#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 1.24 0.44 7.83 9.92 -1.26 -4.57 116.55 130.15 1ne3 n ASP 2 Ca 0.00 0.00 -0.20 0.00 -0.53 0.00 0.00 54.79 54.06 1ne3 n ASP 2 Cb 0.00 1.10 -0.10 0.00 -0.64 0.00 0.00 41.12 41.48 1ne3 n ASP 2 CO 0.00 0.00 0.00 -2.24 0.13 0.00 0.00 177.20 175.09 1ne3 h ASP 3 N 0.00 -1.19 -3.91 -2.24 2.03 -2.05 -3.43 116.42 105.62 1ne3 h ASP 3 Ca -0.31 0.06 -0.68 0.00 -0.73 0.00 0.00 57.03 55.37 1ne3 h ASP 3 Cb 1.63 0.34 -0.21 0.00 -0.83 0.00 0.00 39.33 40.26 1ne3 h ASP 3 CO 0.02 -0.75 -0.81 0.00 -1.03 0.00 0.00 179.24 176.67 1ne3 s ALA 4 N -5.96 2.59 0.11 4.15 0.00 -1.26 -4.31 121.76 117.09 1ne3 s ALA 4 Ca -0.19 -1.25 -0.03 0.00 0.00 0.00 0.00 51.96 50.49 1ne3 s ALA 4 Cb 0.03 -0.69 -0.05 0.00 0.00 0.00 0.00 23.12 22.41 1ne3 s ALA 4 CO 0.60 0.58 0.31 0.99 0.00 0.00 0.00 175.76 178.24 1ne3 s THR 5 N -0.99 5.26 0.07 0.00 2.01 -1.02 -4.30 115.64 116.67 1ne3 s THR 5 Ca 0.15 -0.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.69 1ne3 s THR 5 Cb -0.10 -3.63 -0.06 0.00 0.01 0.00 0.00 72.50 68.72 1ne3 s THR 5 CO 0.07 0.07 1.16 -2.16 -0.69 0.00 0.00 174.62 173.07 1ne3 s PRO 6 N -2.63 4.46 0.12 4.92 0.04 -1.26 -2.47 135.00 138.18 1ne3 s PRO 6 Ca 0.38 1.72 -0.15 0.00 0.04 0.00 0.00 61.00 62.99 1ne3 s PRO 6 Cb -0.12 -3.35 0.03 0.00 0.04 0.00 0.00 34.50 31.10 1ne3 s PRO 6 CO 0.26 -0.20 0.38 0.00 0.04 0.00 0.00 177.00 177.49 1ne3 s ALA 7 N 0.91 -0.87 -0.08 8.56 0.00 -0.77 -2.67 121.76 126.84 1ne3 s ALA 7 Ca 0.57 -0.08 0.05 0.00 0.00 0.00 0.00 51.96 52.49 1ne3 s ALA 7 Cb -0.28 0.65 -0.00 0.00 0.00 0.00 0.00 23.12 23.49 1ne3 s ALA 7 CO 0.30 -0.62 -0.24 -1.21 0.00 0.00 0.00 175.76 173.99 1ne3 s GLU 8 N -3.73 2.74 -0.14 0.00 2.02 -1.25 0.24 118.70 118.57 1ne3 s GLU 8 Ca 0.03 -0.86 -0.37 0.00 0.02 0.00 0.00 54.97 53.78 1ne3 s GLU 8 Cb 0.02 -2.18 -0.14 0.00 0.10 0.00 0.00 34.13 31.93 1ne3 s GLU 8 CO -0.11 0.26 1.77 0.28 0.02 0.00 0.00 175.26 177.48 1ne3 n VAL 9 N 3.28 0.39 -0.10 2.63 0.31 0.62 -3.72 118.33 121.74 1ne3 n VAL 9 Ca -0.18 -0.07 -0.14 0.00 -0.01 0.00 0.00 64.34 63.93 1ne3 n VAL 9 Cb 0.53 -1.51 -0.09 0.00 -0.91 0.00 0.00 33.84 31.85 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 4.64 1.17 -4.29 2.52 -5.35 -0.72 0.23 119.36 117.56 1ne3 n ILE 10 Ca 0.24 -0.45 -0.18 0.00 -0.27 0.00 0.00 62.75 62.09 1ne3 n ILE 10 Cb 0.22 -1.22 -0.13 0.00 -1.74 0.00 0.00 39.64 36.76 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 -2.41 0.78 -0.05 6.28 2.56 -0.52 -4.74 118.70 120.60 1ne3 s GLU 11 Ca -0.27 -0.61 0.05 0.00 0.00 0.00 0.00 54.97 54.13 1ne3 s GLU 11 Cb 0.07 -0.73 -0.00 0.00 2.00 0.00 0.00 34.13 35.47 1ne3 s GLU 11 CO 0.47 0.18 -0.19 0.54 -0.56 0.00 0.00 175.26 175.70 1ne3 s VAL 12 N -0.74 1.59 -0.28 3.70 0.11 -1.26 0.36 120.40 123.87 1ne3 s VAL 12 Ca -0.00 -0.80 -0.08 0.00 -2.93 0.00 0.00 61.98 58.17 1ne3 s VAL 12 Cb -0.07 -1.37 -0.01 0.00 -1.53 0.00 0.00 36.38 33.40 1ne3 s VAL 12 CO 0.01 0.45 0.11 -0.76 -3.33 0.00 0.00 175.10 171.58 1ne3 s LEU 13 N 0.06 3.80 -0.09 2.54 1.43 -0.73 -4.85 118.68 120.84 1ne3 s LEU 13 Ca -0.06 -0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1ne3 s LEU 13 Cb -0.13 -1.95 0.03 0.00 0.03 0.00 0.00 46.19 44.17 1ne3 s LEU 13 CO 0.03 -0.13 -0.04 -0.75 0.23 0.00 0.00 176.35 175.69 1ne3 s LYS 14 N 1.59 1.13 -0.37 1.70 2.47 -1.26 -3.70 119.74 121.29 1ne3 s LYS 14 Ca 0.05 -0.10 -0.20 0.00 -1.56 0.00 0.00 55.97 54.16 1ne3 s LYS 14 Cb -0.16 -1.30 0.01 0.00 -1.46 0.00 0.00 37.83 34.91 1ne3 s LYS 14 CO 0.05 -0.27 0.59 1.03 0.16 0.00 0.00 175.35 176.91 1ne3 s ARG 15 N 1.76 3.56 0.62 4.03 0.52 -1.26 -4.90 118.95 123.28 1ne3 s ARG 15 Ca 0.04 -0.13 0.00 0.00 -0.52 0.00 0.00 55.73 55.12 1ne3 s ARG 15 Cb -0.13 -3.84 0.00 0.00 0.52 0.00 0.00 34.95 31.50 1ne3 s ARG 15 CO -0.06 -0.76 0.00 2.41 0.02 0.00 0.00 175.30 176.90 1ne3 n THR 16 N 5.58 -1.32 -1.57 0.02 -1.04 -1.26 -4.29 114.28 110.41 1ne3 n THR 16 Ca -0.03 1.06 -0.40 0.00 -2.04 0.00 0.00 64.05 62.64 1ne3 n THR 16 Cb 0.48 -1.63 -0.02 0.00 -1.82 0.00 0.00 70.33 67.35 1ne3 n THR 16 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ne3 n GLY 17 N -4.02 4.55 2.99 3.41 0.00 -1.26 -4.86 105.19 106.00 1ne3 n GLY 17 Ca -0.08 -1.68 -0.21 0.00 0.00 0.00 0.00 46.02 44.05 1ne3 n GLY 17 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ne3 s MET 18 N 1.28 1.05 -1.23 1.61 0.00 -1.26 -5.05 119.30 115.70 1ne3 s MET 18 Ca 0.63 -0.29 -0.06 0.00 0.00 0.00 0.00 55.69 55.97 1ne3 s MET 18 Cb 0.18 -0.96 0.19 0.00 0.00 0.00 0.00 34.83 34.24 1ne3 s MET 18 CO -0.07 0.07 2.02 2.41 0.00 0.00 0.00 175.02 179.46 1ne3 n THR 19 N 3.47 5.17 0.00 10.11 -1.04 -1.26 -4.86 114.28 125.87 1ne3 n THR 19 Ca -0.20 -4.86 0.00 0.00 -2.04 0.00 0.00 64.05 56.95 1ne3 n THR 19 Cb 0.53 -2.06 0.00 0.00 -1.82 0.00 0.00 70.33 66.98 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 1.65 -3.43 1.54 3.41 0.00 -1.26 -4.93 105.19 102.17 1ne3 n GLY 20 Ca 0.48 0.59 0.00 0.00 0.00 0.00 0.00 46.02 47.10 1ne3 n GLY 20 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ne3 n GLU 21 N -0.86 0.00 -4.85 1.61 4.07 -1.26 -5.12 120.64 114.22 1ne3 n GLU 21 Ca 0.00 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.77 1ne3 n GLU 21 Cb 0.00 0.00 -0.14 0.00 -0.06 0.00 0.00 31.44 31.24 1ne3 n GLU 21 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1ne3 s VAL 22 N -2.00 3.02 0.24 6.31 1.01 -1.26 -4.53 120.40 123.19 1ne3 s VAL 22 Ca 0.00 -0.71 0.11 0.00 0.00 0.00 0.00 61.98 61.38 1ne3 s VAL 22 Cb 0.00 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 1ne3 s VAL 22 CO 0.00 0.56 -0.19 0.00 0.00 0.00 0.00 175.10 175.47 1ne3 s MET 23 N -0.18 1.54 -0.09 2.72 0.23 -0.39 -4.90 119.30 118.23 1ne3 s MET 23 Ca -0.00 -1.67 -0.00 0.00 -1.03 0.00 0.00 55.69 52.98 1ne3 s MET 23 Cb -0.13 -1.56 -0.03 0.00 -1.53 0.00 0.00 34.83 31.58 1ne3 s MET 23 CO 0.03 0.29 -0.06 1.14 -2.03 0.00 0.00 175.02 174.39 1ne3 s GLN 24 N -3.43 3.02 0.23 3.16 -2.07 -1.24 0.21 119.66 119.54 1ne3 s GLN 24 Ca 0.26 -0.54 0.08 0.00 -1.82 0.00 0.00 55.36 53.34 1ne3 s GLN 24 Cb -0.04 -2.68 -0.05 0.00 -1.09 0.00 0.00 33.01 29.15 1ne3 s GLN 24 CO 0.12 0.54 -0.13 0.54 -1.32 0.00 0.00 175.29 175.03 1ne3 s VAL 25 N -0.47 1.81 -0.11 3.63 0.11 -1.06 -1.78 120.40 122.54 1ne3 s VAL 25 Ca 0.07 -2.22 0.01 0.00 -2.93 0.00 0.00 61.98 56.91 1ne3 s VAL 25 Cb -0.12 -2.17 -0.02 0.00 -1.53 0.00 0.00 36.38 32.55 1ne3 s VAL 25 CO 0.02 -0.51 -0.14 -0.75 -3.33 0.00 0.00 175.10 170.39 1ne3 s LYS 26 N -3.65 3.12 -0.01 1.54 2.20 1.11 -3.48 119.74 120.57 1ne3 s LYS 26 Ca 0.25 -0.71 0.01 0.00 -0.36 0.00 0.00 55.97 55.16 1ne3 s LYS 26 Cb -0.00 -2.53 0.01 0.00 -1.51 0.00 0.00 37.83 33.80 1ne3 s LYS 26 CO 0.09 0.32 -0.01 0.00 -0.36 0.00 0.00 175.35 175.39 1ne3 s ARG 28 N 0.45 3.13 0.37 0.00 3.52 -1.24 -2.34 118.95 122.83 1ne3 s ARG 28 Ca -0.04 -0.32 -0.26 0.00 -0.13 0.00 0.00 55.73 54.98 1ne3 s ARG 28 Cb -0.07 -2.93 -0.12 0.00 -1.56 0.00 0.00 34.95 30.28 1ne3 s ARG 28 CO -0.01 0.73 1.09 -0.89 -0.81 0.00 0.00 175.30 175.41 1ne3 n ILE 29 N 2.08 2.22 0.31 4.11 5.41 0.38 -3.80 119.36 130.07 1ne3 n ILE 29 Ca -0.19 -0.50 0.05 0.00 1.00 0.00 0.00 62.75 63.11 1ne3 n ILE 29 Cb 0.54 -1.24 -0.07 0.00 -0.71 0.00 0.00 39.64 38.16 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 0.74 0.31 -3.54 1.39 4.77 -1.09 -3.59 117.00 115.99 1ne3 n LEU 30 Ca 0.08 -0.31 -0.15 0.00 -0.03 0.00 0.00 56.01 55.61 1ne3 n LEU 30 Cb 0.37 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.40 1ne3 n LEU 30 CO 0.59 0.08 0.57 1.51 -1.33 0.00 0.00 177.39 178.81 1ne3 s ASP 31 N -2.51 -0.54 0.00 -1.43 1.47 -1.24 -4.99 116.67 107.43 1ne3 s ASP 31 Ca 0.01 0.60 0.00 0.00 1.18 0.00 0.00 52.55 54.34 1ne3 s ASP 31 Cb 0.08 0.45 0.00 0.00 -0.34 0.00 0.00 42.92 43.11 1ne3 s ASP 31 CO 0.45 -0.50 0.00 0.61 0.68 0.00 0.00 175.17 176.41 1ne3 n GLY 32 N 0.84 3.46 0.27 2.12 0.00 -1.26 -4.61 105.19 106.01 1ne3 n GLY 32 Ca -0.15 -1.86 0.19 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.36 1.61 1.12 -2.04 0.50 114.38 115.21 1ne3 h ARG 33 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1ne3 h ARG 33 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 1ne3 h ARG 33 CO 0.00 0.00 0.00 -0.25 -3.11 0.00 0.00 179.97 176.61 1ne3 n ASP 34 N -2.82 2.77 -0.96 -3.80 8.00 -1.26 -5.00 116.55 113.49 1ne3 n ASP 34 Ca -0.02 -1.91 -0.12 0.00 0.71 0.00 0.00 54.79 53.46 1ne3 n ASP 34 Cb 0.10 -0.23 -0.01 0.00 -0.02 0.00 0.00 41.12 40.95 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 1.03 0.00 -0.03 -1.24 4.81 0.17 0.28 118.16 123.19 1ne3 n LYS 35 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 1ne3 n LYS 35 Cb 0.48 -0.27 0.00 0.00 0.02 0.00 0.00 35.03 35.26 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 0.37 1.48 3.70 3.14 0.00 -1.24 -4.99 105.19 107.65 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 -0.49 4.20 -0.07 1.61 3.52 0.14 -4.53 118.95 123.33 1ne3 s ARG 37 Ca 0.00 2.36 0.03 0.00 -0.13 0.00 0.00 55.73 57.99 1ne3 s ARG 37 Cb 0.00 -3.48 -0.02 0.00 -1.56 0.00 0.00 34.95 29.89 1ne3 s ARG 37 CO 0.00 -0.71 -0.15 0.42 -0.81 0.00 0.00 175.30 174.05 1ne3 s ILE 38 N 2.25 2.93 0.05 4.11 1.09 -1.26 0.14 121.20 130.50 1ne3 s ILE 38 Ca 0.73 -0.76 0.03 0.00 -1.10 0.00 0.00 60.65 59.56 1ne3 s ILE 38 Cb -0.41 -2.16 -0.02 0.00 -1.06 0.00 0.00 42.46 38.81 1ne3 s ILE 38 CO 0.32 0.57 -0.10 -0.76 -0.10 0.00 0.00 174.94 174.87 1ne3 s LEU 39 N -0.42 2.23 -0.11 2.97 2.01 -0.99 -5.02 118.68 119.35 1ne3 s LEU 39 Ca 0.05 -0.52 0.03 0.00 0.01 0.00 0.00 54.13 53.70 1ne3 s LEU 39 Cb -0.12 -0.33 0.01 0.00 0.01 0.00 0.00 46.19 45.76 1ne3 s LEU 39 CO 0.02 -0.11 -0.20 -0.89 1.01 0.00 0.00 176.35 176.17 1ne3 s THR 40 N -1.17 1.85 0.04 5.49 2.01 -1.26 -3.14 115.64 119.46 1ne3 s THR 40 Ca -0.05 -0.87 -0.02 0.00 0.31 0.00 0.00 61.69 61.05 1ne3 s THR 40 Cb -0.09 -1.64 -0.02 0.00 0.01 0.00 0.00 72.50 70.76 1ne3 s THR 40 CO 0.01 0.51 0.02 -0.13 -0.69 0.00 0.00 174.62 174.34 1ne3 s ARG 41 N 0.70 0.53 -0.21 4.92 3.00 -1.23 -5.01 118.95 121.66 1ne3 s ARG 41 Ca -0.11 -0.91 -0.22 0.00 0.00 0.00 0.00 55.73 54.49 1ne3 s ARG 41 Cb -0.16 0.20 -0.02 0.00 0.00 0.00 0.00 34.95 34.97 1ne3 s ARG 41 CO 0.02 -0.11 0.70 -0.80 0.00 0.00 0.00 175.30 175.10 1ne3 s ASN 42 N -2.29 6.74 0.05 0.23 -0.87 -1.26 -2.56 114.94 114.97 1ne3 s ASN 42 Ca -0.03 0.90 0.05 0.00 -1.57 0.00 0.00 52.86 52.21 1ne3 s ASN 42 Cb 0.00 -2.38 -0.02 0.00 -0.02 0.00 0.00 41.25 38.83 1ne3 s ASN 42 CO -0.06 -0.35 -0.14 0.54 -2.57 0.00 0.00 177.10 174.52 1ne3 s VAL 43 N 2.21 1.07 -0.22 1.60 0.11 0.57 -4.89 120.40 120.84 1ne3 s VAL 43 Ca 0.31 -1.06 -0.10 0.00 -2.93 0.00 0.00 61.98 58.20 1ne3 s VAL 43 Cb -0.16 -0.99 -0.05 0.00 -1.53 0.00 0.00 36.38 33.66 1ne3 s VAL 43 CO 0.10 -0.07 0.13 -0.32 -3.33 0.00 0.00 175.10 171.61 1ne3 s MET 44 N -1.29 4.08 0.00 1.54 1.75 -1.26 -1.27 119.30 122.85 1ne3 s MET 44 Ca 0.00 -0.27 0.00 0.00 -1.25 0.00 0.00 55.69 54.17 1ne3 s MET 44 Cb -0.08 -3.45 0.00 0.00 2.84 0.00 0.00 34.83 34.13 1ne3 s MET 44 CO 0.01 0.15 0.00 0.41 -0.65 0.00 0.00 175.02 174.94 1ne3 n GLY 45 N 3.99 4.13 3.57 2.11 0.00 -1.26 -4.98 105.19 112.75 1ne3 n GLY 45 Ca -0.16 -1.53 -0.35 0.00 0.00 0.00 0.00 46.02 43.98 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 -3.54 3.20 -0.09 1.61 0.04 -1.26 -4.90 135.00 130.07 1ne3 s PRO 46 Ca 0.00 -1.32 0.01 0.00 0.04 0.00 0.00 61.00 59.73 1ne3 s PRO 46 Cb 0.00 -5.34 0.02 0.00 0.04 0.00 0.00 34.50 29.22 1ne3 s PRO 46 CO 0.00 -3.00 -0.11 -1.50 0.04 0.00 0.00 177.00 172.43 1ne3 s ILE 47 N 7.52 1.16 0.24 0.56 -1.16 -1.26 -5.13 121.20 123.13 1ne3 s ILE 47 Ca 0.60 -0.43 0.05 0.00 -0.51 0.00 0.00 60.65 60.36 1ne3 s ILE 47 Cb 0.00 -1.10 -0.05 0.00 0.61 0.00 0.00 42.46 41.91 1ne3 s ILE 47 CO 0.05 0.38 -0.05 0.00 -2.81 0.00 0.00 174.94 172.51 1ne3 s ARG 48 N 1.16 1.41 0.00 3.50 3.03 -1.26 -4.95 118.95 121.85 1ne3 s ARG 48 Ca -0.05 -1.70 -0.22 0.00 2.03 0.00 0.00 55.73 55.79 1ne3 s ARG 48 Cb -0.14 -0.91 -0.11 0.00 -1.03 0.00 0.00 34.95 32.76 1ne3 s ARG 48 CO -0.03 0.00 0.58 -0.85 -1.13 0.00 0.00 175.30 173.88 1ne3 n GLU 49 N -0.47 0.00 0.00 3.89 0.28 -1.26 -2.57 120.64 120.51 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 -0.82 0.00 0.00 1.43 0.00 0.00 31.44 32.68 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 0.84 2.13 3.91 -1.84 0.00 0.64 -4.92 105.19 105.96 1ne3 n GLY 50 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1ne3 n GLY 50 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ne3 s ASP 51 N -1.99 4.69 -0.06 1.61 2.15 -1.06 -4.63 116.67 117.38 1ne3 s ASP 51 Ca 0.00 0.69 -0.09 0.00 0.43 0.00 0.00 52.55 53.58 1ne3 s ASP 51 Cb 0.00 -1.26 -0.05 0.00 -0.30 0.00 0.00 42.92 41.31 1ne3 s ASP 51 CO 0.00 -1.75 0.24 -0.63 -0.17 0.00 0.00 175.17 172.86 1ne3 s ILE 52 N -3.44 5.33 0.08 4.11 1.01 -1.26 0.23 121.20 127.26 1ne3 s ILE 52 Ca 0.61 0.37 -0.01 0.00 0.00 0.00 0.00 60.65 61.62 1ne3 s ILE 52 Cb -0.11 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 1ne3 s ILE 52 CO 0.48 0.55 -0.01 -0.76 0.00 0.00 0.00 174.94 175.20 1ne3 s LEU 53 N -1.22 2.26 -0.05 2.97 1.02 0.14 -4.85 118.68 118.95 1ne3 s LEU 53 Ca 0.20 -1.07 0.05 0.00 0.02 0.00 0.00 54.13 53.33 1ne3 s LEU 53 Cb -0.14 0.19 -0.02 0.00 0.02 0.00 0.00 46.19 46.25 1ne3 s LEU 53 CO 0.09 -0.62 -0.21 -0.04 0.02 0.00 0.00 176.35 175.59 1ne3 s MET 54 N -3.95 2.51 -0.39 1.70 -1.94 -1.26 -1.84 119.30 114.13 1ne3 s MET 54 Ca 0.13 -0.82 -0.13 0.00 -1.71 0.00 0.00 55.69 53.17 1ne3 s MET 54 Cb 0.07 -2.25 0.03 0.00 2.01 0.00 0.00 34.83 34.69 1ne3 s MET 54 CO -0.05 0.49 0.25 -0.51 -0.01 0.00 0.00 175.02 175.18 1ne3 s LEU 55 N -0.40 4.90 -0.10 -0.03 2.01 -1.03 -4.84 118.68 119.18 1ne3 s LEU 55 Ca 0.04 -0.98 -0.04 0.00 0.01 0.00 0.00 54.13 53.16 1ne3 s LEU 55 Cb -0.12 -2.08 -0.04 0.00 0.01 0.00 0.00 46.19 43.97 1ne3 s LEU 55 CO 0.02 -0.42 0.05 -0.22 1.01 0.00 0.00 176.35 176.79 1ne3 s LEU 56 N 1.60 3.89 0.01 1.79 1.98 -1.26 -2.45 118.68 124.24 1ne3 s LEU 56 Ca 0.03 0.26 -0.34 0.00 -2.89 0.00 0.00 54.13 51.19 1ne3 s LEU 56 Cb -0.19 -1.92 -0.12 0.00 0.66 0.00 0.00 46.19 44.62 1ne3 s LEU 56 CO 0.08 0.38 1.79 0.47 -1.89 0.00 0.00 176.35 177.18 1ne3 n ASP 57 N 2.15 3.41 -4.64 3.68 9.92 -1.26 -4.90 116.55 124.91 1ne3 n ASP 57 Ca -0.19 1.00 -0.42 0.00 -0.53 0.00 0.00 54.79 54.65 1ne3 n ASP 57 Cb 0.54 -1.41 -0.03 0.00 -0.64 0.00 0.00 41.12 39.58 1ne3 n ASP 57 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1ne3 s THR 58 N 3.03 4.73 0.01 -3.53 -1.32 -1.26 -5.00 115.64 112.29 1ne3 s THR 58 Ca 0.88 1.61 -0.30 0.00 -1.21 0.00 0.00 61.69 62.67 1ne3 s THR 58 Cb -0.66 -4.22 -0.05 0.00 -1.51 0.00 0.00 72.50 66.05 1ne3 s THR 58 CO 0.46 -0.22 1.30 -0.63 -2.21 0.00 0.00 174.62 173.32 1ne3 s ILE 59 N 3.10 3.91 -0.04 5.08 1.09 -1.26 -4.98 121.20 128.10 1ne3 s ILE 59 Ca 0.38 1.30 -0.28 0.00 -1.10 0.00 0.00 60.65 60.96 1ne3 s ILE 59 Cb -0.14 -3.84 -0.03 0.00 -1.06 0.00 0.00 42.46 37.39 1ne3 s ILE 59 CO 0.10 0.03 0.90 -0.60 -0.10 0.00 0.00 174.94 175.27 1ne3 s ARG 60 N 1.95 4.50 0.39 2.79 6.06 -1.26 -5.02 118.95 128.36 1ne3 s ARG 60 Ca 0.60 1.25 -0.25 0.00 -2.50 0.00 0.00 55.73 54.84 1ne3 s ARG 60 Cb -0.29 -3.47 -0.09 0.00 0.06 0.00 0.00 34.95 31.16 1ne3 s ARG 60 CO 0.26 -0.07 1.09 -2.00 -2.50 0.00 0.00 175.30 172.09 1ne3 s GLU 61 N 1.13 4.14 -0.34 5.12 2.56 -1.26 -4.99 118.70 125.07 1ne3 s GLU 61 Ca 0.47 1.64 -0.24 0.00 0.00 0.00 0.00 54.97 56.83 1ne3 s GLU 61 Cb -0.20 -2.62 0.01 0.00 2.00 0.00 0.00 34.13 33.32 1ne3 s GLU 61 CO 0.23 -0.19 0.84 0.00 -0.56 0.00 0.00 175.26 175.58 1ne3 s ALA 62 N -1.55 3.47 -0.20 6.30 0.00 -1.26 -5.01 121.76 123.52 1ne3 s ALA 62 Ca 0.57 -0.46 -0.27 0.00 0.00 0.00 0.00 51.96 51.79 1ne3 s ALA 62 Cb -0.25 -3.40 -0.00 0.00 0.00 0.00 0.00 23.12 19.47 1ne3 s ALA 62 CO 0.32 -1.38 0.95 0.15 0.00 0.00 0.00 175.76 175.80 1ne3 s LYS 63 N 3.16 4.28 -0.13 0.00 3.01 -1.26 -5.02 119.74 123.77 1ne3 s LYS 63 Ca 0.34 1.21 -0.12 0.00 -1.01 0.00 0.00 55.97 56.40 1ne3 s LYS 63 Cb -0.13 -3.61 -0.05 0.00 -1.01 0.00 0.00 37.83 33.03 1ne3 s LYS 63 CO 0.15 -0.50 0.26 -2.00 0.51 0.00 0.00 175.35 173.77 1ne3 s GLU 64 N 2.73 4.00 -0.25 1.68 2.12 -1.26 -5.07 118.70 122.65 1ne3 s GLU 64 Ca 0.42 0.06 -0.08 0.00 0.36 0.00 0.00 54.97 55.72 1ne3 s GLU 64 Cb -0.16 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 1ne3 s GLU 64 CO 0.09 0.45 0.11 -1.50 -0.54 0.00 0.00 175.26 173.87 1ne3 s ILE 65 N -0.15 4.65 -0.10 -3.70 2.07 -1.26 -5.06 121.20 117.65 1ne3 s ILE 65 Ca 0.16 -0.06 -0.30 0.00 -1.41 0.00 0.00 60.65 59.05 1ne3 s ILE 65 Cb -0.13 -3.18 -0.03 0.00 0.13 0.00 0.00 42.46 39.25 1ne3 s ILE 65 CO 0.05 0.32 1.22 -0.13 -1.91 0.00 0.00 174.94 174.49 1ne3 s ARG 66 N 1.54 4.31 0.13 3.50 0.52 -1.26 -5.02 118.95 122.67 1ne3 s ARG 66 Ca 0.06 1.66 -0.08 0.00 -0.52 0.00 0.00 55.73 56.85 1ne3 s ARG 66 Cb -0.15 -3.63 -0.06 0.00 0.52 0.00 0.00 34.95 31.63 1ne3 s ARG 66 CO 0.06 -0.54 0.43 0.95 0.02 0.00 0.00 175.30 176.21 1ne3 s THR 67 N 2.67 5.08 -2.00 0.02 -4.23 -1.26 -5.36 115.64 110.56 1ne3 s THR 67 Ca 0.55 0.34 0.24 0.00 -1.18 0.00 0.00 61.69 61.64 1ne3 s THR 67 Cb -0.23 -3.64 0.68 0.00 1.34 0.00 0.00 72.50 70.65 1ne3 s THR 67 CO 0.19 0.14 1.80 -0.81 -0.54 0.00 0.00 174.62 175.40