#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 0.20 0.01 7.83 3.32 -2.01 -3.36 116.42 122.41 1ne3 h ASP 2 Ca 0.00 -0.38 -0.00 0.00 0.02 0.00 0.00 57.03 56.67 1ne3 h ASP 2 Cb 0.00 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1ne3 h ASP 2 CO 0.00 1.33 -0.01 0.44 -1.72 0.00 0.00 179.24 179.29 1ne3 h ASP 3 N 0.04 -0.01 -3.32 6.45 3.32 -2.06 -3.43 116.42 117.40 1ne3 h ASP 3 Ca -0.29 -0.24 -0.67 0.00 0.02 0.00 0.00 57.03 55.85 1ne3 h ASP 3 Cb 2.01 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 41.43 1ne3 h ASP 3 CO 0.11 0.23 -0.63 0.00 -1.72 0.00 0.00 179.24 177.23 1ne3 s ALA 4 N -5.22 3.32 -0.03 3.45 0.00 -1.26 -4.35 121.76 117.67 1ne3 s ALA 4 Ca -0.14 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 50.83 1ne3 s ALA 4 Cb 0.04 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 1ne3 s ALA 4 CO 0.66 0.65 0.20 -0.08 0.00 0.00 0.00 175.76 177.19 1ne3 s THR 5 N -1.08 5.41 -0.29 0.00 -1.32 -0.54 -4.20 115.64 113.61 1ne3 s THR 5 Ca 0.19 0.06 -0.29 0.00 -1.21 0.00 0.00 61.69 60.44 1ne3 s THR 5 Cb -0.12 -3.51 -0.00 0.00 -1.51 0.00 0.00 72.50 67.36 1ne3 s THR 5 CO 0.10 0.42 1.35 -2.16 -2.21 0.00 0.00 174.62 172.12 1ne3 s PRO 6 N -1.62 3.88 0.11 7.08 0.04 -1.26 -2.28 135.00 140.96 1ne3 s PRO 6 Ca 0.24 1.28 0.05 0.00 0.04 0.00 0.00 61.00 62.61 1ne3 s PRO 6 Cb -0.13 -3.91 -0.04 0.00 0.04 0.00 0.00 34.50 30.47 1ne3 s PRO 6 CO 0.14 -1.16 -0.11 0.00 0.04 0.00 0.00 177.00 175.90 1ne3 s ALA 7 N 4.53 1.29 -0.11 8.56 0.00 -1.11 -3.79 121.76 131.14 1ne3 s ALA 7 Ca 0.58 -1.27 0.01 0.00 0.00 0.00 0.00 51.96 51.27 1ne3 s ALA 7 Cb -0.18 -0.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 1ne3 s ALA 7 CO 0.24 -0.00 -0.13 -1.21 0.00 0.00 0.00 175.76 174.66 1ne3 s GLU 8 N -2.92 3.19 0.16 0.00 2.02 -1.24 -0.99 118.70 118.91 1ne3 s GLU 8 Ca 0.08 -0.68 -0.34 0.00 0.02 0.00 0.00 54.97 54.06 1ne3 s GLU 8 Cb -0.03 -2.59 -0.15 0.00 0.10 0.00 0.00 34.13 31.46 1ne3 s GLU 8 CO 0.01 0.32 1.32 0.28 0.02 0.00 0.00 175.26 177.21 1ne3 n VAL 9 N 3.22 0.57 -0.02 2.63 0.31 0.52 -3.53 118.33 122.02 1ne3 n VAL 9 Ca -0.18 -0.14 -0.03 0.00 -0.01 0.00 0.00 64.34 63.98 1ne3 n VAL 9 Cb 0.53 -1.07 -0.02 0.00 -0.91 0.00 0.00 33.84 32.36 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 2.10 0.25 -4.12 2.52 -5.35 -0.45 -0.35 119.36 113.95 1ne3 n ILE 10 Ca 0.15 -0.11 -0.16 0.00 -0.27 0.00 0.00 62.75 62.36 1ne3 n ILE 10 Cb 0.25 -0.74 -0.12 0.00 -1.74 0.00 0.00 39.64 37.30 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 -2.09 0.68 -0.06 6.28 2.56 0.60 -4.83 118.70 121.85 1ne3 s GLU 11 Ca -0.05 -0.87 0.06 0.00 0.00 0.00 0.00 54.97 54.11 1ne3 s GLU 11 Cb 0.01 -0.58 -0.01 0.00 2.00 0.00 0.00 34.13 35.56 1ne3 s GLU 11 CO 0.11 0.12 -0.23 0.08 -0.56 0.00 0.00 175.26 174.78 1ne3 s VAL 12 N -1.34 1.90 -0.34 3.70 1.01 -1.26 0.24 120.40 124.32 1ne3 s VAL 12 Ca -0.06 -0.98 -0.08 0.00 0.00 0.00 0.00 61.98 60.86 1ne3 s VAL 12 Cb -0.10 -1.62 0.03 0.00 0.00 0.00 0.00 36.38 34.69 1ne3 s VAL 12 CO 0.01 0.53 0.13 -0.76 0.00 0.00 0.00 175.10 175.02 1ne3 s LEU 13 N -0.09 4.30 -0.03 3.92 1.02 -1.10 -4.84 118.68 121.87 1ne3 s LEU 13 Ca -0.05 -0.96 0.02 0.00 0.02 0.00 0.00 54.13 53.17 1ne3 s LEU 13 Cb -0.13 -1.92 0.01 0.00 0.02 0.00 0.00 46.19 44.16 1ne3 s LEU 13 CO 0.04 -0.30 -0.08 -0.75 0.02 0.00 0.00 176.35 175.28 1ne3 s LYS 14 N 1.48 0.86 -0.21 1.70 2.47 -1.26 -4.13 119.74 120.66 1ne3 s LYS 14 Ca 0.01 -0.25 -0.00 0.00 -1.56 0.00 0.00 55.97 54.16 1ne3 s LYS 14 Cb -0.19 -0.82 0.05 0.00 -1.46 0.00 0.00 37.83 35.42 1ne3 s LYS 14 CO 0.04 0.08 -0.04 0.50 0.16 0.00 0.00 175.35 176.09 1ne3 s ARG 15 N 0.27 1.40 0.34 4.03 3.52 -1.26 -5.11 118.95 122.15 1ne3 s ARG 15 Ca -0.04 -0.75 -0.27 0.00 -0.13 0.00 0.00 55.73 54.54 1ne3 s ARG 15 Cb -0.09 -2.33 -0.12 0.00 -1.56 0.00 0.00 34.95 30.85 1ne3 s ARG 15 CO 0.00 -0.55 1.14 -2.37 -0.81 0.00 0.00 175.30 172.70 1ne3 n THR 16 N 4.80 2.11 0.00 4.11 5.66 -1.26 -4.82 114.28 124.89 1ne3 n THR 16 Ca -0.12 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.38 1ne3 n THR 16 Cb 0.46 -1.29 0.00 0.00 -1.55 0.00 0.00 70.33 67.95 1ne3 n THR 16 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ne3 n GLY 17 N 1.01 -1.29 3.45 1.09 0.00 -1.26 -4.97 105.19 103.21 1ne3 n GLY 17 Ca 0.07 0.32 -0.21 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 -2.61 0.00 1.61 1.56 -1.26 -4.72 117.12 111.70 1ne3 n MET 18 Ca 0.00 0.72 0.00 0.00 -0.27 0.00 0.00 57.70 58.15 1ne3 n MET 18 Cb 0.00 -5.25 0.00 0.00 2.15 0.00 0.00 33.22 30.12 1ne3 n MET 18 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 1ne3 n THR 19 N -3.71 0.00 -3.61 1.12 -2.24 -1.26 -4.90 114.28 99.67 1ne3 n THR 19 Ca -0.12 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.51 1ne3 n THR 19 Cb 0.62 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.78 1ne3 n THR 19 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ne3 s GLY 20 N -1.04 -0.52 0.15 3.38 0.00 -1.26 -5.03 107.32 103.00 1ne3 s GLY 20 Ca 0.00 1.69 -0.30 0.00 0.00 0.00 0.00 44.72 46.11 1ne3 s GLY 20 CO 0.00 1.40 1.55 -2.09 0.00 0.00 0.00 173.10 173.96 1ne3 h GLU 21 N 4.43 -0.19 -6.69 2.90 4.57 -1.99 -3.40 114.58 114.21 1ne3 h GLU 21 Ca -0.28 0.01 -0.69 0.00 -1.18 0.00 0.00 59.36 57.22 1ne3 h GLU 21 Cb 1.16 0.04 -0.25 0.00 -0.16 0.00 0.00 28.75 29.54 1ne3 h GLU 21 CO 0.18 -0.12 -0.86 0.08 -1.18 0.00 0.00 179.01 177.10 1ne3 s VAL 22 N -5.64 2.32 -0.10 0.32 1.01 -1.26 -4.86 120.40 112.19 1ne3 s VAL 22 Ca -0.13 -1.33 -0.02 0.00 0.00 0.00 0.00 61.98 60.49 1ne3 s VAL 22 Cb 0.11 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1ne3 s VAL 22 CO 0.63 0.36 -0.02 -0.32 0.00 0.00 0.00 175.10 175.75 1ne3 s MET 23 N -1.29 3.10 -0.05 2.72 1.75 -0.36 -4.88 119.30 120.28 1ne3 s MET 23 Ca 0.12 -0.46 -0.02 0.00 -1.25 0.00 0.00 55.69 54.08 1ne3 s MET 23 Cb -0.10 -2.78 -0.04 0.00 2.84 0.00 0.00 34.83 34.75 1ne3 s MET 23 CO 0.03 0.59 0.07 1.14 -0.65 0.00 0.00 175.02 176.20 1ne3 s GLN 24 N -0.58 3.11 0.11 4.11 -2.07 -1.26 0.09 119.66 123.18 1ne3 s GLN 24 Ca 0.09 -0.40 0.04 0.00 -1.82 0.00 0.00 55.36 53.27 1ne3 s GLN 24 Cb -0.12 -2.90 -0.04 0.00 -1.09 0.00 0.00 33.01 28.86 1ne3 s GLN 24 CO 0.02 0.69 -0.10 0.54 -1.32 0.00 0.00 175.29 175.12 1ne3 s VAL 25 N -1.08 0.99 -0.20 3.63 0.11 -1.18 -2.69 120.40 119.98 1ne3 s VAL 25 Ca 0.19 -1.82 -0.06 0.00 -2.93 0.00 0.00 61.98 57.36 1ne3 s VAL 25 Cb -0.12 -1.57 -0.03 0.00 -1.53 0.00 0.00 36.38 33.14 1ne3 s VAL 25 CO 0.09 -0.66 0.02 -0.75 -3.33 0.00 0.00 175.10 170.47 1ne3 s LYS 26 N -3.24 3.67 0.05 1.54 2.20 0.66 -3.63 119.74 120.98 1ne3 s LYS 26 Ca 0.10 -0.49 0.05 0.00 -0.36 0.00 0.00 55.97 55.27 1ne3 s LYS 26 Cb -0.00 -3.13 -0.02 0.00 -1.51 0.00 0.00 37.83 33.17 1ne3 s LYS 26 CO -0.00 0.02 -0.15 0.00 -0.36 0.00 0.00 175.35 174.85 1ne3 s ARG 28 N -1.29 2.60 -0.01 0.00 3.52 -1.23 -2.57 118.95 119.96 1ne3 s ARG 28 Ca 0.02 -0.64 -0.30 0.00 -0.13 0.00 0.00 55.73 54.67 1ne3 s ARG 28 Cb -0.08 -2.46 -0.09 0.00 -1.56 0.00 0.00 34.95 30.76 1ne3 s ARG 28 CO 0.02 0.63 1.99 -0.89 -0.81 0.00 0.00 175.30 176.24 1ne3 n ILE 29 N 2.29 0.70 0.09 4.11 5.41 0.62 -3.72 119.36 128.86 1ne3 n ILE 29 Ca -0.17 -0.17 0.03 0.00 1.00 0.00 0.00 62.75 63.44 1ne3 n ILE 29 Cb 0.52 -2.28 -0.02 0.00 -0.71 0.00 0.00 39.64 37.15 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 10.91 0.00 -7.00 1.39 3.38 -1.88 -2.48 115.31 119.64 1ne3 h LEU 30 Ca -0.49 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.54 1ne3 h LEU 30 Cb 1.25 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.85 1ne3 h LEU 30 CO 0.94 0.43 0.39 1.51 0.09 0.00 0.00 178.44 181.80 1ne3 s ASP 31 N -5.97 -0.44 0.00 -0.43 -4.77 -1.25 -4.88 116.67 98.92 1ne3 s ASP 31 Ca 0.00 0.03 0.00 0.00 -3.30 0.00 0.00 52.55 49.28 1ne3 s ASP 31 Cb 0.08 0.46 0.00 0.00 -1.09 0.00 0.00 42.92 42.37 1ne3 s ASP 31 CO 0.78 -0.74 0.00 0.61 0.70 0.00 0.00 175.17 176.52 1ne3 n GLY 32 N -0.24 0.64 0.08 2.12 0.00 -1.26 -4.57 105.19 101.96 1ne3 n GLY 32 Ca -0.12 -1.74 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 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 1.95 0.11 0.00 1.61 -0.00 -2.02 -3.36 114.38 112.68 1ne3 h ARG 33 Ca 0.00 -0.19 -0.07 0.00 -0.50 0.00 0.00 59.98 59.22 1ne3 h ARG 33 Cb 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 29.97 30.03 1ne3 h ARG 33 CO 0.00 1.01 -0.42 -0.44 0.00 0.00 0.00 179.97 180.12 1ne3 h ASP 34 N 0.03 0.00 -4.26 7.04 3.32 -2.01 -3.51 116.42 117.04 1ne3 h ASP 34 Ca -0.12 -0.58 0.00 0.00 0.02 0.00 0.00 57.03 56.35 1ne3 h ASP 34 Cb 1.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.44 1ne3 h ASP 34 CO 0.15 1.03 -1.00 1.17 -1.72 0.00 0.00 179.24 178.87 1ne3 n LYS 35 N -4.59 -5.39 -0.38 3.56 4.81 -1.26 -4.59 118.16 110.33 1ne3 n LYS 35 Ca -0.14 3.91 0.00 0.00 -0.87 0.00 0.00 58.31 61.20 1ne3 n LYS 35 Cb 0.43 -4.32 0.00 0.00 0.02 0.00 0.00 35.03 31.17 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 0.35 2.08 3.69 3.14 0.00 -0.93 -4.97 105.19 108.55 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 -1.60 0.00 0.00 0.00 173.32 171.72 1ne3 s ARG 37 N -0.02 4.20 -0.18 1.61 3.52 -1.26 -4.48 118.95 122.34 1ne3 s ARG 37 Ca 0.00 2.33 -0.01 0.00 -0.13 0.00 0.00 55.73 57.91 1ne3 s ARG 37 Cb 0.00 -3.52 -0.00 0.00 -1.56 0.00 0.00 34.95 29.87 1ne3 s ARG 37 CO 0.00 -0.70 -0.12 0.42 -0.81 0.00 0.00 175.30 174.09 1ne3 s ILE 38 N 2.35 2.85 0.04 4.11 1.01 -1.26 0.23 121.20 130.53 1ne3 s ILE 38 Ca 0.73 -0.69 0.05 0.00 0.00 0.00 0.00 60.65 60.74 1ne3 s ILE 38 Cb -0.40 -2.24 -0.02 0.00 0.01 0.00 0.00 42.46 39.80 1ne3 s ILE 38 CO 0.32 0.49 -0.15 -0.76 0.00 0.00 0.00 174.94 174.84 1ne3 s LEU 39 N 1.12 2.17 -0.16 2.97 1.02 -1.06 -5.02 118.68 119.73 1ne3 s LEU 39 Ca 0.01 -0.47 -0.03 0.00 0.02 0.00 0.00 54.13 53.66 1ne3 s LEU 39 Cb -0.14 -0.65 -0.02 0.00 0.02 0.00 0.00 46.19 45.39 1ne3 s LEU 39 CO -0.04 0.05 -0.07 -0.89 0.02 0.00 0.00 176.35 175.43 1ne3 s THR 40 N -0.86 3.59 0.05 5.49 2.01 -1.26 -3.51 115.64 121.14 1ne3 s THR 40 Ca 0.02 -0.46 0.03 0.00 0.31 0.00 0.00 61.69 61.59 1ne3 s THR 40 Cb -0.08 -2.56 -0.02 0.00 0.01 0.00 0.00 72.50 69.84 1ne3 s THR 40 CO 0.01 0.49 -0.09 -0.13 -0.69 0.00 0.00 174.62 174.22 1ne3 s ARG 41 N 0.48 0.57 -0.17 4.92 1.81 -1.24 -5.03 118.95 120.29 1ne3 s ARG 41 Ca -0.05 -0.78 -0.22 0.00 -1.72 0.00 0.00 55.73 52.96 1ne3 s ARG 41 Cb -0.15 -0.38 -0.02 0.00 -0.45 0.00 0.00 34.95 33.95 1ne3 s ARG 41 CO 0.03 0.07 0.67 -0.80 -0.68 0.00 0.00 175.30 174.59 1ne3 s ASN 42 N -1.59 6.77 0.01 0.23 0.01 -1.26 -3.08 114.94 116.03 1ne3 s ASN 42 Ca -0.09 0.93 0.02 0.00 -0.71 0.00 0.00 52.86 53.02 1ne3 s ASN 42 Cb -0.10 -2.37 -0.01 0.00 0.41 0.00 0.00 41.25 39.18 1ne3 s ASN 42 CO 0.01 -0.27 -0.08 0.54 -1.51 0.00 0.00 177.10 175.79 1ne3 s VAL 43 N 1.78 0.57 -0.20 1.60 0.11 0.11 -4.94 120.40 119.43 1ne3 s VAL 43 Ca 0.31 -0.59 -0.14 0.00 -2.93 0.00 0.00 61.98 58.63 1ne3 s VAL 43 Cb -0.16 -0.53 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 1ne3 s VAL 43 CO 0.12 -0.03 0.33 -0.32 -3.33 0.00 0.00 175.10 171.86 1ne3 s MET 44 N -0.69 4.16 0.00 1.54 1.75 -1.26 -1.22 119.30 123.58 1ne3 s MET 44 Ca -0.01 0.08 0.00 0.00 -1.25 0.00 0.00 55.69 54.50 1ne3 s MET 44 Cb -0.05 -3.52 0.00 0.00 2.84 0.00 0.00 34.83 34.10 1ne3 s MET 44 CO 0.00 0.03 0.00 0.41 -0.65 0.00 0.00 175.02 174.81 1ne3 n GLY 45 N 3.93 3.62 3.56 2.11 0.00 -1.26 -4.99 105.19 112.16 1ne3 n GLY 45 Ca -0.10 -1.76 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 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 -2.70 3.07 -0.13 1.61 0.04 -1.26 -4.83 135.00 130.81 1ne3 s PRO 46 Ca 0.00 -0.67 0.01 0.00 0.04 0.00 0.00 61.00 60.38 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 -2.76 -0.14 -1.50 0.04 0.00 0.00 177.00 172.64 1ne3 s ILE 47 N 7.47 1.47 0.24 0.56 2.07 -1.26 -5.13 121.20 126.63 1ne3 s ILE 47 Ca 0.57 -0.59 0.04 0.00 -1.41 0.00 0.00 60.65 59.26 1ne3 s ILE 47 Cb -0.04 -1.38 -0.05 0.00 0.13 0.00 0.00 42.46 41.12 1ne3 s ILE 47 CO -0.04 0.44 -0.01 0.00 -1.91 0.00 0.00 174.94 173.42 1ne3 s ARG 48 N 1.33 1.39 0.07 3.50 3.03 -1.26 -4.90 118.95 122.11 1ne3 s ARG 48 Ca 0.01 -1.70 -0.30 0.00 2.03 0.00 0.00 55.73 55.77 1ne3 s ARG 48 Cb -0.14 -0.73 -0.16 0.00 -1.03 0.00 0.00 34.95 32.90 1ne3 s ARG 48 CO -0.07 -0.07 0.72 -0.85 -1.13 0.00 0.00 175.30 173.89 1ne3 n GLU 49 N -0.46 0.00 0.00 3.89 0.28 -1.26 -1.96 120.64 121.13 1ne3 n GLU 49 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 1ne3 n GLU 49 Cb 0.64 -1.10 0.00 0.00 1.43 0.00 0.00 31.44 32.41 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 1.45 2.07 3.78 -1.84 0.00 0.53 -4.93 105.19 106.25 1ne3 n GLY 50 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.05 3.64 -0.13 1.61 -1.08 -0.83 -4.55 116.67 114.28 1ne3 s ASP 51 Ca 0.00 1.06 -0.01 0.00 -0.52 0.00 0.00 52.55 53.08 1ne3 s ASP 51 Cb 0.00 -1.68 -0.02 0.00 -1.46 0.00 0.00 42.92 39.76 1ne3 s ASP 51 CO 0.00 -2.48 -0.10 -0.63 0.52 0.00 0.00 175.17 172.48 1ne3 s ILE 52 N -3.22 3.34 0.22 4.11 1.01 -1.26 0.19 121.20 125.59 1ne3 s ILE 52 Ca 0.63 -0.56 0.07 0.00 0.00 0.00 0.00 60.65 60.78 1ne3 s ILE 52 Cb -0.15 -2.42 -0.05 0.00 0.01 0.00 0.00 42.46 39.85 1ne3 s ILE 52 CO 0.54 0.52 -0.10 -0.76 0.00 0.00 0.00 174.94 175.14 1ne3 s LEU 53 N 0.20 2.50 -0.21 2.97 1.43 -0.17 -4.95 118.68 120.46 1ne3 s LEU 53 Ca -0.06 -1.08 -0.14 0.00 -1.03 0.00 0.00 54.13 51.82 1ne3 s LEU 53 Cb -0.15 -0.58 -0.04 0.00 0.03 0.00 0.00 46.19 45.45 1ne3 s LEU 53 CO 0.04 -0.27 0.32 -0.04 0.23 0.00 0.00 176.35 176.63 1ne3 s MET 54 N -3.70 4.15 -0.39 1.70 -1.94 -1.26 -2.73 119.30 115.12 1ne3 s MET 54 Ca 0.24 0.06 -0.14 0.00 -1.71 0.00 0.00 55.69 54.14 1ne3 s MET 54 Cb 0.01 -3.53 0.02 0.00 2.01 0.00 0.00 34.83 33.34 1ne3 s MET 54 CO 0.07 0.00 0.27 -0.51 -0.01 0.00 0.00 175.02 174.85 1ne3 s LEU 55 N 1.19 4.95 -0.10 -0.03 2.01 -0.96 -4.88 118.68 120.87 1ne3 s LEU 55 Ca 0.15 -0.89 -0.04 0.00 0.01 0.00 0.00 54.13 53.36 1ne3 s LEU 55 Cb -0.14 -2.12 -0.04 0.00 0.01 0.00 0.00 46.19 43.90 1ne3 s LEU 55 CO 0.07 -0.41 0.07 -0.22 1.01 0.00 0.00 176.35 176.86 1ne3 s LEU 56 N 1.65 3.99 -0.01 1.79 1.98 -1.26 -1.46 118.68 125.35 1ne3 s LEU 56 Ca 0.04 0.30 -0.34 0.00 -2.89 0.00 0.00 54.13 51.25 1ne3 s LEU 56 Cb -0.19 -1.96 -0.12 0.00 0.66 0.00 0.00 46.19 44.58 1ne3 s LEU 56 CO 0.09 0.39 1.79 0.47 -1.89 0.00 0.00 176.35 177.20 1ne3 n ASP 57 N 2.02 3.35 -4.72 3.68 9.92 -1.26 -4.93 116.55 124.61 1ne3 n ASP 57 Ca -0.19 1.01 -0.38 0.00 -0.53 0.00 0.00 54.79 54.69 1ne3 n ASP 57 Cb 0.54 -1.39 -0.06 0.00 -0.64 0.00 0.00 41.12 39.57 1ne3 n ASP 57 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1ne3 s THR 58 N 3.10 5.17 -0.03 -3.53 2.01 -1.26 -5.04 115.64 116.06 1ne3 s THR 58 Ca 0.88 1.00 -0.30 0.00 0.31 0.00 0.00 61.69 63.59 1ne3 s THR 58 Cb -0.68 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 67.96 1ne3 s THR 58 CO 0.47 0.32 1.02 -0.51 -0.69 0.00 0.00 174.62 175.23 1ne3 s ILE 59 N 0.65 4.74 0.22 1.82 1.10 -1.26 -5.03 121.20 123.45 1ne3 s ILE 59 Ca 0.27 1.98 -0.16 0.00 -0.51 0.00 0.00 60.65 62.23 1ne3 s ILE 59 Cb -0.15 -4.27 -0.08 0.00 0.15 0.00 0.00 42.46 38.11 1ne3 s ILE 59 CO 0.11 0.10 0.65 0.00 -2.11 0.00 0.00 174.94 173.69 1ne3 s ARG 60 N 1.40 4.06 -0.00 3.50 1.04 -1.26 -5.06 118.95 122.62 1ne3 s ARG 60 Ca 0.52 0.64 -0.15 0.00 -1.04 0.00 0.00 55.73 55.70 1ne3 s ARG 60 Cb -0.21 -2.77 -0.06 0.00 -2.04 0.00 0.00 34.95 29.88 1ne3 s ARG 60 CO 0.25 0.36 0.42 -1.21 -0.04 0.00 0.00 175.30 175.08 1ne3 s GLU 61 N -2.29 3.97 -0.29 3.89 2.02 -1.26 -5.05 118.70 119.69 1ne3 s GLU 61 Ca 0.44 0.44 -0.25 0.00 0.02 0.00 0.00 54.97 55.62 1ne3 s GLU 61 Cb -0.14 -3.24 0.00 0.00 0.10 0.00 0.00 34.13 30.86 1ne3 s GLU 61 CO 0.20 0.65 0.86 0.00 0.02 0.00 0.00 175.26 176.99 1ne3 s ALA 62 N -0.96 3.55 -0.08 5.21 0.00 -1.26 -5.01 121.76 123.20 1ne3 s ALA 62 Ca 0.24 -0.28 -0.27 0.00 0.00 0.00 0.00 51.96 51.65 1ne3 s ALA 62 Cb -0.17 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 1ne3 s ALA 62 CO 0.14 -1.20 0.88 0.21 0.00 0.00 0.00 175.76 175.78 1ne3 s LYS 63 N 3.08 4.43 0.20 0.00 2.47 -1.26 -5.04 119.74 123.62 1ne3 s LYS 63 Ca 0.36 1.18 -0.01 0.00 -1.56 0.00 0.00 55.97 55.94 1ne3 s LYS 63 Cb -0.14 -3.50 -0.04 0.00 -1.46 0.00 0.00 37.83 32.69 1ne3 s LYS 63 CO 0.12 -0.15 0.39 -1.83 0.16 0.00 0.00 175.35 174.04 1ne3 s GLU 64 N 1.46 3.52 -0.04 4.03 -1.05 -1.26 -5.08 118.70 120.27 1ne3 s GLU 64 Ca 0.44 -0.34 -0.17 0.00 -0.15 0.00 0.00 54.97 54.75 1ne3 s GLU 64 Cb -0.18 -2.84 -0.05 0.00 -0.44 0.00 0.00 34.13 30.62 1ne3 s GLU 64 CO 0.19 0.40 0.47 0.42 0.95 0.00 0.00 175.26 177.69 1ne3 s ILE 65 N -1.88 5.05 0.42 1.83 1.01 -1.26 -5.07 121.20 121.31 1ne3 s ILE 65 Ca 0.38 0.97 -0.19 0.00 0.00 0.00 0.00 60.65 61.81 1ne3 s ILE 65 Cb -0.11 -3.80 -0.10 0.00 0.01 0.00 0.00 42.46 38.46 1ne3 s ILE 65 CO 0.29 0.46 0.91 -0.60 0.00 0.00 0.00 174.94 176.00 1ne3 s ARG 66 N -0.28 4.14 0.09 2.79 3.52 -1.26 -5.08 118.95 122.86 1ne3 s ARG 66 Ca 0.26 1.00 0.09 0.00 -0.13 0.00 0.00 55.73 56.95 1ne3 s ARG 66 Cb -0.16 -2.23 -0.03 0.00 -1.56 0.00 0.00 34.95 30.97 1ne3 s ARG 66 CO 0.13 -0.03 -0.24 0.95 -0.81 0.00 0.00 175.30 175.31 1ne3 s THR 67 N -2.21 1.94 -2.00 4.11 -4.23 -1.26 -5.36 115.64 106.64 1ne3 s THR 67 Ca 0.60 -1.50 0.24 0.00 -1.18 0.00 0.00 61.69 59.85 1ne3 s THR 67 Cb -0.09 -1.71 0.68 0.00 1.34 0.00 0.00 72.50 72.72 1ne3 s THR 67 CO 0.17 0.13 1.80 -0.81 -0.54 0.00 0.00 174.62 175.37