62 2.37 0.27 0.52 -4.23 -1.26 -1.55 115.64 109.13 1ne8 s THR 41 Ca 0.23 -2.16 0.11 0.00 -1.18 0.00 0.00 61.69 58.69 1ne8 s THR 41 Cb 0.17 -2.17 -0.05 0.00 1.34 0.00 0.00 72.50 71.79 1ne8 s THR 41 CO 0.40 -0.23 -0.18 0.00 -0.54 0.00 0.00 174.62 174.08 1ne8 s ALA 42 N -1.99 2.59 -0.11 3.99 0.00 -0.06 -4.70 121.76 121.49 1ne8 s ALA 42 Ca 0.24 -1.84 0.01 0.00 0.00 0.00 0.00 51.96 50.37 1ne8 s ALA 42 Cb -0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 1ne8 s ALA 42 CO 0.11 0.22 -0.13 0.42 0.00 0.00 0.00 175.76 176.38 1ne8 s ILE 43 N -2.62 3.08 0.09 0.00 1.01 -1.26 -0.41 121.20 121.09 1ne8 s ILE 43 Ca 0.28 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 60.28 1ne8 s ILE 43 Cb -0.04 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 1ne8 s ILE 43 CO 0.13 0.54 -0.07 0.68 0.00 0.00 0.00 174.94 176.23 1ne8 s VAL 44 N 0.02 0.67 -0.09 2.92 -7.23 0.49 -0.77 120.40 116.41 1ne8 s VAL 44 Ca -0.04 -1.83 0.01 0.00 -1.81 0.00 0.00 61.98 58.31 1ne8 s VAL 44 Cb -0.14 -1.55 -0.02 0.00 0.56 0.00 0.00 36.38 35.22 1ne8 s VAL 44 CO 0.04 -0.82 -0.12 0.00 -0.31 0.00 0.00 175.10 173.89 1ne8 s ALA 45 N -3.36 2.70 0.43 1.32 0.00 0.44 -0.17 121.76 123.11 1ne8 s ALA 45 Ca 0.09 -0.92 -0.25 0.00 0.00 0.00 0.00 51.96 50.88 1ne8 s ALA 45 Cb 0.03 -1.13 -0.08 0.00 0.00 0.00 0.00 23.12 21.95 1ne8 s ALA 45 CO -0.04 0.41 1.25 0.00 0.00 0.00 0.00 175.76 177.38 1ne8 s ALA 46 N -0.24 3.14 -0.05 0.00 0.00 -0.54 -0.82 121.76 123.25 1ne8 s ALA 46 Ca 0.01 1.13 0.05 0.00 0.00 0.00 0.00 51.96 53.15 1ne8 s ALA 46 Cb -0.13 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 1ne8 s ALA 46 CO 0.03 -0.78 -0.19 0.42 0.00 0.00 0.00 175.76 175.24 1ne8 s ILE 47 N -1.35 2.67 0.04 0.00 1.01 -0.64 -0.95 121.20 121.98 1ne8 s ILE 47 Ca 0.59 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 60.46 1ne8 s ILE 47 Cb -0.35 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 1ne8 s ILE 47 CO 0.44 0.58 -0.21 0.28 0.00 0.00 0.00 174.94 176.02 1ne8 s THR 48 N -0.50 1.71 -2.60 2.92 -1.32 -0.23 -4.54 115.64 111.08 1ne8 s THR 48 Ca 0.06 -1.20 0.22 0.00 -1.21 0.00 0.00 61.69 59.56 1ne8 s THR 48 Cb -0.11 -1.48 0.26 0.00 -1.51 0.00 0.00 72.50 69.65 1ne8 s THR 48 CO 0.01 0.23 1.26 0.00 -2.21 0.00 0.00 174.62 173.92 1ne8 n ALA 49 N 1.87 2.44 0.22 11.08 0.00 -1.26 -0.80 120.51 134.07 1ne8 n ALA 49 Ca -0.17 -0.79 0.05 0.00 0.00 0.00 0.00 53.44 52.53 1ne8 n ALA 49 Cb 0.53 -0.77 0.49 0.00 0.00 0.00 0.00 19.45 19.70 1ne8 n ALA 49 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1ne8 h GLN 50 N 4.30 0.00 -5.80 0.00 4.15 -1.95 -3.43 115.11 112.38 1ne8 h GLN 50 Ca 0.00 0.00 -0.54 0.00 0.77 0.00 0.00 58.65 58.88 1ne8 h GLN 50 Cb 0.93 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 28.48 1ne8 h GLN 50 CO 0.00 0.20 -0.72 0.96 -1.93 0.00 0.00 178.83 177.34 1ne8 s ILE 51 N -4.57 2.02 -0.02 2.39 -4.36 -1.26 -5.05 121.20 110.34 1ne8 s ILE 51 Ca -0.04 -2.25 0.02 0.00 -0.26 0.00 0.00 60.65 58.13 1ne8 s ILE 51 Cb 0.15 -2.32 -0.03 0.00 1.25 0.00 0.00 42.46 41.51 1ne8 s ILE 51 CO 0.70 -0.40 0.05 0.00 0.24 0.00 0.00 174.94 175.53 1ne8 n GLN 52 N -0.57 1.39 -4.36 0.37 3.00 -1.26 -4.05 117.38 111.89 1ne8 n GLN 52 Ca -0.06 -0.02 -0.30 0.00 -0.01 0.00 0.00 57.00 56.62 1ne8 n GLN 52 Cb 0.62 -0.95 -0.12 0.00 0.00 0.00 0.00 30.24 29.79 1ne8 n GLN 52 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1ne8 s LYS 53 N -1.94 1.82 0.22 -1.09 3.01 -1.26 -4.74 119.74 115.75 1ne8 s LYS 53 Ca -0.00 -1.15 -0.31 0.00 -1.01 0.00 0.00 55.97 53.50 1ne8 s LYS 53 Cb 0.01 -2.12 -0.10 0.00 -1.01 0.00 0.00 37.83 34.62 1ne8 s LYS 53 CO 0.09 0.49 1.47 0.00 0.51 0.00 0.00 175.35 177.91 1ne8 s ALA 54 N -1.11 3.67 -0.12 5.17 0.00 -1.26 -4.90 121.76 123.21 1ne8 s ALA 54 Ca 0.17 1.33 0.16 0.00 0.00 0.00 0.00 51.96 53.62 1ne8 s ALA 54 Cb -0.11 -3.57 -0.23 0.00 0.00 0.00 0.00 23.12 19.21 1ne8 s ALA 54 CO 0.09 -0.74 0.16 1.63 0.00 0.00 0.00 175.76 176.90 1ne8 n LYS 55 N 2.90 1.07 -4.46 0.00 5.02 -1.26 -5.03 118.16 116.40 1ne8 n LYS 55 Ca 0.09 -0.06 -0.23 0.00 -2.02 0.00 0.00 58.31 56.09 1ne8 n LYS 55 Cb 0.40 -1.42 -0.10 0.00 -0.02 0.00 0.00 35.03 33.88 1ne8 n LYS 55 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ne8 s LEU 56 N -4.91 2.60 0.00 -0.35 1.43 -1.26 -5.01 118.68 111.17 1ne8 s LEU 56 Ca -0.08 -1.13 0.22 0.00 -1.03 0.00 0.00 54.13 52.11 1ne8 s LEU 56 Cb 0.07 -0.88 1.16 0.00 0.03 0.00 0.00 46.19 46.57 1ne8 s LEU 56 CO 0.70 -0.18 1.69 -0.81 0.23 0.00 0.00 176.35 177.98 1ne8 n PRO 57 N -0.63 0.43 -0.18 1.29 -0.04 -1.26 -1.94 135.00 132.66 1ne8 n PRO 57 Ca -0.06 0.06 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 1ne8 n PRO 57 Cb 0.62 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.85 1ne8 n PRO 57 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ne8 n THR 58 N -1.20 0.48 -3.94 0.52 -2.24 -1.26 -4.61 114.28 102.03 1ne8 n THR 58 Ca 0.12 -0.60 -0.37 0.00 -2.27 0.00 0.00 64.05 60.93 1ne8 n THR 58 Cb 0.14 0.56 -0.07 0.00 -2.10 0.00 0.00 70.33 68.87 1ne8 n THR 58 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1ne8 s HIS 59 N -1.52 3.53 -0.12 4.78 3.76 -0.82 -1.04 115.29 123.87 1ne8 s HIS 59 Ca 0.35 0.48 0.00 0.00 -0.15 0.00 0.00 55.06 55.74 1ne8 s HIS 59 Cb 0.19 -1.93 0.02 0.00 1.11 0.00 0.00 32.58 31.98 1ne8 s HIS 59 CO 0.27 0.68 -0.11 0.08 -0.85 0.00 0.00 174.74 174.82 1ne8 s VAL 60 N -0.95 1.23 0.26 -0.90 1.01 -0.65 -4.89 120.40 115.51 1ne8 s VAL 60 Ca 0.14 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.40 1ne8 s VAL 60 Cb -0.12 -1.19 -0.09 0.00 0.00 0.00 0.00 36.38 34.98 1ne8 s VAL 60 CO 0.04 0.40 1.23 -1.61 0.00 0.00 0.00 175.10 175.15 1ne8 s GLU 61 N 1.46 4.47 -0.27 2.72 2.02 -1.26 -0.72 118.70 127.11 1ne8 s GLU 61 Ca 0.02 2.00 -0.02 0.00 0.02 0.00 0.00 54.97 56.99 1ne8 s GLU 61 Cb -0.13 -3.16 0.04 0.00 0.10 0.00 0.00 34.13 30.97 1ne8 s GLU 61 CO -0.07 -0.08 -0.03 0.42 0.02 0.00 0.00 175.26 175.52 1ne8 s ILE 62 N -0.63 2.91 -0.17 -1.63 1.01 0.56 -4.92 121.20 118.33 1ne8 s ILE 62 Ca 0.50 -1.22 -0.29 0.00 0.00 0.00 0.00 60.65 59.64 1ne8 s ILE 62 Cb -0.36 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.51 1ne8 s ILE 62 CO 0.43 0.04 1.41 -0.62 0.00 0.00 0.00 174.94 176.20 1ne8 s ASP 63 N 1.28 6.75 0.16 3.58 -1.08 -1.26 -1.85 116.67 124.25 1ne8 s ASP 63 Ca -0.03 1.72 -0.15 0.00 -0.52 0.00 0.00 52.55 53.57 1ne8 s ASP 63 Cb -0.18 -2.54 0.08 0.00 -1.46 0.00 0.00 42.92 38.83 1ne8 s ASP 63 CO -0.03 -0.93 1.77 0.00 0.52 0.00 0.00 175.17 176.50 1ne8 h ALA 64 N 9.06 0.50 -0.35 3.66 0.00 -1.84 -2.12 119.26 128.17 1ne8 h ALA 64 Ca -0.30 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1ne8 h ALA 64 Cb 1.13 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1ne8 h ALA 64 CO 0.98 -0.20 0.14 1.57 0.00 0.00 0.00 179.25 181.74 1ne8 h LYS 65 N 0.36 0.52 -0.73 0.00 5.09 -1.91 -0.90 116.57 119.00 1ne8 h LYS 65 Ca 0.18 -0.10 -0.04 0.00 0.09 0.00 0.00 60.65 60.78 1ne8 h LYS 65 Cb 0.13 -0.08 -0.03 0.00 0.10 0.00 0.00 32.23 32.34 1ne8 h LYS 65 CO -0.16 0.51 0.29 -0.09 -2.09 0.00 0.00 179.45 177.91 1ne8 h ARG 66 N 0.41 1.09 -0.16 0.07 2.43 -1.85 -3.34 114.38 113.03 1ne8 h ARG 66 Ca 0.12 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1ne8 h ARG 66 Cb 0.19 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1ne8 h ARG 66 CO -0.01 0.88 0.00 0.66 -1.51 0.00 0.00 179.97 180.00 1ne8 n TYR 67 N -4.29 0.21 -1.26 2.20 4.02 -0.83 -5.00 117.16 112.21 1ne8 n TYR 67 Ca 0.06 -0.29 0.00 0.00 -0.01 0.00 0.00 57.90 57.66 1ne8 n TYR 67 Cb 0.18 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.49 1ne8 n TYR 67 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ne8 n GLY 68 N 0.37 0.59 3.95 2.72 0.00 -0.39 -4.87 105.19 107.55 1ne8 n GLY 68 Ca 0.07 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 45.05 1ne8 n GLY 68 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ne8 s PHE 69 N -2.00 3.48 0.21 1.61 0.40 -0.91 -4.90 117.98 115.88 1ne8 s PHE 69 Ca 0.00 0.25 0.05 0.00 -0.60 0.00 0.00 56.93 56.62 1ne8 s PHE 69 Cb 0.00 -1.80 0.16 0.00 0.51 0.00 0.00 43.02 41.89 1ne8 s PHE 69 CO 0.00 0.27 1.50 0.93 0.70 0.00 0.00 175.22 178.62 1ne8 h GLU 70 N 1.19 0.19 -3.55 0.44 4.39 -1.98 -3.40 114.58 111.86 1ne8 h GLU 70 Ca -0.50 -0.16 -0.17 0.00 0.34 0.00 0.00 59.36 58.88 1ne8 h GLU 70 Cb 1.21 0.03 -0.23 0.00 -0.10 0.00 0.00 28.75 29.67 1ne8 h GLU 70 CO 0.63 0.82 -0.55 1.03 -1.16 0.00 0.00 179.01 179.78 1ne8 s ARG 71 N -3.52 0.35 0.10 2.33 0.52 -1.26 -4.95 118.95 112.51 1ne8 s ARG 71 Ca -0.03 -0.23 -0.34 0.00 -0.52 0.00 0.00 55.73 54.61 1ne8 s ARG 71 Cb 0.11 0.14 -0.14 0.00 0.52 0.00 0.00 34.95 35.59 1ne8 s ARG 71 CO 0.80 -0.07 1.63 -0.25 0.02 0.00 0.00 175.30 177.44 1ne8 n ASP 72 N 2.00 3.09 -3.99 0.23 8.00 -1.26 -4.51 116.55 120.11 1ne8 n ASP 72 Ca -0.19 1.06 -0.24 0.00 0.71 0.00 0.00 54.79 56.12 1ne8 n ASP 72 Cb 0.57 -1.40 -0.08 0.00 -0.02 0.00 0.00 41.12 40.19 1ne8 n ASP 72 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1ne8 s SER 73 N 1.62 2.58 -0.04 -2.24 0.01 -0.77 -4.58 113.70 110.28 1ne8 s SER 73 Ca 0.82 -1.69 -0.00 0.00 1.31 0.00 0.00 55.95 56.39 1ne8 s SER 73 Cb -0.70 0.52 0.03 0.00 0.21 0.00 0.00 66.02 66.08 1ne8 s SER 73 CO 0.42 -0.96 0.01 -0.69 0.41 0.00 0.00 173.24 172.43 1ne8 s VAL 74 N -3.26 0.19 -0.09 3.43 1.01 0.02 -0.32 120.40 121.37 1ne8 s VAL 74 Ca 0.27 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.07 1ne8 s VAL 74 Cb 0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 1ne8 s VAL 74 CO 0.17 0.17 1.03 -0.63 0.00 0.00 0.00 175.10 175.84 1ne8 s ILE 75 N 1.29 4.72 -0.72 2.22 1.01 0.10 -1.06 121.20 128.75 1ne8 s ILE 75 Ca -0.06 1.98 -0.14 0.00 0.00 0.00 0.00 60.65 62.43 1ne8 s ILE 75 Cb -0.13 -4.28 0.19 0.00 0.01 0.00 0.00 42.46 38.25 1ne8 s ILE 75 CO -0.02 0.01 0.66 -0.76 0.00 0.00 0.00 174.94 174.83 1ne8 s LEU 76 N 2.00 6.51 0.00 2.97 1.43 -0.13 -1.64 118.68 129.82 1ne8 s LEU 76 Ca 0.49 -2.40 0.28 0.00 -1.03 0.00 0.00 54.13 51.47 1ne8 s LEU 76 Cb -0.19 -2.19 1.61 0.00 0.03 0.00 0.00 46.19 45.45 1ne8 s LEU 76 CO 0.19 -0.66 1.99 0.18 0.23 0.00 0.00 176.35 178.29 1ne8 n LEU 77 N 4.37 0.00 -0.36 1.79 7.99 -0.20 -1.28 117.00 129.30 1ne8 n LEU 77 Ca 0.05 0.05 0.13 0.00 -0.01 0.00 0.00 56.01 56.22 1ne8 n LEU 77 Cb 0.44 -0.05 0.33 0.00 -0.11 0.00 0.00 43.42 44.04 1ne8 n LEU 77 CO 0.40 -0.01 0.64 -1.84 -1.51 0.00 0.00 177.39 175.07 1ne8 n GLU 78 N -1.05 1.12 -3.85 3.23 0.00 -1.26 -4.59 120.64 114.24 1ne8 n GLU 78 Ca 0.20 -0.73 -0.30 0.00 0.00 0.00 0.00 57.16 56.33 1ne8 n GLU 78 Cb 0.12 -1.48 -0.11 0.00 0.00 0.00 0.00 31.44 29.96 1ne8 n GLU 78 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1ne8 s GLN 79 N -2.38 2.62 0.18 3.44 -1.52 -0.40 -5.08 119.66 116.52 1ne8 s GLN 79 Ca 0.26 -3.32 0.10 0.00 -1.95 0.00 0.00 55.36 50.45 1ne8 s GLN 79 Cb 0.19 -3.53 -0.04 0.00 -0.22 0.00 0.00 33.01 29.41 1ne8 s GLN 79 CO 0.48 -1.28 -0.17 0.96 -0.25 0.00 0.00 175.29 175.04 1ne8 s ILE 80 N -1.41 2.79 0.08 1.08 -4.36 -1.26 -1.46 121.20 116.65 1ne8 s ILE 80 Ca 0.25 -1.83 -0.26 0.00 -0.26 0.00 0.00 60.65 58.55 1ne8 s ILE 80 Cb -0.06 -2.36 0.08 0.00 1.25 0.00 0.00 42.46 41.38 1ne8 s ILE 80 CO -0.15 -0.11 0.77 0.00 0.24 0.00 0.00 174.94 175.69 1ne8 s ARG 81 N -2.73 1.05 -0.19 0.37 1.70 0.76 -4.98 118.95 114.93 1ne8 s ARG 81 Ca 0.23 -0.41 -0.21 0.00 -0.47 0.00 0.00 55.73 54.87 1ne8 s ARG 81 Cb -0.08 0.47 -0.02 0.00 -0.57 0.00 0.00 34.95 34.74 1ne8 s ARG 81 CO 0.12 -0.46 0.65 0.99 -1.08 0.00 0.00 175.30 175.52 1ne8 s THR 82 N -3.41 5.01 0.05 4.99 2.01 -1.26 -0.38 115.64 122.65 1ne8 s THR 82 Ca 0.04 1.23 0.06 0.00 0.31 0.00 0.00 61.69 63.33 1ne8 s THR 82 Cb -0.01 -3.96 -0.02 0.00 0.01 0.00 0.00 72.50 68.51 1ne8 s THR 82 CO -0.10 0.11 -0.16 0.27 -0.69 0.00 0.00 174.62 174.05 1ne8 s ILE 83 N 1.88 1.31 0.36 1.82 -4.36 0.45 -4.96 121.20 117.71 1ne8 s ILE 83 Ca 0.30 -1.12 -0.28 0.00 -0.26 0.00 0.00 60.65 59.29 1ne8 s ILE 83 Cb -0.16 -1.18 -0.11 0.00 1.25 0.00 0.00 42.46 42.27 1ne8 s ILE 83 CO 0.11 0.04 1.45 -0.62 0.24 0.00 0.00 174.94 176.15 1ne8 s ASP 84 N -1.25 6.44 0.61 4.36 -1.08 -1.26 -0.88 116.67 123.62 1ne8 s ASP 84 Ca 0.03 2.96 0.41 0.00 -0.52 0.00 0.00 52.55 55.44 1ne8 s ASP 84 Cb -0.08 -2.66 2.22 0.00 -1.46 0.00 0.00 42.92 40.93 1ne8 s ASP 84 CO 0.02 -0.80 2.26 0.11 0.52 0.00 0.00 175.17 177.28 1ne8 h LYS 85 N 3.16 0.00 0.00 4.34 1.57 -1.62 -2.14 116.57 121.87 1ne8 h LYS 85 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1ne8 h LYS 85 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1ne8 h LYS 85 CO 0.65 0.00 0.00 1.96 -0.57 0.00 0.00 179.45 181.49 1ne8 h GLN 86 N 0.00 0.00 0.00 3.15 4.20 -1.90 -0.74 115.11 119.82 1ne8 h GLN 86 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ne8 h GLN 86 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1ne8 h GLN 86 CO 0.00 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.16 1ne8 h ARG 87 N 0.00 0.00 -6.79 1.46 3.08 -1.72 -3.46 114.38 106.95 1ne8 h ARG 87 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 1ne8 h ARG 87 Cb 0.14 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1ne8 h ARG 87 CO 0.00 0.00 0.36 -0.51 -1.07 0.00 0.00 179.97 178.75 1ne8 s LEU 88 N -5.46 4.57 0.00 3.04 1.43 -0.29 -1.82 118.68 120.16 1ne8 s LEU 88 Ca 0.03 1.95 0.00 0.00 -1.03 0.00 0.00 54.13 55.08 1ne8 s LEU 88 Cb 0.09 -3.71 0.00 0.00 0.03 0.00 0.00 46.19 42.60 1ne8 s LEU 88 CO 0.50 0.08 0.00 0.35 0.23 0.00 0.00 176.35 177.51 1ne8 n THR 89 N 1.25 0.00 -2.73 5.49 -2.24 -0.23 -4.99 114.28 110.83 1ne8 n THR 89 Ca -0.01 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.37 1ne8 n THR 89 Cb 0.48 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.65 1ne8 n THR 89 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ne8 s ASP 90 N 1.00 7.60 0.05 3.42 1.01 -1.26 -4.83 116.67 123.66 1ne8 s ASP 90 Ca 0.00 1.93 -0.26 0.00 0.71 0.00 0.00 52.55 54.93 1ne8 s ASP 90 Cb 0.00 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.27 1ne8 s ASP 90 CO 0.00 0.10 0.81 -0.75 0.21 0.00 0.00 175.17 175.54 1ne8 s LYS 91 N -0.93 4.53 -0.24 8.23 2.20 -1.26 -1.13 119.74 131.14 1ne8 s LYS 91 Ca 0.43 1.15 -0.08 0.00 -0.36 0.00 0.00 55.97 57.10 1ne8 s LYS 91 Cb -0.26 -3.38 -0.12 0.00 -1.51 0.00 0.00 37.83 32.57 1ne8 s LYS 91 CO 0.32 0.23 -0.28 -0.89 -0.36 0.00 0.00 175.35 174.37 1ne8 n ILE 92 N 2.94 1.34 -3.67 5.43 5.41 0.91 -4.97 119.36 126.75 1ne8 n ILE 92 Ca -0.01 -0.39 -0.01 0.00 1.00 0.00 0.00 62.75 63.34 1ne8 n ILE 92 Cb 0.50 -1.67 0.01 0.00 -0.71 0.00 0.00 39.64 37.77 1ne8 n ILE 92 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 1ne8 n THR 93 N -3.81 0.00 -3.83 1.39 5.66 -1.15 -5.01 114.28 107.54 1ne8 n THR 93 Ca -0.46 -0.21 -0.22 0.00 -3.05 0.00 0.00 64.05 60.12 1ne8 n THR 93 Cb 0.87 0.31 -0.17 0.00 -1.55 0.00 0.00 70.33 69.79 1ne8 n THR 93 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 1ne8 s HIS 94 N -4.10 0.58 0.24 1.09 2.46 -1.26 0.06 115.29 114.36 1ne8 s HIS 94 Ca 0.10 -0.11 -0.25 0.00 0.47 0.00 0.00 55.06 55.26 1ne8 s HIS 94 Cb -0.01 -0.71 -0.09 0.00 -0.13 0.00 0.00 32.58 31.65 1ne8 s HIS 94 CO 0.02 -0.27 0.85 -0.51 -2.47 0.00 0.00 174.74 172.35 1ne8 s LEU 95 N 1.73 4.48 1.00 8.88 1.43 -0.00 -4.97 118.68 131.23 1ne8 s LEU 95 Ca 0.01 1.71 -0.14 0.00 -1.03 0.00 0.00 54.13 54.68 1ne8 s LEU 95 Cb -0.13 -3.63 0.19 0.00 0.03 0.00 0.00 46.19 42.65 1ne8 s LEU 95 CO -0.04 0.08 1.14 1.51 0.23 0.00 0.00 176.35 179.28 1ne8 s ASP 96 N -1.40 2.68 0.38 2.29 1.47 -1.26 -4.76 116.67 116.07 1ne8 s ASP 96 Ca 0.43 0.85 0.13 0.00 1.18 0.00 0.00 52.55 55.14 1ne8 s ASP 96 Cb -0.21 -1.32 0.77 0.00 -0.34 0.00 0.00 42.92 41.82 1ne8 s ASP 96 CO 0.25 -3.06 1.85 0.44 0.68 0.00 0.00 175.17 175.34 1ne8 h ASP 97 N -1.85 0.00 -0.24 2.11 3.32 -1.98 -0.94 116.42 116.84 1ne8 h ASP 97 Ca -0.50 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.51 1ne8 h ASP 97 Cb 1.31 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 1ne8 h ASP 97 CO 0.52 0.34 -0.01 -0.33 -1.72 0.00 0.00 179.24 178.04 1ne8 h GLU 98 N 0.00 0.44 -0.60 3.56 5.08 -2.00 -0.37 114.58 120.68 1ne8 h GLU 98 Ca -0.00 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1ne8 h GLU 98 Cb 0.60 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1ne8 h GLU 98 CO 0.04 0.62 0.26 1.98 -1.00 0.00 0.00 179.01 180.92 1ne8 h MET 99 N 0.21 0.89 -0.02 2.33 4.05 -1.85 -3.07 114.93 117.46 1ne8 h MET 99 Ca 0.07 -0.15 -0.06 0.00 -0.28 0.00 0.00 59.70 59.29 1ne8 h MET 99 Cb 0.43 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.07 1ne8 h MET 99 CO 0.01 0.74 -0.25 0.52 0.23 0.00 0.00 176.91 178.16 1ne8 h MET 100 N 0.83 0.03 -0.91 0.39 2.86 -1.01 -1.49 114.93 115.63 1ne8 h MET 100 Ca 0.20 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.85 1ne8 h MET 100 Cb 0.16 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.77 1ne8 h MET 100 CO -0.02 0.28 0.60 -0.44 1.06 0.00 0.00 176.91 178.39 1ne8 h ASP 101 N 0.03 1.03 -0.48 1.22 3.32 -0.97 0.42 116.42 120.98 1ne8 h ASP 101 Ca 0.00 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 56.91 1ne8 h ASP 101 Cb 0.46 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1ne8 h ASP 101 CO 0.03 0.73 -0.18 0.11 -1.72 0.00 0.00 179.24 178.21 1ne8 h LYS 102 N 1.20 0.99 -0.52 3.56 1.57 -1.29 -2.33 116.57 119.75 1ne8 h LYS 102 Ca 0.34 -0.40 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1ne8 h LYS 102 Cb -0.09 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1ne8 h LYS 102 CO -0.09 1.08 0.20 0.28 -0.57 0.00 0.00 179.45 180.35 1ne8 h VAL 103 N 0.86 1.22 -0.59 0.50 2.07 -0.95 -1.51 116.25 117.84 1ne8 h VAL 103 Ca 0.12 -0.69 0.03 0.00 0.82 0.00 0.00 66.70 66.98 1ne8 h VAL 103 Cb 0.75 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 1ne8 h VAL 103 CO 0.06 0.26 0.36 0.44 0.02 0.00 0.00 177.57 178.71 1ne8 h ASP 104 N 0.71 0.57 -0.52 0.57 3.32 -0.04 0.45 116.42 121.47 1ne8 h ASP 104 Ca 0.17 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.24 1ne8 h ASP 104 Cb 0.21 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 1ne8 h ASP 104 CO -0.01 0.40 0.33 -0.33 -1.72 0.00 0.00 179.24 177.91 1ne8 h GLU 105 N 0.70 0.65 -0.61 3.56 5.08 -1.21 -0.34 114.58 122.41 1ne8 h GLU 105 Ca 0.24 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.48 1ne8 h GLU 105 Cb 0.04 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1ne8 h GLU 105 CO -0.11 0.43 0.06 0.00 -1.00 0.00 0.00 179.01 178.39 1ne8 h ALA 106 N 1.21 0.95 -0.69 3.43 0.00 -0.63 -1.48 119.26 122.05 1ne8 h ALA 106 Ca 0.20 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1ne8 h ALA 106 Cb -0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1ne8 h ALA 106 CO -0.06 0.65 0.23 1.25 0.00 0.00 0.00 179.25 181.31 1ne8 h LEU 107 N 0.95 1.00 -0.74 0.00 5.85 -0.60 0.95 115.31 122.72 1ne8 h LEU 107 Ca 0.18 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1ne8 h LEU 107 Cb 0.47 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1ne8 h LEU 107 CO 0.02 0.93 0.39 1.56 -0.34 0.00 0.00 178.44 181.00 1ne8 h GLN 108 N 1.01 1.05 -0.21 1.25 4.20 -0.79 -1.08 115.11 120.54 1ne8 h GLN 108 Ca 0.22 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 1ne8 h GLN 108 Cb 0.28 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1ne8 h GLN 108 CO -0.01 0.80 0.10 0.82 -0.67 0.00 0.00 178.83 179.88 1ne8 h ILE 109 N 1.04 1.13 -0.72 2.54 2.04 -0.95 0.31 117.51 122.90 1ne8 h ILE 109 Ca 0.26 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1ne8 h ILE 109 Cb 0.07 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1ne8 h ILE 109 CO -0.04 0.12 0.40 -1.28 0.00 0.00 0.00 178.15 177.35 1ne8 h SER 110 N 0.21 0.88 -0.45 1.72 0.87 -0.45 -2.73 113.55 113.61 1ne8 h SER 110 Ca 0.07 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1ne8 h SER 110 Cb 0.10 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 1ne8 h SER 110 CO -0.01 0.70 0.00 0.18 -0.53 0.00 0.00 176.83 177.17 1ne8 n LEU 111 N -4.37 4.26 -3.72 2.23 4.77 -0.44 -4.96 117.00 114.76 1ne8 n LEU 111 Ca 0.07 -2.63 -0.22 0.00 -0.03 0.00 0.00 56.01 53.20 1ne8 n LEU 111 Cb 0.09 -0.52 0.03 0.00 -2.33 0.00 0.00 43.42 40.69 1ne8 n LEU 111 CO 0.38 0.72 -0.09 0.00 -1.33 0.00 0.00 177.39 177.07 1ne8 n ALA 112 N 0.37 -2.05 -1.73 -1.18 0.00 -0.48 -4.92 120.51 110.52 1ne8 n ALA 112 Ca 0.22 -0.18 0.02 0.00 0.00 0.00 0.00 53.44 53.50 1ne8 n ALA 112 Cb 0.85 -2.02 0.17 0.00 0.00 0.00 0.00 19.45 18.45 1ne8 n ALA 112 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ne8 n LEU 113 N -4.26 2.87 -4.70 0.00 4.77 0.96 -5.03 117.00 111.61 1ne8 n LEU 113 Ca -0.29 -3.88 -0.42 0.00 -0.03 0.00 0.00 56.01 51.39 1ne8 n LEU 113 Cb 0.68 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1ne8 n LEU 113 CO 0.69 1.43 1.33 -0.63 -1.33 0.00 0.00 177.39 178.88 1ne8 s ILE 114 N -3.20 2.75 -0.04 -0.08 1.01 -1.23 -4.84 121.20 115.57 1ne8 s ILE 114 Ca 0.39 0.36 0.06 0.00 0.00 0.00 0.00 60.65 61.47 1ne8 s ILE 114 Cb 0.38 -3.23 0.09 0.00 0.01 0.00 0.00 42.46 39.71 1ne8 s ILE 114 CO -0.06 0.01 0.98 -0.90 0.00 0.00 0.00 174.94 174.97 1ne8 n ASP 115 N 5.00 1.61 -0.02 3.58 5.68 -1.26 -5.10 116.55 126.03 1ne8 n ASP 115 Ca 0.16 -2.21 0.00 0.00 -0.50 0.00 0.00 54.79 52.23 1ne8 n ASP 115 Cb 0.39 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 1ne8 n ASP 115 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09