#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 1.23 -4.53 6.12 2.03 -1.26 -4.91 116.55 115.23 1ne3 n ASP 2 Ca 0.00 -1.11 -0.27 0.00 0.52 0.00 0.00 54.79 53.92 1ne3 n ASP 2 Cb 0.00 0.77 -0.13 0.00 -0.72 0.00 0.00 41.12 41.05 1ne3 n ASP 2 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ne3 n ASP 3 N -0.84 0.59 -4.28 1.67 9.92 -1.26 -4.85 116.55 117.49 1ne3 n ASP 3 Ca 0.05 -0.60 -0.26 0.00 -0.53 0.00 0.00 54.79 53.45 1ne3 n ASP 3 Cb 0.32 -1.14 -0.13 0.00 -0.64 0.00 0.00 41.12 39.53 1ne3 n ASP 3 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ne3 s ALA 4 N 8.58 1.88 -0.17 2.24 0.00 -1.26 -4.00 121.76 129.03 1ne3 s ALA 4 Ca 1.16 -1.18 -0.12 0.00 0.00 0.00 0.00 51.96 51.82 1ne3 s ALA 4 Cb -0.62 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.13 1ne3 s ALA 4 CO 0.36 0.41 0.22 -0.08 0.00 0.00 0.00 175.76 176.67 1ne3 s THR 5 N -0.96 5.35 -0.34 0.00 -1.32 0.16 -4.76 115.64 113.77 1ne3 s THR 5 Ca 0.08 0.39 -0.29 0.00 -1.21 0.00 0.00 61.69 60.66 1ne3 s THR 5 Cb -0.09 -3.55 0.00 0.00 -1.51 0.00 0.00 72.50 67.35 1ne3 s THR 5 CO 0.03 0.43 1.37 -2.16 -2.21 0.00 0.00 174.62 172.08 1ne3 s PRO 6 N 0.27 3.76 0.14 7.08 0.04 -1.26 -2.19 135.00 142.83 1ne3 s PRO 6 Ca 0.13 1.14 0.06 0.00 0.04 0.00 0.00 61.00 62.37 1ne3 s PRO 6 Cb -0.12 -3.95 -0.04 0.00 0.04 0.00 0.00 34.50 30.42 1ne3 s PRO 6 CO 0.02 -1.32 -0.13 0.00 0.04 0.00 0.00 177.00 175.61 1ne3 s ALA 7 N 4.88 1.53 -0.13 8.56 0.00 -1.10 -4.15 121.76 131.35 1ne3 s ALA 7 Ca 0.59 -1.40 -0.03 0.00 0.00 0.00 0.00 51.96 51.13 1ne3 s ALA 7 Cb -0.16 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 1ne3 s ALA 7 CO 0.28 0.02 -0.04 -1.21 0.00 0.00 0.00 175.76 174.81 1ne3 s GLU 8 N -3.15 3.43 -0.08 0.00 2.02 -1.26 -1.27 118.70 118.40 1ne3 s GLU 8 Ca 0.13 -0.51 -0.35 0.00 0.02 0.00 0.00 54.97 54.25 1ne3 s GLU 8 Cb -0.02 -2.84 -0.13 0.00 0.10 0.00 0.00 34.13 31.24 1ne3 s GLU 8 CO 0.03 0.37 1.79 0.28 0.02 0.00 0.00 175.26 177.75 1ne3 n VAL 9 N 3.14 0.43 -0.12 2.63 0.31 0.33 -3.82 118.33 121.23 1ne3 n VAL 9 Ca -0.18 -0.08 -0.19 0.00 -0.01 0.00 0.00 64.34 63.88 1ne3 n VAL 9 Cb 0.53 -1.68 -0.12 0.00 -0.91 0.00 0.00 33.84 31.66 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 4.70 1.51 -4.48 2.52 -5.35 -0.89 0.27 119.36 117.64 1ne3 n ILE 10 Ca 0.22 -0.56 -0.21 0.00 -0.27 0.00 0.00 62.75 61.94 1ne3 n ILE 10 Cb 0.26 -1.49 -0.15 0.00 -1.74 0.00 0.00 39.64 36.52 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 -2.52 0.97 -0.08 6.28 2.56 -0.70 -4.71 118.70 120.50 1ne3 s GLU 11 Ca -0.34 -0.39 0.04 0.00 0.00 0.00 0.00 54.97 54.27 1ne3 s GLU 11 Cb 0.09 -0.92 0.00 0.00 2.00 0.00 0.00 34.13 35.30 1ne3 s GLU 11 CO 0.60 0.21 -0.20 0.54 -0.56 0.00 0.00 175.26 175.85 1ne3 s VAL 12 N -0.13 1.72 -0.40 3.70 0.11 -1.26 0.42 120.40 124.57 1ne3 s VAL 12 Ca 0.02 -0.83 -0.10 0.00 -2.93 0.00 0.00 61.98 58.14 1ne3 s VAL 12 Cb -0.06 -1.50 0.05 0.00 -1.53 0.00 0.00 36.38 33.34 1ne3 s VAL 12 CO -0.00 0.49 0.23 -0.76 -3.33 0.00 0.00 175.10 171.72 1ne3 s LEU 13 N 0.37 4.91 -0.01 2.54 2.01 -0.86 -4.85 118.68 122.79 1ne3 s LEU 13 Ca -0.15 -1.25 0.02 0.00 0.01 0.00 0.00 54.13 52.76 1ne3 s LEU 13 Cb -0.16 -2.00 -0.01 0.00 0.01 0.00 0.00 46.19 44.03 1ne3 s LEU 13 CO 0.06 -0.46 -0.07 -1.59 1.01 0.00 0.00 176.35 175.31 1ne3 s LYS 14 N 1.49 0.56 -0.17 1.70 -2.85 -1.26 -2.99 119.74 116.22 1ne3 s LYS 14 Ca 0.02 -0.25 0.01 0.00 -1.00 0.00 0.00 55.97 54.75 1ne3 s LYS 14 Cb -0.21 -0.54 0.02 0.00 -2.06 0.00 0.00 37.83 35.03 1ne3 s LYS 14 CO 0.04 0.15 -0.20 1.03 0.10 0.00 0.00 175.35 176.47 1ne3 s ARG 15 N -0.15 3.02 -0.07 1.78 3.00 -1.26 -4.93 118.95 120.34 1ne3 s ARG 15 Ca 0.03 -0.82 -0.05 0.00 0.00 0.00 0.00 55.73 54.88 1ne3 s ARG 15 Cb -0.03 -2.56 0.02 0.00 0.00 0.00 0.00 34.95 32.38 1ne3 s ARG 15 CO -0.00 -0.17 0.10 2.41 0.00 0.00 0.00 175.30 177.64 1ne3 n THR 16 N 4.52-11.57 -1.90 0.02 -1.04 -1.26 -4.79 114.28 98.27 1ne3 n THR 16 Ca -0.21 2.62 -0.37 0.00 -2.04 0.00 0.00 64.05 64.05 1ne3 n THR 16 Cb 0.50 -5.74 0.04 0.00 -1.82 0.00 0.00 70.33 63.30 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 -0.55 2.84 -1.14 3.41 0.00 -1.26 -3.46 107.32 107.16 1ne3 s GLY 17 Ca -0.12 1.19 -0.08 0.00 0.00 0.00 0.00 44.72 45.71 1ne3 s GLY 17 CO 0.32 1.66 0.86 1.03 0.00 0.00 0.00 173.10 176.97 1ne3 n MET 18 N -1.20 -3.12 0.00 2.90 2.81 -1.26 -4.91 117.12 112.35 1ne3 n MET 18 Ca 0.11 0.72 0.10 0.00 -1.81 0.00 0.00 57.70 56.82 1ne3 n MET 18 Cb 0.47 -5.29 0.04 0.00 -0.71 0.00 0.00 33.22 27.73 1ne3 n MET 18 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1ne3 n THR 19 N -3.79 0.00 -3.05 2.03 5.66 -1.22 -5.03 114.28 108.87 1ne3 n THR 19 Ca -0.15 -0.40 -0.12 0.00 -3.05 0.00 0.00 64.05 60.33 1ne3 n THR 19 Cb 0.63 1.33 0.01 0.00 -1.55 0.00 0.00 70.33 70.75 1ne3 n THR 19 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ne3 n GLY 20 N 1.23 -1.44 0.00 1.09 0.00 -1.26 -5.00 105.19 99.80 1ne3 n GLY 20 Ca 0.10 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.90 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 0.32 -0.45 -3.67 1.61 2.13 -1.26 -5.13 120.64 114.17 1ne3 n GLU 21 Ca 0.01 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.47 1ne3 n GLU 21 Cb 0.41 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.03 1ne3 n GLU 21 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1ne3 s VAL 22 N -3.00 5.37 0.24 6.31 1.01 -1.26 -4.59 120.40 124.49 1ne3 s VAL 22 Ca 0.00 0.22 0.10 0.00 0.00 0.00 0.00 61.98 62.30 1ne3 s VAL 22 Cb 0.00 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1ne3 s VAL 22 CO 0.00 0.38 -0.05 0.00 0.00 0.00 0.00 175.10 175.43 1ne3 s MET 23 N 0.74 2.15 0.19 2.72 0.23 -0.74 -4.88 119.30 119.70 1ne3 s MET 23 Ca 0.09 -1.42 0.05 0.00 -1.03 0.00 0.00 55.69 53.37 1ne3 s MET 23 Cb -0.12 -2.11 -0.04 0.00 -1.53 0.00 0.00 34.83 31.03 1ne3 s MET 23 CO 0.02 0.38 0.18 1.14 -2.03 0.00 0.00 175.02 174.71 1ne3 s GLN 24 N -3.43 3.02 0.02 3.16 -2.07 -1.16 0.19 119.66 119.40 1ne3 s GLN 24 Ca 0.29 -0.86 -0.02 0.00 -1.82 0.00 0.00 55.36 52.96 1ne3 s GLN 24 Cb -0.07 -2.69 -0.02 0.00 -1.09 0.00 0.00 33.01 29.14 1ne3 s GLN 24 CO 0.18 0.47 0.01 0.54 -1.32 0.00 0.00 175.29 175.17 1ne3 s VAL 25 N -1.84 0.13 -0.11 3.63 0.11 -0.97 -2.04 120.40 119.30 1ne3 s VAL 25 Ca 0.32 -1.04 -0.02 0.00 -2.93 0.00 0.00 61.98 58.31 1ne3 s VAL 25 Cb -0.10 -0.55 -0.03 0.00 -1.53 0.00 0.00 36.38 34.18 1ne3 s VAL 25 CO 0.25 -0.57 -0.03 -0.75 -3.33 0.00 0.00 175.10 170.66 1ne3 s LYS 26 N -1.96 3.24 -0.01 1.54 2.20 1.42 -3.28 119.74 122.89 1ne3 s LYS 26 Ca -0.11 -0.49 0.00 0.00 -0.36 0.00 0.00 55.97 55.01 1ne3 s LYS 26 Cb -0.06 -2.80 0.01 0.00 -1.51 0.00 0.00 37.83 33.47 1ne3 s LYS 26 CO -0.02 0.48 0.01 0.00 -0.36 0.00 0.00 175.35 175.46 1ne3 s ARG 28 N 0.37 3.07 0.27 0.00 3.00 -1.25 -1.69 118.95 122.72 1ne3 s ARG 28 Ca -0.03 -0.54 -0.30 0.00 -1.00 0.00 0.00 55.73 53.85 1ne3 s ARG 28 Cb -0.05 -2.69 -0.13 0.00 0.00 0.00 0.00 34.95 32.08 1ne3 s ARG 28 CO -0.01 0.51 1.31 -0.89 0.00 0.00 0.00 175.30 176.22 1ne3 n ILE 29 N 2.69 1.38 0.14 4.11 5.41 0.62 -4.03 119.36 129.68 1ne3 n ILE 29 Ca -0.18 -0.34 0.09 0.00 1.00 0.00 0.00 62.75 63.32 1ne3 n ILE 29 Cb 0.53 -1.40 -0.14 0.00 -0.71 0.00 0.00 39.64 37.92 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 1.63 0.14 -3.52 1.39 4.77 -1.26 -3.24 117.00 116.91 1ne3 n LEU 30 Ca 0.10 -0.08 -0.13 0.00 -0.03 0.00 0.00 56.01 55.86 1ne3 n LEU 30 Cb 0.32 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.37 1ne3 n LEU 30 CO 0.62 0.04 0.59 -1.81 -1.33 0.00 0.00 177.39 175.50 1ne3 s ASP 31 N -3.92 -0.50 0.00 -1.43 1.01 -1.26 -4.93 116.67 105.64 1ne3 s ASP 31 Ca -0.05 0.40 0.00 0.00 0.71 0.00 0.00 52.55 53.61 1ne3 s ASP 31 Cb 0.12 0.44 0.00 0.00 1.01 0.00 0.00 42.92 44.49 1ne3 s ASP 31 CO 0.78 -0.56 0.00 0.61 0.21 0.00 0.00 175.17 176.20 1ne3 n GLY 32 N 0.49 3.06 0.26 0.21 0.00 -1.26 -4.61 105.19 103.33 1ne3 n GLY 32 Ca -0.14 -1.88 0.18 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.63 1.61 1.12 -2.04 0.22 114.38 114.66 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 3.86 -0.85 -3.80 8.00 -1.26 -5.02 116.55 114.66 1ne3 n ASP 34 Ca -0.01 -2.09 -0.11 0.00 0.71 0.00 0.00 54.79 53.29 1ne3 n ASP 34 Cb 0.14 -0.45 -0.01 0.00 -0.02 0.00 0.00 41.12 40.77 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 1.28 0.00 -0.02 -1.24 4.81 0.78 0.53 118.16 124.31 1ne3 n LYS 35 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 1ne3 n LYS 35 Cb 0.63 -0.28 0.00 0.00 0.02 0.00 0.00 35.03 35.40 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 0.29 1.13 3.70 3.14 0.00 -1.20 -5.00 105.19 107.24 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 -0.62 4.18 -0.08 1.61 3.52 0.19 -4.47 118.95 123.28 1ne3 s ARG 37 Ca 0.00 2.43 0.03 0.00 -0.13 0.00 0.00 55.73 58.06 1ne3 s ARG 37 Cb 0.00 -3.47 -0.02 0.00 -1.56 0.00 0.00 34.95 29.91 1ne3 s ARG 37 CO 0.00 -0.74 -0.17 0.42 -0.81 0.00 0.00 175.30 174.00 1ne3 s ILE 38 N 2.25 2.80 0.03 4.11 1.09 -1.26 0.23 121.20 130.45 1ne3 s ILE 38 Ca 0.75 -0.79 0.03 0.00 -1.10 0.00 0.00 60.65 59.54 1ne3 s ILE 38 Cb -0.43 -2.11 -0.02 0.00 -1.06 0.00 0.00 42.46 38.84 1ne3 s ILE 38 CO 0.33 0.56 -0.10 -0.76 -0.10 0.00 0.00 174.94 174.88 1ne3 s LEU 39 N -0.22 2.17 -0.07 2.97 2.01 -0.68 -5.01 118.68 119.86 1ne3 s LEU 39 Ca -0.00 -0.41 0.05 0.00 0.01 0.00 0.00 54.13 53.77 1ne3 s LEU 39 Cb -0.13 -0.35 -0.00 0.00 0.01 0.00 0.00 46.19 45.72 1ne3 s LEU 39 CO 0.03 -0.06 -0.21 -0.89 1.01 0.00 0.00 176.35 176.23 1ne3 s THR 40 N -0.90 1.79 0.04 5.49 2.01 -1.26 -2.80 115.64 120.01 1ne3 s THR 40 Ca -0.03 -0.90 -0.05 0.00 0.31 0.00 0.00 61.69 61.03 1ne3 s THR 40 Cb -0.07 -1.54 -0.02 0.00 0.01 0.00 0.00 72.50 70.88 1ne3 s THR 40 CO 0.01 0.50 0.07 -0.13 -0.69 0.00 0.00 174.62 174.38 1ne3 s ARG 41 N 0.11 0.60 -0.24 4.92 3.00 -1.21 -5.00 118.95 121.14 1ne3 s ARG 41 Ca -0.09 -0.85 -0.23 0.00 0.00 0.00 0.00 55.73 54.56 1ne3 s ARG 41 Cb -0.15 0.23 -0.01 0.00 0.00 0.00 0.00 34.95 35.02 1ne3 s ARG 41 CO 0.05 -0.15 0.73 -0.80 0.00 0.00 0.00 175.30 175.13 1ne3 s ASN 42 N -2.31 6.72 0.00 0.23 -0.87 -1.26 -2.29 114.94 115.16 1ne3 s ASN 42 Ca -0.02 0.89 0.03 0.00 -1.57 0.00 0.00 52.86 52.19 1ne3 s ASN 42 Cb 0.01 -2.39 -0.01 0.00 -0.02 0.00 0.00 41.25 38.84 1ne3 s ASN 42 CO -0.06 -0.44 -0.11 0.54 -2.57 0.00 0.00 177.10 174.46 1ne3 s VAL 43 N 2.62 0.87 -0.21 1.60 0.11 0.51 -4.92 120.40 120.98 1ne3 s VAL 43 Ca 0.31 -0.57 -0.13 0.00 -2.93 0.00 0.00 61.98 58.66 1ne3 s VAL 43 Cb -0.15 -0.75 -0.05 0.00 -1.53 0.00 0.00 36.38 33.90 1ne3 s VAL 43 CO 0.08 0.17 0.25 -0.32 -3.33 0.00 0.00 175.10 171.96 1ne3 s MET 44 N -0.46 4.14 0.00 1.54 1.75 -1.26 -1.79 119.30 123.23 1ne3 s MET 44 Ca 0.03 -0.06 0.00 0.00 -1.25 0.00 0.00 55.69 54.41 1ne3 s MET 44 Cb -0.05 -3.51 0.00 0.00 2.84 0.00 0.00 34.83 34.11 1ne3 s MET 44 CO -0.00 0.08 0.00 0.41 -0.65 0.00 0.00 175.02 174.86 1ne3 n GLY 45 N 3.97 4.13 3.57 2.11 0.00 -1.26 -4.99 105.19 112.72 1ne3 n GLY 45 Ca -0.12 -1.59 -0.35 0.00 0.00 0.00 0.00 46.02 43.96 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 -3.17 3.15 -0.10 1.61 0.04 -1.26 -4.91 135.00 130.35 1ne3 s PRO 46 Ca 0.00 -1.03 0.01 0.00 0.04 0.00 0.00 61.00 60.03 1ne3 s PRO 46 Cb 0.00 -5.28 0.02 0.00 0.04 0.00 0.00 34.50 29.28 1ne3 s PRO 46 CO 0.00 -2.89 -0.13 -1.50 0.04 0.00 0.00 177.00 172.51 1ne3 s ILE 47 N 7.49 1.36 0.18 0.56 -1.16 -1.26 -5.13 121.20 123.24 1ne3 s ILE 47 Ca 0.59 -0.56 0.07 0.00 -0.51 0.00 0.00 60.65 60.25 1ne3 s ILE 47 Cb -0.01 -1.26 -0.04 0.00 0.61 0.00 0.00 42.46 41.75 1ne3 s ILE 47 CO 0.00 0.41 -0.15 0.00 -2.81 0.00 0.00 174.94 172.40 1ne3 s ARG 48 N 1.06 1.25 0.02 3.50 3.03 -1.26 -4.97 118.95 121.58 1ne3 s ARG 48 Ca -0.06 -1.50 -0.22 0.00 2.03 0.00 0.00 55.73 55.99 1ne3 s ARG 48 Cb -0.15 -1.08 -0.11 0.00 -1.03 0.00 0.00 34.95 32.58 1ne3 s ARG 48 CO -0.02 0.19 0.56 -0.85 -1.13 0.00 0.00 175.30 174.05 1ne3 n GLU 49 N -0.12 0.00 0.00 3.89 0.28 -1.26 -2.76 120.64 120.67 1ne3 n GLU 49 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.90 1ne3 n GLU 49 Cb 0.59 -0.81 0.00 0.00 1.43 0.00 0.00 31.44 32.65 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 0.90 1.88 3.86 -1.84 0.00 0.76 -4.90 105.19 105.85 1ne3 n GLY 50 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 5.80 -0.13 1.61 2.15 -1.11 -4.56 116.67 118.43 1ne3 s ASP 51 Ca 0.00 1.37 -0.08 0.00 0.43 0.00 0.00 52.55 54.27 1ne3 s ASP 51 Cb 0.00 -2.31 -0.04 0.00 -0.30 0.00 0.00 42.92 40.27 1ne3 s ASP 51 CO 0.00 -1.14 0.15 -0.63 -0.17 0.00 0.00 175.17 173.37 1ne3 s ILE 52 N -3.21 5.49 0.10 4.11 1.09 -1.26 0.12 121.20 127.64 1ne3 s ILE 52 Ca 0.57 0.22 0.01 0.00 -1.10 0.00 0.00 60.65 60.35 1ne3 s ILE 52 Cb -0.12 -3.42 -0.04 0.00 -1.06 0.00 0.00 42.46 37.82 1ne3 s ILE 52 CO 0.54 0.60 -0.03 -0.76 -0.10 0.00 0.00 174.94 175.18 1ne3 s LEU 53 N -0.85 2.33 -0.25 2.97 2.01 -0.39 -4.95 118.68 119.55 1ne3 s LEU 53 Ca 0.14 -1.06 -0.07 0.00 0.01 0.00 0.00 54.13 53.15 1ne3 s LEU 53 Cb -0.12 0.06 -0.03 0.00 0.01 0.00 0.00 46.19 46.11 1ne3 s LEU 53 CO 0.03 -0.56 0.07 -0.04 1.01 0.00 0.00 176.35 176.87 1ne3 s MET 54 N -3.90 3.63 -0.39 1.70 -1.94 -1.26 -2.70 119.30 114.43 1ne3 s MET 54 Ca 0.14 -0.49 -0.14 0.00 -1.71 0.00 0.00 55.69 53.49 1ne3 s MET 54 Cb 0.06 -3.32 0.02 0.00 2.01 0.00 0.00 34.83 33.60 1ne3 s MET 54 CO -0.04 -0.20 0.27 -0.51 -0.01 0.00 0.00 175.02 174.54 1ne3 s LEU 55 N 1.61 4.94 -0.09 -0.03 1.02 -0.93 -4.85 118.68 120.35 1ne3 s LEU 55 Ca 0.06 -0.85 -0.09 0.00 0.02 0.00 0.00 54.13 53.27 1ne3 s LEU 55 Cb -0.15 -2.13 -0.04 0.00 0.02 0.00 0.00 46.19 43.89 1ne3 s LEU 55 CO 0.03 -0.41 0.21 -0.22 0.02 0.00 0.00 176.35 175.98 1ne3 s LEU 56 N 1.66 4.41 -0.02 1.79 2.96 -1.26 -0.67 118.68 127.55 1ne3 s LEU 56 Ca 0.05 0.59 -0.34 0.00 -0.22 0.00 0.00 54.13 54.21 1ne3 s LEU 56 Cb -0.19 -2.20 -0.12 0.00 0.50 0.00 0.00 46.19 44.18 1ne3 s LEU 56 CO 0.09 0.39 1.80 0.47 -1.32 0.00 0.00 176.35 177.79 1ne3 n ASP 57 N 1.95 3.38 -4.68 3.68 8.00 -1.26 -4.91 116.55 122.71 1ne3 n ASP 57 Ca -0.18 1.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.90 1ne3 n ASP 57 Cb 0.54 -1.39 -0.04 0.00 -0.02 0.00 0.00 41.12 40.22 1ne3 n ASP 57 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1ne3 s THR 58 N 3.24 4.86 0.25 -3.53 -1.32 -1.26 -5.02 115.64 112.86 1ne3 s THR 58 Ca 0.89 1.77 -0.30 0.00 -1.21 0.00 0.00 61.69 62.84 1ne3 s THR 58 Cb -0.68 -4.19 -0.09 0.00 -1.51 0.00 0.00 72.50 66.02 1ne3 s THR 58 CO 0.48 0.04 1.03 -0.63 -2.21 0.00 0.00 174.62 173.33 1ne3 s ILE 59 N 1.96 3.76 -0.18 5.08 -1.09 -1.26 -5.01 121.20 124.47 1ne3 s ILE 59 Ca 0.42 1.75 -0.24 0.00 -2.23 0.00 0.00 60.65 60.35 1ne3 s ILE 59 Cb -0.17 -4.11 -0.02 0.00 -1.58 0.00 0.00 42.46 36.58 1ne3 s ILE 59 CO 0.15 0.41 0.76 -0.13 -1.23 0.00 0.00 174.94 174.90 1ne3 s ARG 60 N -1.23 4.26 -0.10 2.79 0.52 -1.26 -5.04 118.95 118.89 1ne3 s ARG 60 Ca 0.43 0.87 -0.12 0.00 -0.52 0.00 0.00 55.73 56.40 1ne3 s ARG 60 Cb -0.29 -3.58 -0.05 0.00 0.52 0.00 0.00 34.95 31.55 1ne3 s ARG 60 CO 0.37 -0.31 0.27 -2.00 0.02 0.00 0.00 175.30 173.65 1ne3 s GLU 61 N 2.10 3.87 -0.02 3.54 2.12 -1.26 -5.08 118.70 123.97 1ne3 s GLU 61 Ca 0.35 0.11 -0.07 0.00 0.36 0.00 0.00 54.97 55.71 1ne3 s GLU 61 Cb -0.16 -3.28 -0.05 0.00 0.26 0.00 0.00 34.13 30.90 1ne3 s GLU 61 CO 0.11 0.57 0.26 0.00 -0.54 0.00 0.00 175.26 175.66 1ne3 s ALA 62 N -0.55 3.84 -0.17 6.30 0.00 -1.26 -5.07 121.76 124.86 1ne3 s ALA 62 Ca 0.18 -0.56 -0.23 0.00 0.00 0.00 0.00 51.96 51.35 1ne3 s ALA 62 Cb -0.14 -2.08 -0.02 0.00 0.00 0.00 0.00 23.12 20.88 1ne3 s ALA 62 CO 0.07 0.63 0.72 0.21 0.00 0.00 0.00 175.76 177.39 1ne3 s LYS 63 N -1.56 4.28 0.26 0.00 2.20 -1.26 -5.05 119.74 118.61 1ne3 s LYS 63 Ca 0.25 0.82 -0.01 0.00 -0.36 0.00 0.00 55.97 56.67 1ne3 s LYS 63 Cb -0.13 -3.56 -0.04 0.00 -1.51 0.00 0.00 37.83 32.59 1ne3 s LYS 63 CO 0.14 -0.23 0.46 -2.00 -0.36 0.00 0.00 175.35 173.36 1ne3 s GLU 64 N 1.84 3.52 0.08 4.03 2.12 -1.26 -5.08 118.70 123.95 1ne3 s GLU 64 Ca 0.34 -0.31 -0.18 0.00 0.36 0.00 0.00 54.97 55.18 1ne3 s GLU 64 Cb -0.16 -2.76 -0.07 0.00 0.26 0.00 0.00 34.13 31.40 1ne3 s GLU 64 CO 0.12 0.30 0.55 0.42 -0.54 0.00 0.00 175.26 176.11 1ne3 s ILE 65 N -2.04 4.78 -0.07 -3.70 1.09 -1.26 -5.06 121.20 114.94 1ne3 s ILE 65 Ca 0.39 1.13 -0.13 0.00 -1.10 0.00 0.00 60.65 60.94 1ne3 s ILE 65 Cb -0.10 -3.86 -0.05 0.00 -1.06 0.00 0.00 42.46 37.39 1ne3 s ILE 65 CO 0.31 0.51 0.33 -0.60 -0.10 0.00 0.00 174.94 175.39 1ne3 s ARG 66 N -1.24 3.94 0.26 2.79 3.52 -1.26 -5.08 118.95 121.89 1ne3 s ARG 66 Ca 0.30 0.23 -0.16 0.00 -0.13 0.00 0.00 55.73 55.96 1ne3 s ARG 66 Cb -0.19 -3.28 -0.08 0.00 -1.56 0.00 0.00 34.95 29.84 1ne3 s ARG 66 CO 0.18 0.56 0.70 0.95 -0.81 0.00 0.00 175.30 176.89 1ne3 s THR 67 N -0.56 4.67 -2.00 4.11 -4.23 -1.26 -5.37 115.64 111.00 1ne3 s THR 67 Ca 0.20 1.03 0.24 0.00 -1.18 0.00 0.00 61.69 61.99 1ne3 s THR 67 Cb -0.15 -3.71 0.68 0.00 1.34 0.00 0.00 72.50 70.66 1ne3 s THR 67 CO 0.09 0.00 1.80 -0.81 -0.54 0.00 0.00 174.62 175.16