#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ne3 h ASP 2 N 0.00 0.00 0.00 6.12 5.19 -2.03 -3.37 116.42 122.33 1ne3 h ASP 2 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1ne3 h ASP 2 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1ne3 h ASP 2 CO 0.00 0.25 0.00 0.47 -3.12 0.00 0.00 179.24 176.84 1ne3 n ASP 3 N -3.22 0.00 -4.85 6.45 8.00 -1.26 -4.54 116.55 117.13 1ne3 n ASP 3 Ca 0.02 0.44 -0.35 0.00 0.71 0.00 0.00 54.79 55.61 1ne3 n ASP 3 Cb 0.57 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.61 1ne3 n ASP 3 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ne3 s ALA 4 N -2.76 3.57 0.03 2.24 0.00 -1.26 -4.23 121.76 119.35 1ne3 s ALA 4 Ca 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 51.96 51.76 1ne3 s ALA 4 Cb 0.00 -2.52 -0.05 0.00 0.00 0.00 0.00 23.12 20.56 1ne3 s ALA 4 CO 0.00 0.46 0.26 -0.08 0.00 0.00 0.00 175.76 176.40 1ne3 s THR 5 N -1.53 5.31 -0.45 0.00 -1.32 -0.33 -4.79 115.64 112.53 1ne3 s THR 5 Ca 0.40 0.03 -0.28 0.00 -1.21 0.00 0.00 61.69 60.62 1ne3 s THR 5 Cb -0.14 -3.58 0.01 0.00 -1.51 0.00 0.00 72.50 67.28 1ne3 s THR 5 CO 0.19 0.28 1.43 -2.16 -2.21 0.00 0.00 174.62 172.16 1ne3 s PRO 6 N -2.01 3.48 0.15 7.08 0.04 -1.26 -2.88 135.00 139.60 1ne3 s PRO 6 Ca 0.30 0.82 0.06 0.00 0.04 0.00 0.00 61.00 62.22 1ne3 s PRO 6 Cb -0.13 -4.06 -0.04 0.00 0.04 0.00 0.00 34.50 30.31 1ne3 s PRO 6 CO 0.19 -1.69 -0.13 0.00 0.04 0.00 0.00 177.00 175.41 1ne3 s ALA 7 N 5.71 1.63 -0.07 8.56 0.00 -1.12 -3.67 121.76 132.81 1ne3 s ALA 7 Ca 0.60 -1.46 0.05 0.00 0.00 0.00 0.00 51.96 51.14 1ne3 s ALA 7 Cb -0.13 -0.04 -0.00 0.00 0.00 0.00 0.00 23.12 22.95 1ne3 s ALA 7 CO 0.31 0.03 -0.21 -1.21 0.00 0.00 0.00 175.76 174.67 1ne3 s GLU 8 N -3.30 2.44 -0.21 0.00 0.41 -1.25 -0.78 118.70 116.00 1ne3 s GLU 8 Ca 0.15 -0.77 -0.38 0.00 -0.41 0.00 0.00 54.97 53.57 1ne3 s GLU 8 Cb -0.01 -1.97 -0.14 0.00 -1.78 0.00 0.00 34.13 30.22 1ne3 s GLU 8 CO 0.03 0.24 1.82 0.28 -0.49 0.00 0.00 175.26 177.14 1ne3 n VAL 9 N 3.29 0.42 -0.11 2.63 0.31 0.59 -3.78 118.33 121.67 1ne3 n VAL 9 Ca -0.19 -0.08 -0.15 0.00 -0.01 0.00 0.00 64.34 63.91 1ne3 n VAL 9 Cb 0.52 -1.50 -0.11 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 4.92 1.28 -4.22 2.52 -6.64 -0.78 0.24 119.36 116.68 1ne3 n ILE 10 Ca 0.26 -0.53 -0.17 0.00 -1.77 0.00 0.00 62.75 60.54 1ne3 n ILE 10 Cb 0.20 -1.21 -0.15 0.00 -1.44 0.00 0.00 39.64 37.04 1ne3 n ILE 10 CO 0.00 0.00 0.00 -0.70 -1.77 0.00 0.00 176.55 174.08 1ne3 s GLU 11 N -2.45 0.55 -0.06 6.28 2.56 -0.52 -4.73 118.70 120.33 1ne3 s GLU 11 Ca -0.28 -0.22 0.05 0.00 0.00 0.00 0.00 54.97 54.52 1ne3 s GLU 11 Cb 0.07 -0.54 -0.00 0.00 2.00 0.00 0.00 34.13 35.66 1ne3 s GLU 11 CO 0.55 0.12 -0.21 0.54 -0.56 0.00 0.00 175.26 175.69 1ne3 s VAL 12 N -0.05 1.77 -0.36 3.70 0.11 -1.26 0.42 120.40 124.73 1ne3 s VAL 12 Ca 0.01 -0.89 -0.08 0.00 -2.93 0.00 0.00 61.98 58.09 1ne3 s VAL 12 Cb -0.04 -1.52 0.04 0.00 -1.53 0.00 0.00 36.38 33.34 1ne3 s VAL 12 CO -0.00 0.50 0.16 -0.76 -3.33 0.00 0.00 175.10 171.67 1ne3 s LEU 13 N 0.07 4.60 -0.02 2.54 2.01 -0.78 -4.86 118.68 122.24 1ne3 s LEU 13 Ca -0.07 -1.19 0.02 0.00 0.01 0.00 0.00 54.13 52.90 1ne3 s LEU 13 Cb -0.14 -1.93 0.00 0.00 0.01 0.00 0.00 46.19 44.13 1ne3 s LEU 13 CO 0.04 -0.39 -0.08 -1.59 1.01 0.00 0.00 176.35 175.35 1ne3 s LYS 14 N 1.44 0.84 0.03 1.70 -2.85 -1.26 -2.74 119.74 116.91 1ne3 s LYS 14 Ca 0.00 -0.26 0.06 0.00 -1.00 0.00 0.00 55.97 54.77 1ne3 s LYS 14 Cb -0.20 -0.80 -0.02 0.00 -2.06 0.00 0.00 37.83 34.75 1ne3 s LYS 14 CO 0.04 0.09 -0.17 0.50 0.10 0.00 0.00 175.35 175.91 1ne3 s ARG 15 N 0.23 1.16 -0.16 1.78 3.00 -1.26 -5.11 118.95 118.58 1ne3 s ARG 15 Ca -0.03 -0.80 0.01 0.00 -1.00 0.00 0.00 55.73 53.91 1ne3 s ARG 15 Cb -0.08 -1.20 0.02 0.00 0.00 0.00 0.00 34.95 33.69 1ne3 s ARG 15 CO 0.00 0.31 -0.16 0.95 0.00 0.00 0.00 175.30 176.40 1ne3 s THR 16 N -0.75 1.71 -0.40 4.11 -4.23 -1.26 -4.83 115.64 109.98 1ne3 s THR 16 Ca 0.05 -0.74 0.05 0.00 -1.18 0.00 0.00 61.69 59.87 1ne3 s THR 16 Cb -0.08 -1.59 0.31 0.00 1.34 0.00 0.00 72.50 72.48 1ne3 s THR 16 CO 0.01 0.47 1.23 0.61 -0.54 0.00 0.00 174.62 176.40 1ne3 n GLY 17 N 4.73 -0.08 5.00 3.99 0.00 -1.26 -5.00 105.19 112.57 1ne3 n GLY 17 Ca -0.18 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1ne3 n GLY 17 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ne3 n MET 18 N 0.24 0.00 -3.26 1.61 1.56 -1.26 -4.83 117.12 111.18 1ne3 n MET 18 Ca -0.01 0.00 -0.41 0.00 -0.27 0.00 0.00 57.70 57.01 1ne3 n MET 18 Cb 0.73 0.00 -0.08 0.00 2.15 0.00 0.00 33.22 36.02 1ne3 n MET 18 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 1ne3 s THR 19 N 0.00 5.05 -0.35 1.12 2.01 -1.26 -4.98 115.64 117.23 1ne3 s THR 19 Ca 0.00 0.51 0.03 0.00 0.31 0.00 0.00 61.69 62.54 1ne3 s THR 19 Cb 0.00 -3.90 0.19 0.00 0.01 0.00 0.00 72.50 68.80 1ne3 s THR 19 CO 0.00 -0.09 0.72 -0.83 -0.69 0.00 0.00 174.62 173.73 1ne3 s GLY 20 N 1.69 -1.27 -0.01 4.40 0.00 -1.26 -4.84 107.32 106.02 1ne3 s GLY 20 Ca 0.19 0.85 -0.03 0.00 0.00 0.00 0.00 44.72 45.73 1ne3 s GLY 20 CO 0.12 3.81 -0.08 -2.21 0.00 0.00 0.00 173.10 174.75 1ne3 n GLU 21 N 4.72 0.12 -4.00 2.90 2.13 -1.26 -4.99 120.64 120.25 1ne3 n GLU 21 Ca 0.08 0.05 -0.34 0.00 0.66 0.00 0.00 57.16 57.61 1ne3 n GLU 21 Cb 0.57 -0.70 -0.15 0.00 0.27 0.00 0.00 31.44 31.43 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 -2.15 2.68 0.24 6.31 1.01 -1.26 -4.53 120.40 122.70 1ne3 s VAL 22 Ca -0.07 -0.98 0.06 0.00 0.00 0.00 0.00 61.98 60.99 1ne3 s VAL 22 Cb 0.02 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 1ne3 s VAL 22 CO 0.10 0.29 0.25 0.00 0.00 0.00 0.00 175.10 175.74 1ne3 s MET 23 N 1.32 3.10 0.23 2.72 0.23 -1.08 -4.84 119.30 120.98 1ne3 s MET 23 Ca 0.01 -0.94 0.07 0.00 -1.03 0.00 0.00 55.69 53.80 1ne3 s MET 23 Cb -0.16 -2.68 -0.04 0.00 -1.53 0.00 0.00 34.83 30.43 1ne3 s MET 23 CO -0.06 0.41 0.17 1.14 -2.03 0.00 0.00 175.02 174.65 1ne3 s GLN 24 N -3.86 2.89 0.09 3.16 -2.07 -1.11 0.12 119.66 118.89 1ne3 s GLN 24 Ca 0.33 -1.02 0.00 0.00 -1.82 0.00 0.00 55.36 52.85 1ne3 s GLN 24 Cb -0.08 -2.57 -0.04 0.00 -1.09 0.00 0.00 33.01 29.23 1ne3 s GLN 24 CO 0.26 0.42 -0.02 0.54 -1.32 0.00 0.00 175.29 175.17 1ne3 s VAL 25 N -2.04 0.37 -0.06 3.63 0.11 -0.87 -1.86 120.40 119.69 1ne3 s VAL 25 Ca 0.32 -1.88 0.06 0.00 -2.93 0.00 0.00 61.98 57.55 1ne3 s VAL 25 Cb -0.08 -1.72 -0.01 0.00 -1.53 0.00 0.00 36.38 33.03 1ne3 s VAL 25 CO 0.24 -0.81 -0.23 -0.75 -3.33 0.00 0.00 175.10 170.22 1ne3 s LYS 26 N -3.92 2.39 -0.01 1.54 2.20 1.43 -3.15 119.74 120.22 1ne3 s LYS 26 Ca 0.13 -0.84 -0.00 0.00 -0.36 0.00 0.00 55.97 54.90 1ne3 s LYS 26 Cb 0.07 -2.03 0.02 0.00 -1.51 0.00 0.00 37.83 34.38 1ne3 s LYS 26 CO -0.05 0.35 0.02 0.00 -0.36 0.00 0.00 175.35 175.31 1ne3 s ARG 28 N 0.79 3.46 -0.08 0.00 3.52 -1.25 -2.63 118.95 122.77 1ne3 s ARG 28 Ca -0.07 -0.20 -0.32 0.00 -0.13 0.00 0.00 55.73 55.01 1ne3 s ARG 28 Cb -0.09 -3.15 -0.10 0.00 -1.56 0.00 0.00 34.95 30.05 1ne3 s ARG 28 CO -0.02 0.70 1.96 -0.89 -0.81 0.00 0.00 175.30 176.24 1ne3 n ILE 29 N 2.22 0.60 0.10 4.11 5.41 0.62 -3.94 119.36 128.48 1ne3 n ILE 29 Ca -0.19 -0.16 0.02 0.00 1.00 0.00 0.00 62.75 63.42 1ne3 n ILE 29 Cb 0.54 -2.06 -0.01 0.00 -0.71 0.00 0.00 39.64 37.40 1ne3 n ILE 29 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1ne3 h LEU 30 N 10.35 0.00 -7.00 1.39 3.38 -1.88 -2.84 115.31 118.72 1ne3 h LEU 30 Ca -0.47 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.55 1ne3 h LEU 30 Cb 1.26 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.83 1ne3 h LEU 30 CO 0.95 0.52 0.41 1.51 0.09 0.00 0.00 178.44 181.92 1ne3 s ASP 31 N -6.22 -0.46 0.00 -0.43 -4.77 -1.25 -4.92 116.67 98.63 1ne3 s ASP 31 Ca 0.02 0.29 0.00 0.00 -3.30 0.00 0.00 52.55 49.56 1ne3 s ASP 31 Cb 0.08 0.42 0.00 0.00 -1.09 0.00 0.00 42.92 42.33 1ne3 s ASP 31 CO 0.77 -0.57 0.00 0.61 0.70 0.00 0.00 175.17 176.68 1ne3 n GLY 32 N 0.31 -0.11 0.13 2.12 0.00 -1.26 -4.49 105.19 101.89 1ne3 n GLY 32 Ca -0.12 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 4.28 0.00 0.00 1.61 1.12 -2.02 -3.33 114.38 116.03 1ne3 h ARG 33 Ca 0.00 0.00 -0.12 0.00 -1.11 0.00 0.00 59.98 58.75 1ne3 h ARG 33 Cb 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 29.94 1ne3 h ARG 33 CO 0.00 0.62 -0.82 -0.44 -3.11 0.00 0.00 179.97 176.22 1ne3 h ASP 34 N 0.00 0.00 -4.18 -3.80 5.19 -2.01 -3.51 116.42 108.11 1ne3 h ASP 34 Ca -0.01 -0.35 0.00 0.00 -0.62 0.00 0.00 57.03 56.05 1ne3 h ASP 34 Cb 1.37 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.88 1ne3 h ASP 34 CO 0.08 1.14 -0.96 1.17 -3.12 0.00 0.00 179.24 177.55 1ne3 n LYS 35 N -4.53 -5.15 -0.10 3.56 4.81 -1.25 -4.60 118.16 110.89 1ne3 n LYS 35 Ca -0.20 3.74 0.00 0.00 -0.87 0.00 0.00 58.31 60.98 1ne3 n LYS 35 Cb 0.48 -4.16 0.00 0.00 0.02 0.00 0.00 35.03 31.37 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 0.22 2.60 3.70 3.14 0.00 -1.07 -4.97 105.19 108.81 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 -0.07 4.20 -0.07 1.61 0.52 -1.26 -4.48 118.95 119.40 1ne3 s ARG 37 Ca 0.00 2.38 0.05 0.00 -0.52 0.00 0.00 55.73 57.64 1ne3 s ARG 37 Cb 0.00 -3.36 -0.01 0.00 0.52 0.00 0.00 34.95 32.10 1ne3 s ARG 37 CO 0.00 -0.68 -0.24 0.42 0.02 0.00 0.00 175.30 174.82 1ne3 s ILE 38 N 1.87 1.99 0.06 1.52 1.09 -1.26 0.23 121.20 126.69 1ne3 s ILE 38 Ca 0.73 -1.01 0.04 0.00 -1.10 0.00 0.00 60.65 59.31 1ne3 s ILE 38 Cb -0.43 -1.70 -0.03 0.00 -1.06 0.00 0.00 42.46 39.25 1ne3 s ILE 38 CO 0.32 0.55 -0.13 -0.76 -0.10 0.00 0.00 174.94 174.82 1ne3 s LEU 39 N 0.02 2.27 -0.07 2.97 1.02 -1.08 -5.02 118.68 118.80 1ne3 s LEU 39 Ca -0.09 -0.60 0.04 0.00 0.02 0.00 0.00 54.13 53.51 1ne3 s LEU 39 Cb -0.15 -0.43 -0.02 0.00 0.02 0.00 0.00 46.19 45.61 1ne3 s LEU 39 CO 0.05 -0.11 -0.19 -0.89 0.02 0.00 0.00 176.35 175.24 1ne3 s THR 40 N -1.29 2.62 0.01 5.49 2.01 -1.26 -3.26 115.64 119.96 1ne3 s THR 40 Ca -0.04 -0.86 -0.05 0.00 0.31 0.00 0.00 61.69 61.05 1ne3 s THR 40 Cb -0.10 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.39 1ne3 s THR 40 CO 0.02 0.57 0.08 -0.13 -0.69 0.00 0.00 174.62 174.46 1ne3 s ARG 41 N -0.28 0.42 -0.24 4.92 3.00 -1.19 -5.01 118.95 120.57 1ne3 s ARG 41 Ca 0.01 -0.47 -0.22 0.00 0.00 0.00 0.00 55.73 55.05 1ne3 s ARG 41 Cb -0.13 0.17 -0.02 0.00 0.00 0.00 0.00 34.95 34.97 1ne3 s ARG 41 CO 0.03 -0.09 0.71 0.54 0.00 0.00 0.00 175.30 176.48 1ne3 s ASN 42 N -1.39 6.70 -0.03 0.23 2.20 -1.26 -2.06 114.94 119.33 1ne3 s ASN 42 Ca -0.15 0.87 0.01 0.00 -0.94 0.00 0.00 52.86 52.65 1ne3 s ASN 42 Cb -0.08 -2.38 0.02 0.00 -2.00 0.00 0.00 41.25 36.80 1ne3 s ASN 42 CO 0.01 -0.40 -0.03 0.54 -2.94 0.00 0.00 177.10 174.27 1ne3 s VAL 43 N 2.50 0.40 -0.16 3.54 0.11 0.32 -4.94 120.40 122.17 1ne3 s VAL 43 Ca 0.30 -0.09 -0.20 0.00 -2.93 0.00 0.00 61.98 59.05 1ne3 s VAL 43 Cb -0.16 -0.42 -0.03 0.00 -1.53 0.00 0.00 36.38 34.24 1ne3 s VAL 43 CO 0.09 0.17 0.60 -0.32 -3.33 0.00 0.00 175.10 172.30 1ne3 s MET 44 N 0.64 4.28 0.00 1.54 1.75 -1.26 -2.62 119.30 123.63 1ne3 s MET 44 Ca -0.08 0.60 0.00 0.00 -1.25 0.00 0.00 55.69 54.97 1ne3 s MET 44 Cb -0.11 -3.52 0.00 0.00 2.84 0.00 0.00 34.83 34.04 1ne3 s MET 44 CO -0.00 -0.09 0.00 0.41 -0.65 0.00 0.00 175.02 174.69 1ne3 n GLY 45 N 3.57 4.24 3.57 2.11 0.00 -1.26 -4.99 105.19 112.43 1ne3 n GLY 45 Ca -0.03 -1.57 -0.35 0.00 0.00 0.00 0.00 46.02 44.08 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 -3.03 3.15 -0.12 1.61 0.04 -1.26 -4.88 135.00 130.51 1ne3 s PRO 46 Ca 0.00 -1.03 0.01 0.00 0.04 0.00 0.00 61.00 60.02 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 -2.90 -0.14 -1.50 0.04 0.00 0.00 177.00 172.50 1ne3 s ILE 47 N 7.51 1.44 0.17 0.56 2.07 -1.26 -5.13 121.20 126.55 1ne3 s ILE 47 Ca 0.59 -0.59 0.07 0.00 -1.41 0.00 0.00 60.65 59.31 1ne3 s ILE 47 Cb -0.01 -1.34 -0.04 0.00 0.13 0.00 0.00 42.46 41.19 1ne3 s ILE 47 CO 0.00 0.43 -0.15 0.00 -1.91 0.00 0.00 174.94 173.32 1ne3 s ARG 48 N 1.17 1.21 0.09 3.50 3.03 -1.26 -4.95 118.95 121.74 1ne3 s ARG 48 Ca -0.03 -1.44 -0.25 0.00 2.03 0.00 0.00 55.73 56.04 1ne3 s ARG 48 Cb -0.14 -1.05 -0.14 0.00 -1.03 0.00 0.00 34.95 32.59 1ne3 s ARG 48 CO -0.04 0.19 0.55 -0.85 -1.13 0.00 0.00 175.30 174.01 1ne3 n GLU 49 N 0.02 0.00 0.00 3.89 0.28 -1.26 -3.01 120.64 120.56 1ne3 n GLU 49 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 1ne3 n GLU 49 Cb 0.59 -0.90 0.00 0.00 1.43 0.00 0.00 31.44 32.56 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 1.36 2.07 3.92 -1.84 0.00 0.66 -4.92 105.19 106.44 1ne3 n GLY 50 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.00 4.18 -0.00 1.61 1.01 -1.16 -4.62 116.67 115.69 1ne3 s ASP 51 Ca 0.00 0.56 -0.00 0.00 0.71 0.00 0.00 52.55 53.82 1ne3 s ASP 51 Cb 0.00 -0.96 -0.04 0.00 1.01 0.00 0.00 42.92 42.93 1ne3 s ASP 51 CO 0.00 -2.07 0.09 -0.63 0.21 0.00 0.00 175.17 172.77 1ne3 s ILE 52 N -3.60 4.80 0.07 0.77 1.01 -1.26 0.22 121.20 123.21 1ne3 s ILE 52 Ca 0.65 -0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.89 1ne3 s ILE 52 Cb -0.09 -3.21 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 1ne3 s ILE 52 CO 0.49 0.34 -0.02 -0.76 0.00 0.00 0.00 174.94 174.99 1ne3 s LEU 53 N -1.79 2.38 -0.24 2.97 1.02 0.04 -4.85 118.68 118.20 1ne3 s LEU 53 Ca 0.24 -1.03 -0.05 0.00 0.02 0.00 0.00 54.13 53.30 1ne3 s LEU 53 Cb -0.12 0.19 -0.01 0.00 0.02 0.00 0.00 46.19 46.27 1ne3 s LEU 53 CO 0.15 -0.61 0.00 -0.04 0.02 0.00 0.00 176.35 175.88 1ne3 s MET 54 N -3.93 3.36 -0.40 1.70 -1.94 -1.26 -2.79 119.30 114.03 1ne3 s MET 54 Ca 0.10 -0.65 -0.15 0.00 -1.71 0.00 0.00 55.69 53.28 1ne3 s MET 54 Cb 0.08 -3.15 0.02 0.00 2.01 0.00 0.00 34.83 33.79 1ne3 s MET 54 CO -0.08 -0.25 0.29 -0.51 -0.01 0.00 0.00 175.02 174.47 1ne3 s LEU 55 N 1.51 5.06 -0.06 -0.03 2.01 -1.14 -4.85 118.68 121.17 1ne3 s LEU 55 Ca 0.05 -0.86 -0.10 0.00 0.01 0.00 0.00 54.13 53.23 1ne3 s LEU 55 Cb -0.15 -2.16 -0.05 0.00 0.01 0.00 0.00 46.19 43.85 1ne3 s LEU 55 CO -0.01 -0.43 0.25 -0.22 1.01 0.00 0.00 176.35 176.95 1ne3 s LEU 56 N 1.68 4.42 -0.01 1.79 1.98 -1.26 -1.19 118.68 126.08 1ne3 s LEU 56 Ca 0.05 0.66 -0.34 0.00 -2.89 0.00 0.00 54.13 51.61 1ne3 s LEU 56 Cb -0.19 -2.33 -0.12 0.00 0.66 0.00 0.00 46.19 44.21 1ne3 s LEU 56 CO 0.10 0.36 1.82 0.47 -1.89 0.00 0.00 176.35 177.21 1ne3 n ASP 57 N 1.80 3.45 -4.70 3.68 8.00 -1.26 -4.93 116.55 122.59 1ne3 n ASP 57 Ca -0.17 0.99 -0.37 0.00 0.71 0.00 0.00 54.79 55.96 1ne3 n ASP 57 Cb 0.54 -1.40 -0.07 0.00 -0.02 0.00 0.00 41.12 40.16 1ne3 n ASP 57 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ne3 s THR 58 N 3.33 5.27 -0.06 -3.53 2.01 -1.26 -5.06 115.64 116.34 1ne3 s THR 58 Ca 0.89 0.59 -0.24 0.00 0.31 0.00 0.00 61.69 63.24 1ne3 s THR 58 Cb -0.66 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 1ne3 s THR 58 CO 0.47 0.33 0.73 -0.63 -0.69 0.00 0.00 174.62 174.83 1ne3 s ILE 59 N 0.87 5.03 0.38 1.82 1.09 -1.26 -5.03 121.20 124.09 1ne3 s ILE 59 Ca 0.17 1.50 -0.25 0.00 -1.10 0.00 0.00 60.65 60.97 1ne3 s ILE 59 Cb -0.14 -4.07 -0.09 0.00 -1.06 0.00 0.00 42.46 37.11 1ne3 s ILE 59 CO 0.06 0.24 1.11 0.00 -0.10 0.00 0.00 174.94 176.25 1ne3 s ARG 60 N 0.82 4.20 -0.21 2.79 3.03 -1.26 -5.02 118.95 123.30 1ne3 s ARG 60 Ca 0.39 1.70 -0.10 0.00 2.03 0.00 0.00 55.73 59.74 1ne3 s ARG 60 Cb -0.18 -2.71 -0.05 0.00 -1.03 0.00 0.00 34.95 30.98 1ne3 s ARG 60 CO 0.19 -0.16 0.13 -1.21 -1.13 0.00 0.00 175.30 173.13 1ne3 s GLU 61 N -2.23 4.13 -0.14 3.89 2.02 -1.26 -5.07 118.70 120.04 1ne3 s GLU 61 Ca 0.55 -0.25 -0.24 0.00 0.02 0.00 0.00 54.97 55.05 1ne3 s GLU 61 Cb -0.27 -3.44 -0.02 0.00 0.10 0.00 0.00 34.13 30.50 1ne3 s GLU 61 CO 0.34 0.22 0.78 0.00 0.02 0.00 0.00 175.26 176.63 1ne3 s ALA 62 N 0.57 3.47 -0.17 5.21 0.00 -1.26 -5.01 121.76 124.57 1ne3 s ALA 62 Ca 0.07 0.03 -0.29 0.00 0.00 0.00 0.00 51.96 51.77 1ne3 s ALA 62 Cb -0.12 -3.14 -0.00 0.00 0.00 0.00 0.00 23.12 19.86 1ne3 s ALA 62 CO 0.00 -0.51 1.10 0.21 0.00 0.00 0.00 175.76 176.56 1ne3 s LYS 63 N 1.79 4.30 -0.30 0.00 2.47 -1.26 -5.01 119.74 121.73 1ne3 s LYS 63 Ca 0.37 1.47 -0.09 0.00 -1.56 0.00 0.00 55.97 56.15 1ne3 s LYS 63 Cb -0.17 -3.64 -0.02 0.00 -1.46 0.00 0.00 37.83 32.55 1ne3 s LYS 63 CO 0.14 -0.56 0.14 -1.83 0.16 0.00 0.00 175.35 173.40 1ne3 s GLU 64 N 2.91 3.47 -0.33 4.03 -1.05 -1.26 -5.06 118.70 121.41 1ne3 s GLU 64 Ca 0.49 -0.63 -0.14 0.00 -0.15 0.00 0.00 54.97 54.54 1ne3 s GLU 64 Cb -0.18 -3.54 -0.02 0.00 -0.44 0.00 0.00 34.13 29.95 1ne3 s GLU 64 CO 0.12 -0.35 0.32 0.42 0.95 0.00 0.00 175.26 176.72 1ne3 s ILE 65 N 1.63 5.21 -0.05 1.83 1.01 -1.26 -5.04 121.20 124.53 1ne3 s ILE 65 Ca 0.05 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.46 1ne3 s ILE 65 Cb -0.17 -3.75 -0.05 0.00 0.01 0.00 0.00 42.46 38.50 1ne3 s ILE 65 CO 0.06 -0.01 1.47 -0.60 0.00 0.00 0.00 174.94 175.87 1ne3 s ARG 66 N 1.93 4.23 0.03 2.79 6.06 -1.26 -5.00 118.95 127.72 1ne3 s ARG 66 Ca 0.10 2.00 -0.03 0.00 -2.50 0.00 0.00 55.73 55.30 1ne3 s ARG 66 Cb -0.17 -3.77 -0.04 0.00 0.06 0.00 0.00 34.95 31.03 1ne3 s ARG 66 CO 0.11 -0.71 0.23 0.95 -2.50 0.00 0.00 175.30 173.38 1ne3 s THR 67 N 3.26 5.36 -2.00 4.11 -4.23 -1.26 -5.36 115.64 115.52 1ne3 s THR 67 Ca 0.66 -0.13 0.24 0.00 -1.18 0.00 0.00 61.69 61.27 1ne3 s THR 67 Cb -0.30 -3.58 0.68 0.00 1.34 0.00 0.00 72.50 70.64 1ne3 s THR 67 CO 0.25 0.24 1.80 -0.81 -0.54 0.00 0.00 174.62 175.56