#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ne3 n ASP 2 N 0.00 1.33 -0.11 7.83 5.75 -1.26 -4.32 116.55 125.78 1ne3 n ASP 2 Ca 0.00 0.22 -0.13 0.00 -0.01 0.00 0.00 54.79 54.88 1ne3 n ASP 2 Cb 0.00 -0.25 -0.08 0.00 -1.03 0.00 0.00 41.12 39.76 1ne3 n ASP 2 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1ne3 h ASP 3 N 0.03 -1.68 -2.98 -1.12 3.32 -2.06 -3.39 116.42 108.54 1ne3 h ASP 3 Ca -0.40 0.23 -0.61 0.00 0.02 0.00 0.00 57.03 56.26 1ne3 h ASP 3 Cb 2.04 0.69 -0.05 0.00 0.22 0.00 0.00 39.33 42.24 1ne3 h ASP 3 CO 0.06 -0.41 -0.37 0.00 -1.72 0.00 0.00 179.24 176.79 1ne3 s ALA 4 N -5.74 3.85 -0.07 3.45 0.00 -1.26 -4.54 121.76 117.46 1ne3 s ALA 4 Ca -0.15 -0.60 -0.10 0.00 0.00 0.00 0.00 51.96 51.12 1ne3 s ALA 4 Cb 0.09 -2.06 -0.05 0.00 0.00 0.00 0.00 23.12 21.11 1ne3 s ALA 4 CO 0.63 0.67 0.25 0.99 0.00 0.00 0.00 175.76 178.30 1ne3 s THR 5 N -1.42 5.31 0.13 0.00 2.01 0.65 -4.73 115.64 117.60 1ne3 s THR 5 Ca 0.32 0.46 -0.30 0.00 0.31 0.00 0.00 61.69 62.48 1ne3 s THR 5 Cb -0.13 -3.53 -0.07 0.00 0.01 0.00 0.00 72.50 68.79 1ne3 s THR 5 CO 0.20 0.60 1.14 -2.16 -0.69 0.00 0.00 174.62 173.70 1ne3 s PRO 6 N -1.07 4.52 0.07 4.92 0.04 -1.26 -0.66 135.00 141.57 1ne3 s PRO 6 Ca 0.19 1.74 -0.16 0.00 0.04 0.00 0.00 61.00 62.81 1ne3 s PRO 6 Cb -0.14 -3.31 0.03 0.00 0.04 0.00 0.00 34.50 31.12 1ne3 s PRO 6 CO 0.08 -0.06 0.37 0.00 0.04 0.00 0.00 177.00 177.43 1ne3 s ALA 7 N 0.30 -0.86 -0.12 8.56 0.00 -0.96 -3.46 121.76 125.23 1ne3 s ALA 7 Ca 0.53 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.54 1ne3 s ALA 7 Cb -0.29 0.47 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 1ne3 s ALA 7 CO 0.33 -0.51 -0.08 -1.21 0.00 0.00 0.00 175.76 174.28 1ne3 s GLU 8 N -3.03 3.30 0.15 0.00 2.02 -1.25 -0.47 118.70 119.41 1ne3 s GLU 8 Ca -0.02 -0.59 -0.34 0.00 0.02 0.00 0.00 54.97 54.04 1ne3 s GLU 8 Cb 0.01 -2.71 -0.15 0.00 0.10 0.00 0.00 34.13 31.37 1ne3 s GLU 8 CO -0.06 0.35 1.32 0.28 0.02 0.00 0.00 175.26 177.17 1ne3 n VAL 9 N 3.15 0.47 -0.03 2.63 0.31 0.70 -3.72 118.33 121.85 1ne3 n VAL 9 Ca -0.18 -0.12 -0.04 0.00 -0.01 0.00 0.00 64.34 64.00 1ne3 n VAL 9 Cb 0.53 -1.04 -0.03 0.00 -0.91 0.00 0.00 33.84 32.39 1ne3 n VAL 9 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1ne3 n ILE 10 N 2.19 0.32 -4.19 2.52 -5.35 -0.09 0.49 119.36 115.25 1ne3 n ILE 10 Ca 0.16 -0.14 -0.19 0.00 -0.27 0.00 0.00 62.75 62.32 1ne3 n ILE 10 Cb 0.24 -0.73 -0.12 0.00 -1.74 0.00 0.00 39.64 37.29 1ne3 n ILE 10 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1ne3 s GLU 11 N -2.11 0.83 -0.04 6.28 2.12 -0.49 -4.77 118.70 120.53 1ne3 s GLU 11 Ca -0.07 -0.94 0.06 0.00 0.36 0.00 0.00 54.97 54.38 1ne3 s GLU 11 Cb 0.02 -0.84 -0.02 0.00 0.26 0.00 0.00 34.13 33.54 1ne3 s GLU 11 CO 0.14 0.19 -0.22 0.08 -0.54 0.00 0.00 175.26 174.90 1ne3 s VAL 12 N -1.24 2.34 -0.39 3.70 1.01 -1.26 0.24 120.40 124.80 1ne3 s VAL 12 Ca -0.02 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 60.87 1ne3 s VAL 12 Cb -0.10 -1.85 0.04 0.00 0.00 0.00 0.00 36.38 34.47 1ne3 s VAL 12 CO 0.02 0.58 0.23 -0.76 0.00 0.00 0.00 175.10 175.17 1ne3 s LEU 13 N -0.52 4.86 -0.05 3.92 2.01 -1.07 -4.84 118.68 122.99 1ne3 s LEU 13 Ca 0.07 -1.15 0.02 0.00 0.01 0.00 0.00 54.13 53.08 1ne3 s LEU 13 Cb -0.11 -2.02 0.02 0.00 0.01 0.00 0.00 46.19 44.09 1ne3 s LEU 13 CO 0.00 -0.44 -0.07 -0.75 1.01 0.00 0.00 176.35 176.10 1ne3 s LYS 14 N 1.52 1.08 -0.04 1.70 2.47 -1.26 -4.25 119.74 120.95 1ne3 s LYS 14 Ca 0.02 -0.22 0.04 0.00 -1.56 0.00 0.00 55.97 54.25 1ne3 s LYS 14 Cb -0.20 -0.99 -0.00 0.00 -1.46 0.00 0.00 37.83 35.17 1ne3 s LYS 14 CO 0.05 -0.02 -0.18 0.50 0.16 0.00 0.00 175.35 175.87 1ne3 s ARG 15 N 0.71 1.84 -0.38 4.03 6.06 -1.26 -5.10 118.95 124.85 1ne3 s ARG 15 Ca -0.11 -0.63 -0.26 0.00 -2.50 0.00 0.00 55.73 52.22 1ne3 s ARG 15 Cb -0.14 -1.60 0.02 0.00 0.06 0.00 0.00 34.95 33.29 1ne3 s ARG 15 CO 0.01 0.25 0.96 0.99 -2.50 0.00 0.00 175.30 175.01 1ne3 s THR 16 N 0.02 4.54 0.00 4.11 2.01 -1.26 -4.82 115.64 120.25 1ne3 s THR 16 Ca -0.04 1.22 0.00 0.00 0.31 0.00 0.00 61.69 63.18 1ne3 s THR 16 Cb -0.12 -4.37 0.00 0.00 0.01 0.00 0.00 72.50 68.02 1ne3 s THR 16 CO 0.02 -0.59 0.00 0.61 -0.69 0.00 0.00 174.62 173.97 1ne3 n GLY 17 N 4.40 0.31 7.00 4.40 0.00 -1.26 -5.12 105.19 114.92 1ne3 n GLY 17 Ca 0.08 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 44.00 1ne3 n GLY 17 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1ne3 n MET 18 N 0.00 0.00 -3.46 1.61 3.85 -1.26 -4.69 117.12 113.17 1ne3 n MET 18 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 57.70 56.44 1ne3 n MET 18 Cb 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 33.22 32.05 1ne3 n MET 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1ne3 s THR 19 N 0.00 -0.06 -0.30 3.17 2.01 -1.26 -5.11 115.64 114.09 1ne3 s THR 19 Ca 0.00 -1.16 -0.09 0.00 0.31 0.00 0.00 61.69 60.74 1ne3 s THR 19 Cb 0.00 -0.99 -0.01 0.00 0.01 0.00 0.00 72.50 71.51 1ne3 s THR 19 CO 0.00 -0.79 0.15 -0.83 -0.69 0.00 0.00 174.62 172.46 1ne3 s GLY 20 N 1.60 1.86 0.08 4.40 0.00 -1.26 -4.98 107.32 109.02 1ne3 s GLY 20 Ca 0.14 -1.33 -0.24 0.00 0.00 0.00 0.00 44.72 43.29 1ne3 s GLY 20 CO -0.15 0.67 1.71 -2.09 0.00 0.00 0.00 173.10 173.24 1ne3 h GLU 21 N 8.34 -0.11 -6.50 2.90 4.81 -2.02 -3.42 114.58 118.57 1ne3 h GLU 21 Ca -0.33 0.01 -0.69 0.00 -0.13 0.00 0.00 59.36 58.22 1ne3 h GLU 21 Cb 1.15 0.02 -0.22 0.00 0.63 0.00 0.00 28.75 30.34 1ne3 h GLU 21 CO 0.61 -0.06 -0.79 0.08 -0.73 0.00 0.00 179.01 178.11 1ne3 s VAL 22 N -6.11 2.88 0.13 0.32 1.01 -1.26 -4.96 120.40 112.41 1ne3 s VAL 22 Ca -0.14 -1.06 -0.22 0.00 0.00 0.00 0.00 61.98 60.56 1ne3 s VAL 22 Cb 0.06 -2.19 -0.07 0.00 0.00 0.00 0.00 36.38 34.17 1ne3 s VAL 22 CO 0.65 0.40 0.68 -0.32 0.00 0.00 0.00 175.10 176.52 1ne3 s MET 23 N -1.26 4.39 -0.10 2.72 1.75 -0.95 -4.86 119.30 121.00 1ne3 s MET 23 Ca 0.14 0.96 -0.04 0.00 -1.25 0.00 0.00 55.69 55.50 1ne3 s MET 23 Cb -0.11 -3.23 -0.04 0.00 2.84 0.00 0.00 34.83 34.30 1ne3 s MET 23 CO 0.04 0.59 0.06 1.14 -0.65 0.00 0.00 175.02 176.21 1ne3 s GLN 24 N -1.18 3.17 0.15 4.11 -2.07 -1.26 -1.21 119.66 121.37 1ne3 s GLN 24 Ca 0.33 -0.30 0.07 0.00 -1.82 0.00 0.00 55.36 53.64 1ne3 s GLN 24 Cb -0.21 -2.95 -0.04 0.00 -1.09 0.00 0.00 33.01 28.71 1ne3 s GLN 24 CO 0.23 0.73 -0.14 0.54 -1.32 0.00 0.00 175.29 175.33 1ne3 s VAL 25 N -0.96 1.49 -0.16 3.63 0.11 -1.02 -2.58 120.40 120.92 1ne3 s VAL 25 Ca 0.14 -1.94 -0.05 0.00 -2.93 0.00 0.00 61.98 57.21 1ne3 s VAL 25 Cb -0.12 -1.77 -0.03 0.00 -1.53 0.00 0.00 36.38 32.93 1ne3 s VAL 25 CO 0.04 -0.50 0.01 -0.75 -3.33 0.00 0.00 175.10 170.56 1ne3 s LYS 26 N -3.12 3.71 -0.04 1.54 2.20 0.66 -2.37 119.74 122.34 1ne3 s LYS 26 Ca 0.15 -0.43 -0.01 0.00 -0.36 0.00 0.00 55.97 55.32 1ne3 s LYS 26 Cb -0.03 -3.02 0.03 0.00 -1.51 0.00 0.00 37.83 33.30 1ne3 s LYS 26 CO 0.04 0.32 0.03 0.00 -0.36 0.00 0.00 175.35 175.38 1ne3 s ARG 28 N 1.57 3.92 0.33 0.00 3.52 -1.24 -3.29 118.95 123.76 1ne3 s ARG 28 Ca -0.02 0.34 -0.26 0.00 -0.13 0.00 0.00 55.73 55.65 1ne3 s ARG 28 Cb -0.13 -3.25 -0.13 0.00 -1.56 0.00 0.00 34.95 29.88 1ne3 s ARG 28 CO -0.03 0.63 0.93 -0.89 -0.81 0.00 0.00 175.30 175.13 1ne3 n ILE 29 N 2.08 2.06 -0.07 4.11 5.41 0.50 -3.96 119.36 129.49 1ne3 n ILE 29 Ca -0.14 -0.50 -0.07 0.00 1.00 0.00 0.00 62.75 63.04 1ne3 n ILE 29 Cb 0.52 -0.93 -0.11 0.00 -0.71 0.00 0.00 39.64 38.41 1ne3 n ILE 29 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1ne3 n LEU 30 N 1.11 0.00 -3.61 1.39 4.77 -1.22 -3.66 117.00 115.77 1ne3 n LEU 30 Ca 0.10 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.05 1ne3 n LEU 30 Cb 0.34 0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 41.71 1ne3 n LEU 30 CO 0.58 0.34 0.59 1.51 -1.33 0.00 0.00 177.39 179.08 1ne3 s ASP 31 N -4.70 -0.63 0.00 -1.43 1.47 -1.25 -4.89 116.67 105.24 1ne3 s ASP 31 Ca -0.07 0.98 0.00 0.00 1.18 0.00 0.00 52.55 54.64 1ne3 s ASP 31 Cb 0.04 1.36 0.00 0.00 -0.34 0.00 0.00 42.92 43.98 1ne3 s ASP 31 CO 0.57 -0.15 0.00 0.61 0.68 0.00 0.00 175.17 176.88 1ne3 n GLY 32 N 4.08 -1.63 0.22 2.12 0.00 -1.26 -4.48 105.19 104.24 1ne3 n GLY 32 Ca -0.17 -1.09 0.05 0.00 0.00 0.00 0.00 46.02 44.81 1ne3 n GLY 32 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ne3 h ARG 33 N 0.00 0.00 0.14 1.61 9.65 -2.02 -2.71 114.38 121.05 1ne3 h ARG 33 Ca 0.00 -0.00 -0.35 0.00 -1.10 0.00 0.00 59.98 58.53 1ne3 h ARG 33 Cb 0.00 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 1ne3 h ARG 33 CO 0.00 0.20 -1.87 -0.44 2.80 0.00 0.00 179.97 180.66 1ne3 h ASP 34 N 0.00 0.45 -5.75 -3.80 5.19 -2.01 -3.50 116.42 107.01 1ne3 h ASP 34 Ca -0.00 -0.85 0.00 0.00 -0.62 0.00 0.00 57.03 55.55 1ne3 h ASP 34 Cb 0.35 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.71 1ne3 h ASP 34 CO 0.03 1.75 -0.38 1.17 -3.12 0.00 0.00 179.24 178.68 1ne3 n LYS 35 N -3.49 -0.79 0.00 3.56 4.81 -1.02 -4.25 118.16 116.98 1ne3 n LYS 35 Ca -0.27 0.95 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 1ne3 n LYS 35 Cb 1.06 -0.81 0.00 0.00 0.02 0.00 0.00 35.03 35.30 1ne3 n LYS 35 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ne3 n GLY 36 N 1.91 1.06 3.72 3.14 0.00 -1.24 -4.98 105.19 108.80 1ne3 n GLY 36 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ne3 n GLY 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ne3 s ARG 37 N -0.20 4.15 -0.18 1.61 3.00 -1.26 -4.47 118.95 121.59 1ne3 s ARG 37 Ca 0.00 2.55 0.00 0.00 0.00 0.00 0.00 55.73 58.28 1ne3 s ARG 37 Cb 0.00 -3.09 0.01 0.00 0.00 0.00 0.00 34.95 31.87 1ne3 s ARG 37 CO 0.00 -0.71 -0.17 0.42 0.00 0.00 0.00 175.30 174.84 1ne3 s ILE 38 N 1.11 2.31 0.05 1.52 1.01 -1.26 0.19 121.20 126.12 1ne3 s ILE 38 Ca 0.73 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 60.51 1ne3 s ILE 38 Cb -0.48 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 1ne3 s ILE 38 CO 0.33 0.52 -0.01 -0.76 0.00 0.00 0.00 174.94 175.02 1ne3 s LEU 39 N 1.28 2.35 -0.17 2.97 2.01 -1.21 -5.03 118.68 120.87 1ne3 s LEU 39 Ca 0.04 -0.88 -0.09 0.00 0.01 0.00 0.00 54.13 53.21 1ne3 s LEU 39 Cb -0.13 0.26 -0.05 0.00 0.01 0.00 0.00 46.19 46.28 1ne3 s LEU 39 CO -0.10 -0.56 0.13 0.42 1.01 0.00 0.00 176.35 177.24 1ne3 s THR 40 N -3.51 5.40 0.03 5.49 -4.23 -1.26 -3.14 115.64 114.42 1ne3 s THR 40 Ca 0.03 0.18 0.09 0.00 -1.18 0.00 0.00 61.69 60.81 1ne3 s THR 40 Cb 0.05 -3.43 -0.03 0.00 1.34 0.00 0.00 72.50 70.43 1ne3 s THR 40 CO -0.09 0.50 -0.25 -0.13 -0.54 0.00 0.00 174.62 174.11 1ne3 s ARG 41 N -0.06 1.92 -0.16 3.99 3.00 -1.00 -4.99 118.95 121.66 1ne3 s ARG 41 Ca 0.10 -1.04 -0.23 0.00 0.00 0.00 0.00 55.73 54.56 1ne3 s ARG 41 Cb -0.11 -2.03 -0.02 0.00 0.00 0.00 0.00 34.95 32.78 1ne3 s ARG 41 CO -0.00 0.53 0.72 1.21 0.00 0.00 0.00 175.30 177.76 1ne3 s ASN 42 N -1.12 6.85 -0.07 0.23 3.84 -1.26 -2.44 114.94 120.97 1ne3 s ASN 42 Ca 0.12 1.03 -0.03 0.00 0.21 0.00 0.00 52.86 54.18 1ne3 s ASN 42 Cb -0.10 -2.40 0.04 0.00 -0.55 0.00 0.00 41.25 38.23 1ne3 s ASN 42 CO 0.02 -0.29 0.16 0.54 -2.79 0.00 0.00 177.10 174.73 1ne3 s VAL 43 N 1.80 -0.04 -0.21 -5.21 0.11 -0.35 -5.03 120.40 111.47 1ne3 s VAL 43 Ca 0.34 0.15 -0.14 0.00 -2.93 0.00 0.00 61.98 59.41 1ne3 s VAL 43 Cb -0.16 -0.26 -0.04 0.00 -1.53 0.00 0.00 36.38 34.38 1ne3 s VAL 43 CO 0.12 0.06 0.29 -0.32 -3.33 0.00 0.00 175.10 171.93 1ne3 s MET 44 N 1.04 4.15 0.00 1.54 1.75 -1.26 -2.23 119.30 124.29 1ne3 s MET 44 Ca -0.08 0.01 0.00 0.00 -1.25 0.00 0.00 55.69 54.37 1ne3 s MET 44 Cb -0.10 -3.52 0.00 0.00 2.84 0.00 0.00 34.83 34.05 1ne3 s MET 44 CO -0.06 0.04 0.00 0.41 -0.65 0.00 0.00 175.02 174.77 1ne3 n GLY 45 N 3.97 1.54 3.56 2.11 0.00 -1.26 -4.95 105.19 110.16 1ne3 n GLY 45 Ca -0.11 -2.18 -0.34 0.00 0.00 0.00 0.00 46.02 43.38 1ne3 n GLY 45 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ne3 s PRO 46 N -1.35 3.08 -0.12 1.61 0.04 -1.26 -4.84 135.00 132.15 1ne3 s PRO 46 Ca 0.00 -0.66 0.01 0.00 0.04 0.00 0.00 61.00 60.39 1ne3 s PRO 46 Cb 0.00 -5.16 0.02 0.00 0.04 0.00 0.00 34.50 29.40 1ne3 s PRO 46 CO 0.00 -2.75 -0.13 -1.50 0.04 0.00 0.00 177.00 172.66 1ne3 s ILE 47 N 7.44 1.40 0.22 0.56 1.10 -1.26 -5.13 121.20 125.54 1ne3 s ILE 47 Ca 0.57 -0.55 0.04 0.00 -0.51 0.00 0.00 60.65 60.21 1ne3 s ILE 47 Cb -0.04 -1.32 -0.05 0.00 0.15 0.00 0.00 42.46 41.21 1ne3 s ILE 47 CO -0.04 0.43 -0.04 0.00 -2.11 0.00 0.00 174.94 173.18 1ne3 s ARG 48 N 1.32 1.33 0.07 3.50 3.03 -1.26 -4.91 118.95 122.03 1ne3 s ARG 48 Ca -0.00 -1.66 -0.25 0.00 2.03 0.00 0.00 55.73 55.85 1ne3 s ARG 48 Cb -0.14 -0.74 -0.14 0.00 -1.03 0.00 0.00 34.95 32.91 1ne3 s ARG 48 CO -0.06 -0.03 0.59 -0.85 -1.13 0.00 0.00 175.30 173.81 1ne3 n GLU 49 N -0.41 0.00 0.00 3.89 0.28 -1.26 -2.64 120.64 120.49 1ne3 n GLU 49 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.94 1ne3 n GLU 49 Cb 0.63 -0.92 0.00 0.00 1.43 0.00 0.00 31.44 32.58 1ne3 n GLU 49 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ne3 n GLY 50 N 1.27 2.10 3.83 -1.84 0.00 0.18 -4.92 105.19 105.82 1ne3 n GLY 50 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1ne3 n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ne3 s ASP 51 N -1.73 6.03 -0.19 1.61 1.01 -1.08 -4.56 116.67 117.76 1ne3 s ASP 51 Ca 0.00 1.60 -0.08 0.00 0.71 0.00 0.00 52.55 54.78 1ne3 s ASP 51 Cb 0.00 -2.50 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 1ne3 s ASP 51 CO 0.00 -1.00 0.08 -0.63 0.21 0.00 0.00 175.17 173.84 1ne3 s ILE 52 N -2.83 5.00 0.17 0.77 1.01 -1.26 0.25 121.20 124.32 1ne3 s ILE 52 Ca 0.59 0.04 0.05 0.00 0.00 0.00 0.00 60.65 61.32 1ne3 s ILE 52 Cb -0.13 -3.26 -0.05 0.00 0.01 0.00 0.00 42.46 39.04 1ne3 s ILE 52 CO 0.44 0.46 -0.08 -0.76 0.00 0.00 0.00 174.94 175.00 1ne3 s LEU 53 N 0.32 2.45 -0.21 2.97 1.43 0.38 -4.96 118.68 121.07 1ne3 s LEU 53 Ca 0.05 -1.06 -0.12 0.00 -1.03 0.00 0.00 54.13 51.97 1ne3 s LEU 53 Cb -0.12 -0.36 -0.05 0.00 0.03 0.00 0.00 46.19 45.69 1ne3 s LEU 53 CO -0.01 -0.36 0.21 -0.04 0.23 0.00 0.00 176.35 176.39 1ne3 s MET 54 N -3.77 4.16 -0.41 1.70 -1.94 -1.26 -2.26 119.30 115.52 1ne3 s MET 54 Ca 0.20 -0.12 -0.16 0.00 -1.71 0.00 0.00 55.69 53.91 1ne3 s MET 54 Cb 0.03 -3.48 0.02 0.00 2.01 0.00 0.00 34.83 33.41 1ne3 s MET 54 CO 0.03 0.16 0.34 -0.51 -0.01 0.00 0.00 175.02 175.03 1ne3 s LEU 55 N 0.76 5.03 -0.10 -0.03 2.01 0.17 -4.84 118.68 121.67 1ne3 s LEU 55 Ca 0.11 -0.82 -0.04 0.00 0.01 0.00 0.00 54.13 53.38 1ne3 s LEU 55 Cb -0.13 -2.23 -0.04 0.00 0.01 0.00 0.00 46.19 43.81 1ne3 s LEU 55 CO 0.03 -0.49 0.07 -0.22 1.01 0.00 0.00 176.35 176.75 1ne3 s LEU 56 N 1.82 3.97 0.00 1.79 1.98 -1.26 -0.25 118.68 126.73 1ne3 s LEU 56 Ca 0.07 0.30 -0.33 0.00 -2.89 0.00 0.00 54.13 51.28 1ne3 s LEU 56 Cb -0.18 -1.94 -0.12 0.00 0.66 0.00 0.00 46.19 44.60 1ne3 s LEU 56 CO 0.11 0.39 1.82 -0.90 -1.89 0.00 0.00 176.35 175.88 1ne3 n ASP 57 N 2.05 3.50 -4.72 3.68 5.68 -1.26 -4.90 116.55 120.58 1ne3 n ASP 57 Ca -0.19 0.99 -0.42 0.00 -0.50 0.00 0.00 54.79 54.67 1ne3 n ASP 57 Cb 0.54 -1.42 -0.03 0.00 -1.14 0.00 0.00 41.12 39.08 1ne3 n ASP 57 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1ne3 s THR 58 N 3.26 3.70 -0.09 2.12 -1.32 -1.26 -5.02 115.64 117.03 1ne3 s THR 58 Ca 0.88 1.28 -0.02 0.00 -1.21 0.00 0.00 61.69 62.62 1ne3 s THR 58 Cb -0.64 -3.82 -0.03 0.00 -1.51 0.00 0.00 72.50 66.49 1ne3 s THR 58 CO 0.46 0.13 0.02 -0.63 -2.21 0.00 0.00 174.62 172.40 1ne3 s ILE 59 N 0.71 4.48 0.62 5.08 -1.09 -1.26 -5.09 121.20 124.64 1ne3 s ILE 59 Ca 0.58 -0.20 -0.17 0.00 -2.23 0.00 0.00 60.65 58.64 1ne3 s ILE 59 Cb -0.32 -2.90 -0.02 0.00 -1.58 0.00 0.00 42.46 37.63 1ne3 s ILE 59 CO 0.32 0.60 1.12 0.00 -1.23 0.00 0.00 174.94 175.74 1ne3 s ARG 60 N -0.94 3.01 -0.11 2.79 3.03 -1.26 -5.03 118.95 120.43 1ne3 s ARG 60 Ca 0.14 1.46 -0.04 0.00 2.03 0.00 0.00 55.73 59.32 1ne3 s ARG 60 Cb -0.11 -1.97 -0.04 0.00 -1.03 0.00 0.00 34.95 31.80 1ne3 s ARG 60 CO 0.03 -1.10 0.04 -1.21 -1.13 0.00 0.00 175.30 171.93 1ne3 s GLU 61 N -3.81 3.30 -0.18 3.89 2.02 -1.26 -5.09 118.70 117.57 1ne3 s GLU 61 Ca 0.69 -0.34 -0.15 0.00 0.02 0.00 0.00 54.97 55.19 1ne3 s GLU 61 Cb -0.22 -2.96 -0.04 0.00 0.10 0.00 0.00 34.13 31.01 1ne3 s GLU 61 CO 0.36 0.62 0.36 0.00 0.02 0.00 0.00 175.26 176.62 1ne3 s ALA 62 N -0.63 3.56 -0.12 5.21 0.00 -1.26 -5.04 121.76 123.48 1ne3 s ALA 62 Ca 0.11 -0.48 -0.29 0.00 0.00 0.00 0.00 51.96 51.29 1ne3 s ALA 62 Cb -0.12 -2.53 -0.02 0.00 0.00 0.00 0.00 23.12 20.45 1ne3 s ALA 62 CO 0.02 -0.12 1.19 0.21 0.00 0.00 0.00 175.76 177.06 1ne3 s LYS 63 N 0.92 4.30 0.02 0.00 2.47 -1.26 -5.02 119.74 121.17 1ne3 s LYS 63 Ca 0.18 1.60 -0.01 0.00 -1.56 0.00 0.00 55.97 56.18 1ne3 s LYS 63 Cb -0.14 -3.64 -0.04 0.00 -1.46 0.00 0.00 37.83 32.54 1ne3 s LYS 63 CO 0.07 -0.56 0.17 -2.00 0.16 0.00 0.00 175.35 173.19 1ne3 s GLU 64 N 2.80 3.35 -0.19 4.03 2.12 -1.26 -5.08 118.70 124.46 1ne3 s GLU 64 Ca 0.53 -0.41 -0.18 0.00 0.36 0.00 0.00 54.97 55.28 1ne3 s GLU 64 Cb -0.22 -3.02 -0.03 0.00 0.26 0.00 0.00 34.13 31.12 1ne3 s GLU 64 CO 0.17 0.64 0.48 0.42 -0.54 0.00 0.00 175.26 176.43 1ne3 s ILE 65 N -1.36 5.14 -0.01 -3.70 1.09 -1.26 -5.06 121.20 116.03 1ne3 s ILE 65 Ca 0.29 0.88 -0.11 0.00 -1.10 0.00 0.00 60.65 60.61 1ne3 s ILE 65 Cb -0.13 -3.81 -0.05 0.00 -1.06 0.00 0.00 42.46 37.41 1ne3 s ILE 65 CO 0.21 0.21 0.33 -0.60 -0.10 0.00 0.00 174.94 174.99 1ne3 s ARG 66 N 1.47 3.75 0.08 2.79 3.52 -1.26 -5.10 118.95 124.20 1ne3 s ARG 66 Ca 0.23 0.20 0.08 0.00 -0.13 0.00 0.00 55.73 56.11 1ne3 s ARG 66 Cb -0.15 -3.16 -0.03 0.00 -1.56 0.00 0.00 34.95 30.05 1ne3 s ARG 66 CO 0.09 0.68 -0.22 0.95 -0.81 0.00 0.00 175.30 176.00 1ne3 s THR 67 N -1.15 1.75 -2.00 4.11 -4.23 -1.26 -5.36 115.64 107.50 1ne3 s THR 67 Ca 0.24 -1.41 0.24 0.00 -1.18 0.00 0.00 61.69 59.58 1ne3 s THR 67 Cb -0.15 -1.56 0.68 0.00 1.34 0.00 0.00 72.50 72.82 1ne3 s THR 67 CO 0.13 0.08 1.80 -0.81 -0.54 0.00 0.00 174.62 175.27