#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 -1.27 7.83 1.82 -2.01 -3.50 116.42 119.48 1ne3 h ASP 2 Ca 0.00 -0.42 0.02 0.00 -0.39 0.00 0.00 57.03 56.25 1ne3 h ASP 2 Cb 0.00 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 39.94 1ne3 h ASP 2 CO 0.00 1.37 -0.03 -0.67 -1.61 0.00 0.00 179.24 178.30 1ne3 n ASP 3 N -3.26 -5.91 -4.90 2.28 -0.08 -1.26 -4.77 116.55 98.66 1ne3 n ASP 3 Ca -0.22 0.10 -0.34 0.00 -1.51 0.00 0.00 54.79 52.82 1ne3 n ASP 3 Cb 1.05 -0.28 -0.05 0.00 2.34 0.00 0.00 41.12 44.18 1ne3 n ASP 3 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ne3 s ALA 4 N -1.97 3.92 -0.18 -1.67 0.00 -1.26 -4.36 121.76 116.24 1ne3 s ALA 4 Ca 0.00 -0.70 -0.14 0.00 0.00 0.00 0.00 51.96 51.12 1ne3 s ALA 4 Cb 0.00 -1.94 -0.05 0.00 0.00 0.00 0.00 23.12 21.13 1ne3 s ALA 4 CO 0.00 0.71 0.29 0.99 0.00 0.00 0.00 175.76 177.75 1ne3 s THR 5 N -1.31 5.30 -0.83 0.00 2.01 -0.68 -4.75 115.64 115.39 1ne3 s THR 5 Ca 0.27 0.52 -0.25 0.00 0.31 0.00 0.00 61.69 62.54 1ne3 s THR 5 Cb -0.13 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.76 1ne3 s THR 5 CO 0.17 0.37 1.63 -2.16 -0.69 0.00 0.00 174.62 173.94 1ne3 s PRO 6 N 0.63 3.00 0.16 4.92 0.04 -1.26 -2.82 135.00 139.67 1ne3 s PRO 6 Ca 0.16 -0.29 0.08 0.00 0.04 0.00 0.00 61.00 60.98 1ne3 s PRO 6 Cb -0.13 -4.77 -0.04 0.00 0.04 0.00 0.00 34.50 29.60 1ne3 s PRO 6 CO 0.04 -2.61 -0.16 0.00 0.04 0.00 0.00 177.00 174.30 1ne3 s ALA 7 N 7.42 1.87 -0.07 8.56 0.00 -1.17 -3.86 121.76 134.52 1ne3 s ALA 7 Ca 0.54 -1.47 0.04 0.00 0.00 0.00 0.00 51.96 51.07 1ne3 s ALA 7 Cb -0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 1ne3 s ALA 7 CO 0.06 0.16 -0.20 -1.21 0.00 0.00 0.00 175.76 174.57 1ne3 s GLU 8 N -2.95 2.73 0.14 0.00 2.02 -1.26 0.19 118.70 119.57 1ne3 s GLU 8 Ca 0.15 -0.81 -0.34 0.00 0.02 0.00 0.00 54.97 53.99 1ne3 s GLU 8 Cb -0.04 -2.31 -0.16 0.00 0.10 0.00 0.00 34.13 31.71 1ne3 s GLU 8 CO 0.06 0.40 1.23 0.28 0.02 0.00 0.00 175.26 177.25 1ne3 n VAL 9 N 2.93 0.57 -0.03 2.63 0.31 0.68 -3.95 118.33 121.48 1ne3 n VAL 9 Ca -0.18 -0.14 -0.04 0.00 -0.01 0.00 0.00 64.34 63.97 1ne3 n VAL 9 Cb 0.52 -0.85 -0.03 0.00 -0.91 0.00 0.00 33.84 32.57 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 1.88 0.34 -4.25 2.52 -5.35 -0.35 0.15 119.36 114.31 1ne3 n ILE 10 Ca 0.16 -0.14 -0.19 0.00 -0.27 0.00 0.00 62.75 62.31 1ne3 n ILE 10 Cb 0.23 -0.74 -0.12 0.00 -1.74 0.00 0.00 39.64 37.26 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 -2.12 0.87 -0.04 6.28 2.12 -0.49 -4.75 118.70 120.58 1ne3 s GLU 11 Ca -0.07 -0.88 0.06 0.00 0.36 0.00 0.00 54.97 54.44 1ne3 s GLU 11 Cb 0.02 -0.89 -0.01 0.00 0.26 0.00 0.00 34.13 33.51 1ne3 s GLU 11 CO 0.15 0.21 -0.23 0.08 -0.54 0.00 0.00 175.26 174.92 1ne3 s VAL 12 N -1.10 1.87 -0.38 3.70 1.01 -1.26 0.24 120.40 124.47 1ne3 s VAL 12 Ca -0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 60.88 1ne3 s VAL 12 Cb -0.09 -1.57 0.03 0.00 0.00 0.00 0.00 36.38 34.75 1ne3 s VAL 12 CO 0.02 0.53 0.21 -0.76 0.00 0.00 0.00 175.10 175.09 1ne3 s LEU 13 N -0.32 4.74 -0.02 3.92 2.01 -1.14 -4.86 118.68 123.02 1ne3 s LEU 13 Ca 0.02 -1.05 0.03 0.00 0.01 0.00 0.00 54.13 53.14 1ne3 s LEU 13 Cb -0.11 -2.01 -0.00 0.00 0.01 0.00 0.00 46.19 44.08 1ne3 s LEU 13 CO 0.01 -0.40 -0.09 -0.75 1.01 0.00 0.00 176.35 176.13 1ne3 s LYS 14 N 1.53 0.86 -0.21 1.70 2.47 -1.26 -4.09 119.74 120.74 1ne3 s LYS 14 Ca 0.02 -0.31 -0.14 0.00 -1.56 0.00 0.00 55.97 53.98 1ne3 s LYS 14 Cb -0.20 -0.82 -0.04 0.00 -1.46 0.00 0.00 37.83 35.31 1ne3 s LYS 14 CO 0.06 0.15 0.29 1.03 0.16 0.00 0.00 175.35 177.05 1ne3 s ARG 15 N 0.01 4.15 -1.06 4.03 1.81 -1.26 -4.99 118.95 121.64 1ne3 s ARG 15 Ca -0.00 0.02 -0.24 0.00 -1.72 0.00 0.00 55.73 53.79 1ne3 s ARG 15 Cb -0.06 -3.52 -0.08 0.00 -0.45 0.00 0.00 34.95 30.84 1ne3 s ARG 15 CO 0.00 0.05 1.96 0.99 -0.68 0.00 0.00 175.30 177.61 1ne3 s THR 16 N 1.07 3.48 0.00 0.02 2.01 -1.26 -4.68 115.64 116.28 1ne3 s THR 16 Ca 0.14 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.49 1ne3 s THR 16 Cb -0.14 -4.30 0.00 0.00 0.01 0.00 0.00 72.50 68.07 1ne3 s THR 16 CO 0.06 -0.92 0.00 0.61 -0.69 0.00 0.00 174.62 173.68 1ne3 n GLY 17 N 6.25 4.26 1.44 4.40 0.00 -1.26 -5.17 105.19 115.11 1ne3 n GLY 17 Ca 0.43 -0.87 0.17 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.55 -3.27 -0.06 1.61 0.00 -1.26 -4.91 117.12 107.67 1ne3 n MET 18 Ca 0.00 2.67 -0.06 0.00 0.00 0.00 0.00 57.70 60.32 1ne3 n MET 18 Cb 0.00 -3.85 -0.02 0.00 0.00 0.00 0.00 33.22 29.35 1ne3 n MET 18 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1ne3 n THR 19 N -4.34 1.05 -2.08 1.12 -1.04 -1.26 -5.00 114.28 102.72 1ne3 n THR 19 Ca -0.09 0.26 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 1ne3 n THR 19 Cb 0.67 -2.11 0.00 0.00 -1.82 0.00 0.00 70.33 67.07 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 1.52 -0.54 1.43 3.41 0.00 -1.26 -4.87 105.19 104.88 1ne3 n GLY 20 Ca -0.09 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.44 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 0.00 0.00 -5.14 1.61 2.13 -1.26 -5.09 120.64 112.89 1ne3 n GLU 21 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 1ne3 n GLU 21 Cb 0.00 -0.13 -0.16 0.00 0.27 0.00 0.00 31.44 31.42 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 -1.72 2.31 0.25 6.31 1.01 -1.26 -4.51 120.40 122.80 1ne3 s VAL 22 Ca 0.00 -0.96 0.11 0.00 0.00 0.00 0.00 61.98 61.13 1ne3 s VAL 22 Cb 0.00 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 1ne3 s VAL 22 CO 0.00 0.56 -0.16 0.00 0.00 0.00 0.00 175.10 175.51 1ne3 s MET 23 N -0.04 1.81 0.13 2.72 0.23 -0.67 -4.87 119.30 118.62 1ne3 s MET 23 Ca -0.06 -1.61 0.04 0.00 -1.03 0.00 0.00 55.69 53.02 1ne3 s MET 23 Cb -0.15 -1.90 -0.04 0.00 -1.53 0.00 0.00 34.83 31.22 1ne3 s MET 23 CO 0.05 0.36 0.12 1.14 -2.03 0.00 0.00 175.02 174.66 1ne3 s GLN 24 N -3.35 2.92 0.06 3.16 -2.07 -1.26 0.21 119.66 119.34 1ne3 s GLN 24 Ca 0.28 -0.80 0.01 0.00 -1.82 0.00 0.00 55.36 53.03 1ne3 s GLN 24 Cb -0.06 -2.69 -0.04 0.00 -1.09 0.00 0.00 33.01 29.13 1ne3 s GLN 24 CO 0.15 0.51 -0.05 0.54 -1.32 0.00 0.00 175.29 175.13 1ne3 s VAL 25 N -1.63 0.43 -0.16 3.63 0.11 -1.07 -2.88 120.40 118.84 1ne3 s VAL 25 Ca 0.31 -1.64 -0.03 0.00 -2.93 0.00 0.00 61.98 57.69 1ne3 s VAL 25 Cb -0.11 -1.29 -0.02 0.00 -1.53 0.00 0.00 36.38 33.42 1ne3 s VAL 25 CO 0.23 -0.80 -0.06 -0.75 -3.33 0.00 0.00 175.10 170.39 1ne3 s LYS 26 N -3.25 3.59 -0.04 1.54 2.20 0.64 -3.58 119.74 120.86 1ne3 s LYS 26 Ca 0.04 -0.56 -0.00 0.00 -0.36 0.00 0.00 55.97 55.08 1ne3 s LYS 26 Cb 0.02 -2.87 0.03 0.00 -1.51 0.00 0.00 37.83 33.50 1ne3 s LYS 26 CO -0.05 0.20 0.01 0.00 -0.36 0.00 0.00 175.35 175.15 1ne3 s ARG 28 N 1.40 3.45 0.18 0.00 3.52 -1.25 -2.86 118.95 123.39 1ne3 s ARG 28 Ca -0.04 -0.13 -0.33 0.00 -0.13 0.00 0.00 55.73 55.09 1ne3 s ARG 28 Cb -0.13 -3.18 -0.14 0.00 -1.56 0.00 0.00 34.95 29.94 1ne3 s ARG 28 CO -0.03 0.77 1.49 -0.89 -0.81 0.00 0.00 175.30 175.83 1ne3 n ILE 29 N 1.89 0.35 0.02 4.11 5.41 0.40 -4.00 119.36 127.53 1ne3 n ILE 29 Ca -0.19 -0.09 0.10 0.00 1.00 0.00 0.00 62.75 63.57 1ne3 n ILE 29 Cb 0.55 -1.43 -0.12 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 2.87 0.24 -3.53 1.39 4.77 -1.25 -3.19 117.00 118.29 1ne3 n LEU 30 Ca 0.15 0.09 -0.14 0.00 -0.03 0.00 0.00 56.01 56.09 1ne3 n LEU 30 Cb 0.29 0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.33 1ne3 n LEU 30 CO 0.63 -0.02 0.59 1.51 -1.33 0.00 0.00 177.39 178.77 1ne3 s ASP 31 N -4.80 -0.51 0.00 -1.43 -4.77 -1.26 -4.94 116.67 98.96 1ne3 s ASP 31 Ca -0.06 0.48 0.00 0.00 -3.30 0.00 0.00 52.55 49.67 1ne3 s ASP 31 Cb 0.12 0.43 0.00 0.00 -1.09 0.00 0.00 42.92 42.39 1ne3 s ASP 31 CO 0.87 -0.53 0.00 0.61 0.70 0.00 0.00 175.17 176.83 1ne3 n GLY 32 N 0.64 1.01 0.15 2.12 0.00 -1.26 -4.56 105.19 103.30 1ne3 n GLY 32 Ca -0.14 -1.93 -0.08 0.00 0.00 0.00 0.00 46.02 43.87 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 7.24 0.26 -0.01 1.61 2.43 -2.02 -2.77 114.38 121.13 1ne3 h ARG 33 Ca 0.00 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 1ne3 h ARG 33 Cb 0.00 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1ne3 h ARG 33 CO 0.00 0.89 -0.12 -0.25 -1.51 0.00 0.00 179.97 178.99 1ne3 n ASP 34 N -3.78 1.08 0.00 -3.80 8.00 -1.26 -4.98 116.55 111.82 1ne3 n ASP 34 Ca -0.03 -1.09 0.00 0.00 0.71 0.00 0.00 54.79 54.37 1ne3 n ASP 34 Cb 0.72 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.86 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 -0.38 0.00 0.00 -1.24 4.81 -1.05 -1.80 118.16 118.50 1ne3 n LYS 35 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 1ne3 n LYS 35 Cb 0.33 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.38 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 0.00 1.12 3.71 3.14 0.00 -1.19 -5.01 105.19 106.96 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 -0.21 4.18 -0.15 1.61 3.52 -0.74 -4.39 118.95 122.76 1ne3 s ARG 37 Ca 0.00 2.44 0.01 0.00 -0.13 0.00 0.00 55.73 58.04 1ne3 s ARG 37 Cb 0.00 -3.30 -0.00 0.00 -1.56 0.00 0.00 34.95 30.09 1ne3 s ARG 37 CO 0.00 -0.70 -0.17 0.42 -0.81 0.00 0.00 175.30 174.04 1ne3 s ILE 38 N 1.72 2.55 -0.08 4.11 1.09 -1.26 0.15 121.20 129.48 1ne3 s ILE 38 Ca 0.73 -0.81 0.02 0.00 -1.10 0.00 0.00 60.65 59.49 1ne3 s ILE 38 Cb -0.44 -2.06 0.01 0.00 -1.06 0.00 0.00 42.46 38.91 1ne3 s ILE 38 CO 0.32 0.52 -0.13 -0.76 -0.10 0.00 0.00 174.94 174.80 1ne3 s LEU 39 N 0.75 1.63 -0.16 2.97 1.02 -1.13 -5.02 118.68 118.74 1ne3 s LEU 39 Ca -0.07 -0.33 -0.07 0.00 0.02 0.00 0.00 54.13 53.68 1ne3 s LEU 39 Cb -0.16 -0.89 -0.04 0.00 0.02 0.00 0.00 46.19 45.12 1ne3 s LEU 39 CO 0.01 0.02 0.09 -0.89 0.02 0.00 0.00 176.35 175.60 1ne3 s THR 40 N 0.79 5.09 0.03 5.49 2.01 -1.26 -3.97 115.64 123.82 1ne3 s THR 40 Ca -0.12 0.07 -0.04 0.00 0.31 0.00 0.00 61.69 61.90 1ne3 s THR 40 Cb -0.15 -3.26 -0.01 0.00 0.01 0.00 0.00 72.50 69.08 1ne3 s THR 40 CO 0.02 0.52 0.06 -0.13 -0.69 0.00 0.00 174.62 174.40 1ne3 s ARG 41 N -0.17 0.53 -0.24 4.92 3.00 -1.23 -5.02 118.95 120.73 1ne3 s ARG 41 Ca 0.09 -0.74 -0.22 0.00 0.00 0.00 0.00 55.73 54.86 1ne3 s ARG 41 Cb -0.12 0.20 -0.01 0.00 0.00 0.00 0.00 34.95 35.02 1ne3 s ARG 41 CO 0.01 -0.12 0.72 0.54 0.00 0.00 0.00 175.30 176.44 1ne3 s ASN 42 N -2.00 6.70 -0.02 0.23 4.22 -1.26 -2.59 114.94 120.22 1ne3 s ASN 42 Ca -0.07 0.86 0.03 0.00 -2.14 0.00 0.00 52.86 51.54 1ne3 s ASN 42 Cb -0.03 -2.38 -0.00 0.00 1.28 0.00 0.00 41.25 40.12 1ne3 s ASN 42 CO -0.04 -0.42 -0.09 0.54 -2.04 0.00 0.00 177.10 175.05 1ne3 s VAL 43 N 2.58 0.78 -0.04 3.54 0.11 0.56 -4.90 120.40 123.04 1ne3 s VAL 43 Ca 0.30 -0.39 -0.14 0.00 -2.93 0.00 0.00 61.98 58.82 1ne3 s VAL 43 Cb -0.15 -0.67 -0.05 0.00 -1.53 0.00 0.00 36.38 33.97 1ne3 s VAL 43 CO 0.08 0.23 0.37 0.00 -3.33 0.00 0.00 175.10 172.46 1ne3 s MET 44 N -0.04 3.93 0.00 1.54 0.23 -1.26 -1.67 119.30 122.03 1ne3 s MET 44 Ca 0.01 0.33 0.00 0.00 -1.03 0.00 0.00 55.69 54.99 1ne3 s MET 44 Cb -0.06 -3.25 0.00 0.00 -1.53 0.00 0.00 34.83 29.99 1ne3 s MET 44 CO 0.00 0.62 0.00 0.41 -2.03 0.00 0.00 175.02 174.02 1ne3 n GLY 45 N 2.08 2.89 3.56 3.16 0.00 -1.26 -4.93 105.19 110.69 1ne3 n GLY 45 Ca -0.14 -2.06 -0.34 0.00 0.00 0.00 0.00 46.02 43.47 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 -2.45 3.12 -0.12 1.61 0.04 -1.26 -4.89 135.00 131.05 1ne3 s PRO 46 Ca 0.00 -0.92 0.01 0.00 0.04 0.00 0.00 61.00 60.12 1ne3 s PRO 46 Cb 0.00 -5.26 0.02 0.00 0.04 0.00 0.00 34.50 29.30 1ne3 s PRO 46 CO 0.00 -2.86 -0.12 -1.50 0.04 0.00 0.00 177.00 172.55 1ne3 s ILE 47 N 7.50 1.38 0.24 0.56 2.07 -1.26 -5.13 121.20 126.56 1ne3 s ILE 47 Ca 0.59 -0.53 0.04 0.00 -1.41 0.00 0.00 60.65 59.34 1ne3 s ILE 47 Cb -0.02 -1.30 -0.05 0.00 0.13 0.00 0.00 42.46 41.21 1ne3 s ILE 47 CO -0.02 0.42 -0.01 0.00 -1.91 0.00 0.00 174.94 173.42 1ne3 s ARG 48 N 1.38 1.36 -0.02 3.50 3.03 -1.26 -4.95 118.95 121.98 1ne3 s ARG 48 Ca 0.01 -1.69 -0.33 0.00 2.03 0.00 0.00 55.73 55.75 1ne3 s ARG 48 Cb -0.13 -0.69 -0.16 0.00 -1.03 0.00 0.00 34.95 32.93 1ne3 s ARG 48 CO -0.07 -0.07 0.90 -0.85 -1.13 0.00 0.00 175.30 174.08 1ne3 n GLU 49 N -0.44 0.00 0.00 3.89 0.28 -1.26 -2.46 120.64 120.65 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 -1.23 0.00 0.00 1.43 0.00 0.00 31.44 32.28 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 1.35 1.77 3.80 -1.84 0.00 0.40 -4.90 105.19 105.77 1ne3 n GLY 50 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 7.16 -0.09 1.61 -1.08 -1.03 -4.58 116.67 116.66 1ne3 s ASP 51 Ca 0.00 1.57 -0.24 0.00 -0.52 0.00 0.00 52.55 53.36 1ne3 s ASP 51 Cb 0.00 -2.48 -0.03 0.00 -1.46 0.00 0.00 42.92 38.95 1ne3 s ASP 51 CO 0.00 0.00 0.73 -0.63 0.52 0.00 0.00 175.17 175.79 1ne3 s ILE 52 N -1.55 5.01 0.31 4.11 1.01 -1.26 0.25 121.20 129.08 1ne3 s ILE 52 Ca 0.45 1.49 0.11 0.00 0.00 0.00 0.00 60.65 62.70 1ne3 s ILE 52 Cb -0.17 -4.06 -0.06 0.00 0.01 0.00 0.00 42.46 38.17 1ne3 s ILE 52 CO 0.22 0.19 -0.14 -0.76 0.00 0.00 0.00 174.94 174.45 1ne3 s LEU 53 N 1.15 2.67 -0.24 2.97 1.43 0.13 -4.94 118.68 121.84 1ne3 s LEU 53 Ca 0.38 -1.12 -0.06 0.00 -1.03 0.00 0.00 54.13 52.29 1ne3 s LEU 53 Cb -0.18 -1.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.99 1ne3 s LEU 53 CO 0.17 -0.10 0.03 -0.04 0.23 0.00 0.00 176.35 176.64 1ne3 s MET 54 N -3.57 3.53 -0.44 1.70 -1.94 -1.26 -3.02 119.30 114.30 1ne3 s MET 54 Ca 0.31 -0.55 -0.20 0.00 -1.71 0.00 0.00 55.69 53.55 1ne3 s MET 54 Cb -0.01 -3.21 0.03 0.00 2.01 0.00 0.00 34.83 33.65 1ne3 s MET 54 CO 0.16 -0.20 0.59 -0.51 -0.01 0.00 0.00 175.02 175.05 1ne3 s LEU 55 N 1.56 4.61 -0.08 -0.03 2.01 -1.13 -4.77 118.68 120.86 1ne3 s LEU 55 Ca 0.06 -0.45 -0.03 0.00 0.01 0.00 0.00 54.13 53.71 1ne3 s LEU 55 Cb -0.15 -2.63 -0.04 0.00 0.01 0.00 0.00 46.19 43.38 1ne3 s LEU 55 CO 0.01 -0.74 0.08 -0.22 1.01 0.00 0.00 176.35 176.49 1ne3 s LEU 56 N 2.65 3.97 -0.08 1.79 1.98 -1.26 -1.69 118.68 126.04 1ne3 s LEU 56 Ca 0.20 0.27 -0.36 0.00 -2.89 0.00 0.00 54.13 51.35 1ne3 s LEU 56 Cb -0.15 -2.04 -0.13 0.00 0.66 0.00 0.00 46.19 44.52 1ne3 s LEU 56 CO 0.17 0.36 1.77 -0.90 -1.89 0.00 0.00 176.35 175.87 1ne3 n ASP 57 N 1.81 3.06 -4.54 3.68 5.75 -1.26 -4.91 116.55 120.14 1ne3 n ASP 57 Ca -0.17 1.02 -0.41 0.00 -0.01 0.00 0.00 54.79 55.21 1ne3 n ASP 57 Cb 0.54 -1.32 -0.09 0.00 -1.03 0.00 0.00 41.12 39.22 1ne3 n ASP 57 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1ne3 s THR 58 N 3.24 5.13 -0.09 2.12 -4.23 -1.26 -5.04 115.64 115.52 1ne3 s THR 58 Ca 0.91 0.06 -0.30 0.00 -1.18 0.00 0.00 61.69 61.18 1ne3 s THR 58 Cb -0.78 -3.88 -0.04 0.00 1.34 0.00 0.00 72.50 69.14 1ne3 s THR 58 CO 0.52 -0.16 1.39 -0.63 -0.54 0.00 0.00 174.62 175.20 1ne3 s ILE 59 N 2.11 3.97 0.48 2.99 1.01 -1.26 -5.00 121.20 125.50 1ne3 s ILE 59 Ca 0.13 1.23 -0.12 0.00 0.00 0.00 0.00 60.65 61.89 1ne3 s ILE 59 Cb -0.16 -3.79 -0.06 0.00 0.01 0.00 0.00 42.46 38.45 1ne3 s ILE 59 CO 0.12 -0.07 0.89 0.00 0.00 0.00 0.00 174.94 175.87 1ne3 s ARG 60 N 3.26 3.79 0.48 2.79 3.03 -1.26 -5.04 118.95 126.00 1ne3 s ARG 60 Ca 0.62 0.65 -0.21 0.00 2.03 0.00 0.00 55.73 58.82 1ne3 s ARG 60 Cb -0.27 -2.25 -0.07 0.00 -1.03 0.00 0.00 34.95 31.32 1ne3 s ARG 60 CO 0.22 -0.21 1.10 -1.83 -1.13 0.00 0.00 175.30 173.44 1ne3 s GLU 61 N -4.21 3.71 -0.22 3.89 1.03 -1.26 -5.01 118.70 116.62 1ne3 s GLU 61 Ca 0.54 1.57 -0.14 0.00 0.03 0.00 0.00 54.97 56.96 1ne3 s GLU 61 Cb -0.10 -2.21 -0.04 0.00 -0.80 0.00 0.00 34.13 30.97 1ne3 s GLU 61 CO 0.36 -0.55 0.33 0.00 -1.33 0.00 0.00 175.26 174.08 1ne3 s ALA 62 N -1.76 3.57 -0.24 -0.84 0.00 -1.26 -5.06 121.76 116.18 1ne3 s ALA 62 Ca 0.67 -0.67 -0.11 0.00 0.00 0.00 0.00 51.96 51.84 1ne3 s ALA 62 Cb -0.23 -2.57 -0.05 0.00 0.00 0.00 0.00 23.12 20.28 1ne3 s ALA 62 CO 0.27 -0.33 0.20 0.15 0.00 0.00 0.00 175.76 176.05 1ne3 s LYS 63 N 1.37 4.08 0.11 0.00 -0.14 -1.26 -5.08 119.74 118.82 1ne3 s LYS 63 Ca 0.15 -0.20 -0.06 0.00 -1.36 0.00 0.00 55.97 54.51 1ne3 s LYS 63 Cb -0.15 -3.54 -0.05 0.00 -1.68 0.00 0.00 37.83 32.40 1ne3 s LYS 63 CO 0.07 0.03 0.36 -2.00 -0.76 0.00 0.00 175.35 173.06 1ne3 s GLU 64 N 1.13 3.64 -0.26 1.68 2.12 -1.26 -5.07 118.70 120.69 1ne3 s GLU 64 Ca 0.09 -0.04 -0.16 0.00 0.36 0.00 0.00 54.97 55.22 1ne3 s GLU 64 Cb -0.14 -2.92 -0.03 0.00 0.26 0.00 0.00 34.13 31.30 1ne3 s GLU 64 CO 0.05 0.51 0.43 0.42 -0.54 0.00 0.00 175.26 176.14 1ne3 s ILE 65 N -1.55 5.14 0.04 -3.70 1.01 -1.26 -5.05 121.20 115.82 1ne3 s ILE 65 Ca 0.37 0.71 -0.21 0.00 0.00 0.00 0.00 60.65 61.52 1ne3 s ILE 65 Cb -0.13 -3.75 -0.06 0.00 0.01 0.00 0.00 42.46 38.53 1ne3 s ILE 65 CO 0.22 0.14 0.63 -0.13 0.00 0.00 0.00 174.94 175.80 1ne3 s ARG 66 N 2.09 4.33 0.05 2.79 0.52 -1.26 -5.07 118.95 122.40 1ne3 s ARG 66 Ca 0.18 0.82 0.04 0.00 -0.52 0.00 0.00 55.73 56.25 1ne3 s ARG 66 Cb -0.16 -3.31 -0.04 0.00 0.52 0.00 0.00 34.95 31.97 1ne3 s ARG 66 CO 0.09 0.46 -0.02 0.95 0.02 0.00 0.00 175.30 176.80 1ne3 s THR 67 N -0.54 3.93 -2.00 0.02 -4.23 -1.26 -5.36 115.64 106.20 1ne3 s THR 67 Ca 0.32 -0.87 0.24 0.00 -1.18 0.00 0.00 61.69 60.20 1ne3 s THR 67 Cb -0.19 -2.81 0.68 0.00 1.34 0.00 0.00 72.50 71.52 1ne3 s THR 67 CO 0.19 0.24 1.79 -0.81 -0.54 0.00 0.00 174.62 175.49