#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 0.71 0.16 6.12 2.03 -1.26 -4.31 116.55 120.00 1ne3 n ASP 2 Ca 0.00 0.22 -0.14 0.00 0.52 0.00 0.00 54.79 55.39 1ne3 n ASP 2 Cb 0.00 0.25 -0.07 0.00 -0.72 0.00 0.00 41.12 40.58 1ne3 n ASP 2 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 1ne3 h ASP 3 N 0.01 -0.69 -4.26 1.67 2.03 -2.05 -3.43 116.42 109.70 1ne3 h ASP 3 Ca -0.41 0.07 -0.67 0.00 -0.73 0.00 0.00 57.03 55.29 1ne3 h ASP 3 Cb 2.10 0.24 -0.26 0.00 -0.83 0.00 0.00 39.33 40.58 1ne3 h ASP 3 CO 0.05 -0.37 -0.87 0.00 -1.03 0.00 0.00 179.24 177.03 1ne3 s ALA 4 N -6.07 2.14 -0.01 4.15 0.00 -1.26 -4.21 121.76 116.50 1ne3 s ALA 4 Ca -0.16 -1.24 -0.05 0.00 0.00 0.00 0.00 51.96 50.51 1ne3 s ALA 4 Cb 0.07 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 1ne3 s ALA 4 CO 0.64 0.50 0.22 -0.08 0.00 0.00 0.00 175.76 177.04 1ne3 s THR 5 N -0.83 5.38 -0.41 0.00 -1.32 -0.86 -4.40 115.64 113.20 1ne3 s THR 5 Ca 0.11 0.05 -0.29 0.00 -1.21 0.00 0.00 61.69 60.35 1ne3 s THR 5 Cb -0.10 -3.54 0.01 0.00 -1.51 0.00 0.00 72.50 67.36 1ne3 s THR 5 CO 0.02 0.38 1.41 -2.16 -2.21 0.00 0.00 174.62 172.06 1ne3 s PRO 6 N -1.75 3.57 0.13 7.08 0.04 -1.26 -2.82 135.00 140.00 1ne3 s PRO 6 Ca 0.26 0.94 0.06 0.00 0.04 0.00 0.00 61.00 62.30 1ne3 s PRO 6 Cb -0.13 -4.03 -0.04 0.00 0.04 0.00 0.00 34.50 30.35 1ne3 s PRO 6 CO 0.16 -1.57 -0.14 0.00 0.04 0.00 0.00 177.00 175.49 1ne3 s ALA 7 N 5.44 1.57 -0.11 8.56 0.00 -1.05 -3.72 121.76 132.45 1ne3 s ALA 7 Ca 0.61 -1.35 0.01 0.00 0.00 0.00 0.00 51.96 51.24 1ne3 s ALA 7 Cb -0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 1ne3 s ALA 7 CO 0.33 0.10 -0.14 -1.21 0.00 0.00 0.00 175.76 174.83 1ne3 s GLU 8 N -2.81 3.20 0.19 0.00 2.02 -1.25 -0.15 118.70 119.89 1ne3 s GLU 8 Ca 0.11 -0.71 -0.33 0.00 0.02 0.00 0.00 54.97 54.07 1ne3 s GLU 8 Cb -0.04 -2.55 -0.15 0.00 0.10 0.00 0.00 34.13 31.48 1ne3 s GLU 8 CO 0.03 0.29 1.29 0.28 0.02 0.00 0.00 175.26 177.17 1ne3 n VAL 9 N 3.30 0.76 -0.03 2.63 0.31 0.54 -3.61 118.33 122.22 1ne3 n VAL 9 Ca -0.18 -0.19 -0.05 0.00 -0.01 0.00 0.00 64.34 63.91 1ne3 n VAL 9 Cb 0.53 -1.11 -0.03 0.00 -0.91 0.00 0.00 33.84 32.32 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 1.87 0.40 -4.30 2.52 -5.35 0.07 0.77 119.36 115.34 1ne3 n ILE 10 Ca 0.14 -0.15 -0.20 0.00 -0.27 0.00 0.00 62.75 62.28 1ne3 n ILE 10 Cb 0.27 -0.78 -0.13 0.00 -1.74 0.00 0.00 39.64 37.25 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 -2.14 0.91 -0.08 6.28 2.12 -0.35 -4.71 118.70 120.73 1ne3 s GLU 11 Ca -0.09 -0.84 0.04 0.00 0.36 0.00 0.00 54.97 54.44 1ne3 s GLU 11 Cb 0.02 -0.93 -0.01 0.00 0.26 0.00 0.00 34.13 33.48 1ne3 s GLU 11 CO 0.16 0.22 -0.22 0.08 -0.54 0.00 0.00 175.26 174.96 1ne3 s VAL 12 N -1.00 2.26 -0.40 3.70 1.01 -1.26 0.30 120.40 125.00 1ne3 s VAL 12 Ca 0.01 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 60.95 1ne3 s VAL 12 Cb -0.09 -1.86 0.09 0.00 0.00 0.00 0.00 36.38 34.52 1ne3 s VAL 12 CO 0.02 0.56 0.21 -0.76 0.00 0.00 0.00 175.10 175.13 1ne3 s LEU 13 N 0.06 5.05 -0.01 3.92 2.01 -0.83 -4.87 118.68 124.01 1ne3 s LEU 13 Ca -0.10 -1.66 0.01 0.00 0.01 0.00 0.00 54.13 52.39 1ne3 s LEU 13 Cb -0.15 -1.90 0.01 0.00 0.01 0.00 0.00 46.19 44.15 1ne3 s LEU 13 CO 0.06 -0.51 -0.04 -1.59 1.01 0.00 0.00 176.35 175.28 1ne3 s LYS 14 N 1.31 0.43 -0.25 1.70 -2.85 -1.26 -3.26 119.74 115.56 1ne3 s LYS 14 Ca 0.04 -0.11 0.00 0.00 -1.00 0.00 0.00 55.97 54.90 1ne3 s LYS 14 Cb -0.23 -0.46 0.07 0.00 -2.06 0.00 0.00 37.83 35.16 1ne3 s LYS 14 CO -0.00 0.03 -0.01 0.50 0.10 0.00 0.00 175.35 175.97 1ne3 s ARG 15 N 0.25 1.36 -0.21 1.78 3.52 -1.26 -4.94 118.95 119.44 1ne3 s ARG 15 Ca -0.02 -1.02 -0.10 0.00 -0.13 0.00 0.00 55.73 54.45 1ne3 s ARG 15 Cb -0.06 -2.51 0.04 0.00 -1.56 0.00 0.00 34.95 30.86 1ne3 s ARG 15 CO -0.00 -0.70 0.21 2.41 -0.81 0.00 0.00 175.30 176.41 1ne3 n THR 16 N 4.70-12.61 -3.11 4.11 -1.04 -1.26 -4.92 114.28 100.15 1ne3 n THR 16 Ca -0.09 2.60 -0.42 0.00 -2.04 0.00 0.00 64.05 64.11 1ne3 n THR 16 Cb 0.44 -6.56 -0.07 0.00 -1.82 0.00 0.00 70.33 62.32 1ne3 n THR 16 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1ne3 s GLY 17 N -0.83 1.75 -0.15 3.41 0.00 -1.26 -5.02 107.32 105.22 1ne3 s GLY 17 Ca -0.24 -0.84 -0.06 0.00 0.00 0.00 0.00 44.72 43.59 1ne3 s GLY 17 CO 0.78 1.49 0.32 1.06 0.00 0.00 0.00 173.10 176.75 1ne3 s MET 18 N 2.70 0.23 0.62 2.90 -1.94 -1.26 -5.11 119.30 117.44 1ne3 s MET 18 Ca 0.24 0.78 0.00 0.00 -1.71 0.00 0.00 55.69 55.00 1ne3 s MET 18 Cb -0.14 0.03 0.00 0.00 2.01 0.00 0.00 34.83 36.73 1ne3 s MET 18 CO 0.15 -0.23 0.00 2.41 -0.01 0.00 0.00 175.02 177.33 1ne3 n THR 19 N 4.98 -1.69 -1.55 2.05 -1.04 -1.26 -4.52 114.28 111.25 1ne3 n THR 19 Ca -0.13 1.15 -0.42 0.00 -2.04 0.00 0.00 64.05 62.61 1ne3 n THR 19 Cb 0.51 -1.82 -0.04 0.00 -1.82 0.00 0.00 70.33 67.16 1ne3 n THR 19 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ne3 n GLY 20 N -3.74 0.57 3.45 3.41 0.00 -1.26 -4.90 105.19 102.71 1ne3 n GLY 20 Ca -0.06 0.78 -0.24 0.00 0.00 0.00 0.00 46.02 46.50 1ne3 n GLY 20 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ne3 s GLU 21 N 7.15 1.87 -0.23 1.61 2.56 -1.26 -5.08 118.70 125.31 1ne3 s GLU 21 Ca 1.03 -2.12 -0.11 0.00 0.00 0.00 0.00 54.97 53.77 1ne3 s GLU 21 Cb -0.40 -0.35 -0.05 0.00 2.00 0.00 0.00 34.13 35.33 1ne3 s GLU 21 CO 0.35 -0.52 0.18 0.08 -0.56 0.00 0.00 175.26 174.79 1ne3 s VAL 22 N -3.30 5.35 0.26 3.70 1.01 -1.26 -3.73 120.40 122.43 1ne3 s VAL 22 Ca 0.28 0.23 0.10 0.00 0.00 0.00 0.00 61.98 62.60 1ne3 s VAL 22 Cb 0.03 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 1ne3 s VAL 22 CO 0.18 0.35 -0.17 0.00 0.00 0.00 0.00 175.10 175.46 1ne3 s MET 23 N 1.00 1.58 0.05 2.72 0.23 0.14 -4.86 119.30 120.17 1ne3 s MET 23 Ca 0.09 -1.73 0.01 0.00 -1.03 0.00 0.00 55.69 53.03 1ne3 s MET 23 Cb -0.13 -1.54 -0.04 0.00 -1.53 0.00 0.00 34.83 31.58 1ne3 s MET 23 CO 0.04 0.26 0.12 1.14 -2.03 0.00 0.00 175.02 174.55 1ne3 s GLN 24 N -3.57 3.09 0.14 3.16 -2.07 -1.20 0.13 119.66 119.35 1ne3 s GLN 24 Ca 0.28 -0.56 0.06 0.00 -1.82 0.00 0.00 55.36 53.32 1ne3 s GLN 24 Cb -0.03 -2.86 -0.04 0.00 -1.09 0.00 0.00 33.01 29.00 1ne3 s GLN 24 CO 0.13 0.60 -0.14 0.54 -1.32 0.00 0.00 175.29 175.10 1ne3 s VAL 25 N -1.38 1.40 -0.17 3.63 0.11 -0.92 -1.97 120.40 121.09 1ne3 s VAL 25 Ca 0.29 -1.84 -0.03 0.00 -2.93 0.00 0.00 61.98 57.47 1ne3 s VAL 25 Cb -0.12 -1.67 -0.02 0.00 -1.53 0.00 0.00 36.38 33.04 1ne3 s VAL 25 CO 0.22 -0.48 -0.05 -0.75 -3.33 0.00 0.00 175.10 170.71 1ne3 s LYS 26 N -2.95 3.54 -0.02 1.54 2.20 0.86 -3.31 119.74 121.59 1ne3 s LYS 26 Ca 0.12 -0.58 0.02 0.00 -0.36 0.00 0.00 55.97 55.17 1ne3 s LYS 26 Cb -0.03 -2.90 0.01 0.00 -1.51 0.00 0.00 37.83 33.40 1ne3 s LYS 26 CO 0.03 0.11 -0.07 0.00 -0.36 0.00 0.00 175.35 175.07 1ne3 s ARG 28 N 0.28 3.11 0.20 0.00 3.00 -1.24 -2.39 118.95 121.91 1ne3 s ARG 28 Ca -0.04 -0.37 -0.32 0.00 -1.00 0.00 0.00 55.73 54.00 1ne3 s ARG 28 Cb -0.08 -2.87 -0.14 0.00 0.00 0.00 0.00 34.95 31.85 1ne3 s ARG 28 CO 0.00 0.68 1.34 -0.89 0.00 0.00 0.00 175.30 176.43 1ne3 n ILE 29 N 2.22 0.79 0.46 4.11 5.41 0.48 -3.81 119.36 129.02 1ne3 n ILE 29 Ca -0.19 -0.20 0.09 0.00 1.00 0.00 0.00 62.75 63.45 1ne3 n ILE 29 Cb 0.54 -1.23 -0.12 0.00 -0.71 0.00 0.00 39.64 38.12 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 2.24 0.47 -3.55 1.39 4.77 -1.24 -3.41 117.00 117.66 1ne3 n LEU 30 Ca 0.14 -0.28 -0.14 0.00 -0.03 0.00 0.00 56.01 55.70 1ne3 n LEU 30 Cb 0.28 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.32 1ne3 n LEU 30 CO 0.62 0.12 0.64 1.51 -1.33 0.00 0.00 177.39 178.94 1ne3 s ASP 31 N -3.27 -0.49 0.00 -1.43 1.47 -1.26 -4.98 116.67 106.71 1ne3 s ASP 31 Ca 0.01 0.54 0.00 0.00 1.18 0.00 0.00 52.55 54.28 1ne3 s ASP 31 Cb 0.12 0.41 0.00 0.00 -0.34 0.00 0.00 42.92 43.12 1ne3 s ASP 31 CO 0.73 -0.45 0.00 0.61 0.68 0.00 0.00 175.17 176.74 1ne3 n GLY 32 N 0.83 3.49 0.27 2.12 0.00 -1.26 -4.64 105.19 105.99 1ne3 n GLY 32 Ca -0.14 -1.80 0.18 0.00 0.00 0.00 0.00 46.02 44.26 1ne3 n GLY 32 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ne3 h ARG 33 N 0.00 0.00 -0.57 1.61 2.47 -2.03 0.43 114.38 116.29 1ne3 h ARG 33 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1ne3 h ARG 33 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1ne3 h ARG 33 CO 0.00 0.00 0.00 -0.25 0.56 0.00 0.00 179.97 180.28 1ne3 n ASP 34 N -2.80 3.50 -0.85 7.04 8.00 -1.26 -5.01 116.55 125.17 1ne3 n ASP 34 Ca -0.02 -1.99 -0.11 0.00 0.71 0.00 0.00 54.79 53.39 1ne3 n ASP 34 Cb 0.10 -0.38 -0.01 0.00 -0.02 0.00 0.00 41.12 40.81 1ne3 n ASP 34 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1ne3 n LYS 35 N 1.44 0.00 0.00 -1.24 4.81 0.15 0.33 118.16 123.65 1ne3 n LYS 35 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 1ne3 n LYS 35 Cb 0.57 -0.27 0.00 0.00 0.02 0.00 0.00 35.03 35.35 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 0.30 1.53 3.70 3.14 0.00 -1.22 -5.01 105.19 107.64 1ne3 n GLY 36 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1ne3 n GLY 36 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ne3 s ARG 37 N -0.67 4.18 -0.08 1.61 3.52 0.15 -4.52 118.95 123.14 1ne3 s ARG 37 Ca 0.00 2.42 0.04 0.00 -0.13 0.00 0.00 55.73 58.06 1ne3 s ARG 37 Cb 0.00 -3.43 -0.01 0.00 -1.56 0.00 0.00 34.95 29.94 1ne3 s ARG 37 CO 0.00 -0.73 -0.19 0.42 -0.81 0.00 0.00 175.30 173.99 1ne3 s ILE 38 N 2.13 2.54 0.07 4.11 1.09 -1.26 0.18 121.20 130.06 1ne3 s ILE 38 Ca 0.75 -0.88 0.03 0.00 -1.10 0.00 0.00 60.65 59.44 1ne3 s ILE 38 Cb -0.43 -1.98 -0.03 0.00 -1.06 0.00 0.00 42.46 38.95 1ne3 s ILE 38 CO 0.33 0.56 -0.09 -0.76 -0.10 0.00 0.00 174.94 174.89 1ne3 s LEU 39 N -0.14 2.36 -0.06 2.97 2.01 -1.01 -5.02 118.68 119.80 1ne3 s LEU 39 Ca -0.03 -0.73 0.05 0.00 0.01 0.00 0.00 54.13 53.43 1ne3 s LEU 39 Cb -0.14 -0.21 -0.02 0.00 0.01 0.00 0.00 46.19 45.84 1ne3 s LEU 39 CO 0.04 -0.27 -0.21 -0.89 1.01 0.00 0.00 176.35 176.03 1ne3 s THR 40 N -2.17 2.45 0.02 5.49 2.01 -1.26 -3.14 115.64 119.05 1ne3 s THR 40 Ca -0.00 -0.93 -0.03 0.00 0.31 0.00 0.00 61.69 61.03 1ne3 s THR 40 Cb -0.05 -1.92 -0.01 0.00 0.01 0.00 0.00 72.50 70.53 1ne3 s THR 40 CO -0.01 0.57 0.04 -0.13 -0.69 0.00 0.00 174.62 174.41 1ne3 s ARG 41 N -0.35 0.45 0.03 4.92 3.00 -1.21 -5.02 118.95 120.77 1ne3 s ARG 41 Ca 0.02 -0.64 -0.21 0.00 0.00 0.00 0.00 55.73 54.90 1ne3 s ARG 41 Cb -0.12 0.17 -0.06 0.00 0.00 0.00 0.00 34.95 34.94 1ne3 s ARG 41 CO 0.02 -0.09 0.63 -0.80 0.00 0.00 0.00 175.30 175.06 1ne3 s ASN 42 N -1.72 7.07 -0.07 0.23 0.01 -1.26 -2.17 114.94 117.02 1ne3 s ASN 42 Ca -0.11 1.27 -0.11 0.00 -0.71 0.00 0.00 52.86 53.19 1ne3 s ASN 42 Cb -0.06 -2.39 0.02 0.00 0.41 0.00 0.00 41.25 39.24 1ne3 s ASN 42 CO -0.02 0.13 0.29 0.54 -1.51 0.00 0.00 177.10 176.53 1ne3 s VAL 43 N -0.45 0.02 -0.21 1.60 0.11 0.36 -4.95 120.40 116.89 1ne3 s VAL 43 Ca 0.32 -0.20 -0.10 0.00 -2.93 0.00 0.00 61.98 59.07 1ne3 s VAL 43 Cb -0.19 -0.48 -0.05 0.00 -1.53 0.00 0.00 36.38 34.13 1ne3 s VAL 43 CO 0.19 -0.11 0.13 -0.32 -3.33 0.00 0.00 175.10 171.66 1ne3 s MET 44 N -0.42 4.15 0.00 1.54 1.75 -1.26 0.28 119.30 125.34 1ne3 s MET 44 Ca -0.05 -0.24 0.00 0.00 -1.25 0.00 0.00 55.69 54.15 1ne3 s MET 44 Cb -0.04 -3.43 0.00 0.00 2.84 0.00 0.00 34.83 34.20 1ne3 s MET 44 CO 0.02 0.24 0.00 0.41 -0.65 0.00 0.00 175.02 175.04 1ne3 n GLY 45 N 3.70 3.25 3.56 2.11 0.00 -1.24 -4.97 105.19 111.60 1ne3 n GLY 45 Ca -0.16 -1.92 -0.34 0.00 0.00 0.00 0.00 46.02 43.60 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 -2.61 3.06 -0.12 1.61 0.04 -1.26 -4.81 135.00 130.91 1ne3 s PRO 46 Ca 0.00 -0.62 0.02 0.00 0.04 0.00 0.00 61.00 60.44 1ne3 s PRO 46 Cb 0.00 -5.12 0.01 0.00 0.04 0.00 0.00 34.50 29.44 1ne3 s PRO 46 CO 0.00 -2.75 -0.16 -1.50 0.04 0.00 0.00 177.00 172.62 1ne3 s ILE 47 N 7.50 1.58 0.25 0.56 2.07 -1.26 -5.13 121.20 126.77 1ne3 s ILE 47 Ca 0.57 -0.69 0.06 0.00 -1.41 0.00 0.00 60.65 59.18 1ne3 s ILE 47 Cb -0.04 -1.44 -0.05 0.00 0.13 0.00 0.00 42.46 41.05 1ne3 s ILE 47 CO -0.03 0.46 -0.05 0.00 -1.91 0.00 0.00 174.94 173.40 1ne3 s ARG 48 N 1.01 1.44 0.12 3.50 3.03 -1.26 -4.94 118.95 121.85 1ne3 s ARG 48 Ca -0.06 -1.72 -0.27 0.00 2.03 0.00 0.00 55.73 55.72 1ne3 s ARG 48 Cb -0.15 -0.97 -0.15 0.00 -1.03 0.00 0.00 34.95 32.65 1ne3 s ARG 48 CO -0.02 0.02 0.58 -0.85 -1.13 0.00 0.00 175.30 173.90 1ne3 n GLU 49 N -0.50 0.00 0.00 3.89 0.28 -1.26 -2.79 120.64 120.26 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 -0.98 0.00 0.00 1.43 0.00 0.00 31.44 32.52 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 1.59 1.92 3.84 -1.84 0.00 0.23 -4.91 105.19 106.03 1ne3 n GLY 50 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.88 6.76 0.10 1.61 1.01 -1.12 -4.59 116.67 118.56 1ne3 s ASP 51 Ca 0.00 1.43 -0.24 0.00 0.71 0.00 0.00 52.55 54.45 1ne3 s ASP 51 Cb 0.00 -2.44 -0.07 0.00 1.01 0.00 0.00 42.92 41.42 1ne3 s ASP 51 CO 0.00 -0.35 0.72 -0.63 0.21 0.00 0.00 175.17 175.13 1ne3 s ILE 52 N -2.21 4.58 0.07 0.77 1.09 -1.26 0.20 121.20 124.44 1ne3 s ILE 52 Ca 0.57 1.56 0.03 0.00 -1.10 0.00 0.00 60.65 61.71 1ne3 s ILE 52 Cb -0.10 -4.07 -0.03 0.00 -1.06 0.00 0.00 42.46 37.20 1ne3 s ILE 52 CO 0.21 0.47 -0.09 -0.76 -0.10 0.00 0.00 174.94 174.67 1ne3 s LEU 53 N -0.74 2.34 -0.26 2.97 1.02 0.78 -4.90 118.68 119.89 1ne3 s LEU 53 Ca 0.35 -0.70 -0.12 0.00 0.02 0.00 0.00 54.13 53.68 1ne3 s LEU 53 Cb -0.21 -0.24 -0.05 0.00 0.02 0.00 0.00 46.19 45.71 1ne3 s LEU 53 CO 0.23 -0.24 0.24 -0.04 0.02 0.00 0.00 176.35 176.57 1ne3 s MET 54 N -2.28 4.03 -0.40 1.70 -1.94 -1.26 -2.53 119.30 116.61 1ne3 s MET 54 Ca -0.01 -0.17 -0.14 0.00 -1.71 0.00 0.00 55.69 53.66 1ne3 s MET 54 Cb -0.06 -3.61 0.02 0.00 2.01 0.00 0.00 34.83 33.19 1ne3 s MET 54 CO -0.00 -0.11 0.27 -0.51 -0.01 0.00 0.00 175.02 174.66 1ne3 s LEU 55 N 1.57 4.96 -0.11 -0.03 2.01 -1.13 -4.87 118.68 121.09 1ne3 s LEU 55 Ca 0.10 -0.88 -0.04 0.00 0.01 0.00 0.00 54.13 53.32 1ne3 s LEU 55 Cb -0.15 -2.13 -0.04 0.00 0.01 0.00 0.00 46.19 43.89 1ne3 s LEU 55 CO 0.08 -0.42 0.06 -0.22 1.01 0.00 0.00 176.35 176.87 1ne3 s LEU 56 N 1.65 3.94 0.02 1.79 2.96 -1.26 -2.02 118.68 125.76 1ne3 s LEU 56 Ca 0.04 0.28 -0.33 0.00 -0.22 0.00 0.00 54.13 53.90 1ne3 s LEU 56 Cb -0.19 -1.93 -0.11 0.00 0.50 0.00 0.00 46.19 44.45 1ne3 s LEU 56 CO 0.09 0.38 1.84 -0.67 -1.32 0.00 0.00 176.35 176.67 1ne3 n ASP 57 N 2.17 3.62 -4.74 3.68 -0.08 -1.26 -4.90 116.55 115.04 1ne3 n ASP 57 Ca -0.19 0.98 -0.41 0.00 -1.51 0.00 0.00 54.79 53.66 1ne3 n ASP 57 Cb 0.54 -1.44 -0.03 0.00 2.34 0.00 0.00 41.12 42.53 1ne3 n ASP 57 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1ne3 s THR 58 N 3.31 3.30 -0.13 5.18 -1.32 -1.26 -5.02 115.64 119.71 1ne3 s THR 58 Ca 0.88 1.09 -0.04 0.00 -1.21 0.00 0.00 61.69 62.41 1ne3 s THR 58 Cb -0.61 -3.70 -0.03 0.00 -1.51 0.00 0.00 72.50 66.65 1ne3 s THR 58 CO 0.45 0.17 0.02 -0.63 -2.21 0.00 0.00 174.62 172.42 1ne3 s ILE 59 N -0.03 4.43 0.44 5.08 1.09 -1.26 -5.09 121.20 125.86 1ne3 s ILE 59 Ca 0.55 -0.18 -0.23 0.00 -1.10 0.00 0.00 60.65 59.68 1ne3 s ILE 59 Cb -0.35 -2.92 -0.08 0.00 -1.06 0.00 0.00 42.46 38.05 1ne3 s ILE 59 CO 0.39 0.55 1.13 0.00 -0.10 0.00 0.00 174.94 176.91 1ne3 s ARG 60 N -0.32 3.89 -0.02 2.79 1.04 -1.26 -5.03 118.95 120.03 1ne3 s ARG 60 Ca 0.07 1.71 -0.02 0.00 -1.04 0.00 0.00 55.73 56.45 1ne3 s ARG 60 Cb -0.12 -2.46 -0.04 0.00 -2.04 0.00 0.00 34.95 30.29 1ne3 s ARG 60 CO 0.02 -0.43 0.10 -2.00 -0.04 0.00 0.00 175.30 172.96 1ne3 s GLU 61 N -2.62 3.17 0.25 3.89 2.12 -1.26 -5.09 118.70 119.16 1ne3 s GLU 61 Ca 0.62 -0.42 -0.30 0.00 0.36 0.00 0.00 54.97 55.23 1ne3 s GLU 61 Cb -0.27 -2.93 -0.09 0.00 0.26 0.00 0.00 34.13 31.10 1ne3 s GLU 61 CO 0.33 0.67 1.02 0.00 -0.54 0.00 0.00 175.26 176.74 1ne3 s ALA 62 N -1.19 3.37 0.03 6.30 0.00 -1.26 -5.01 121.76 124.00 1ne3 s ALA 62 Ca 0.23 0.75 -0.29 0.00 0.00 0.00 0.00 51.96 52.65 1ne3 s ALA 62 Cb -0.12 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1ne3 s ALA 62 CO 0.13 0.01 0.92 0.15 0.00 0.00 0.00 175.76 176.98 1ne3 s LYS 63 N -1.19 4.58 0.12 0.00 -0.14 -1.26 -5.04 119.74 116.81 1ne3 s LYS 63 Ca 0.43 1.33 -0.01 0.00 -1.36 0.00 0.00 55.97 56.36 1ne3 s LYS 63 Cb -0.29 -3.43 -0.04 0.00 -1.68 0.00 0.00 37.83 32.39 1ne3 s LYS 63 CO 0.36 0.06 0.30 -1.83 -0.76 0.00 0.00 175.35 173.49 1ne3 s GLU 64 N 0.62 3.51 0.26 1.68 -1.05 -1.26 -5.07 118.70 117.38 1ne3 s GLU 64 Ca 0.48 -0.34 -0.30 0.00 -0.15 0.00 0.00 54.97 54.66 1ne3 s GLU 64 Cb -0.21 -2.93 -0.09 0.00 -0.44 0.00 0.00 34.13 30.45 1ne3 s GLU 64 CO 0.27 0.51 1.07 0.96 0.95 0.00 0.00 175.26 179.02 1ne3 s ILE 65 N -1.66 3.64 0.45 1.83 -4.36 -1.26 -5.00 121.20 114.83 1ne3 s ILE 65 Ca 0.37 1.62 -0.23 0.00 -0.26 0.00 0.00 60.65 62.15 1ne3 s ILE 65 Cb -0.12 -4.03 -0.08 0.00 1.25 0.00 0.00 42.46 39.48 1ne3 s ILE 65 CO 0.27 0.37 1.13 -0.60 0.24 0.00 0.00 174.94 176.35 1ne3 s ARG 66 N -1.24 3.86 0.09 0.37 3.52 -1.26 -5.05 118.95 119.24 1ne3 s ARG 66 Ca 0.45 1.69 0.10 0.00 -0.13 0.00 0.00 55.73 57.83 1ne3 s ARG 66 Cb -0.31 -2.42 -0.03 0.00 -1.56 0.00 0.00 34.95 30.63 1ne3 s ARG 66 CO 0.39 -0.44 -0.25 0.95 -0.81 0.00 0.00 175.30 175.13 1ne3 s THR 67 N -1.60 2.08 -2.00 4.11 -4.23 -1.26 -5.35 115.64 107.39 1ne3 s THR 67 Ca 0.62 -1.55 0.24 0.00 -1.18 0.00 0.00 61.69 59.82 1ne3 s THR 67 Cb -0.26 -1.83 0.68 0.00 1.34 0.00 0.00 72.50 72.44 1ne3 s THR 67 CO 0.32 0.17 1.80 -0.81 -0.54 0.00 0.00 174.62 175.56