#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 0.08 -0.17 7.83 3.32 -2.02 -3.37 116.42 122.08 1ne3 h ASP 2 Ca 0.00 -0.13 0.02 0.00 0.02 0.00 0.00 57.03 56.95 1ne3 h ASP 2 Cb 0.00 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 1ne3 h ASP 2 CO 0.00 1.11 -0.31 -0.78 -1.72 0.00 0.00 179.24 177.54 1ne3 h ASP 3 N 0.01 -1.01 -3.45 6.45 1.82 -2.06 -3.40 116.42 114.79 1ne3 h ASP 3 Ca -0.22 0.13 -0.54 0.00 -0.39 0.00 0.00 57.03 56.01 1ne3 h ASP 3 Cb 1.96 0.41 -0.03 0.00 0.68 0.00 0.00 39.33 42.34 1ne3 h ASP 3 CO 0.10 -0.24 -0.00 0.00 -1.61 0.00 0.00 179.24 177.49 1ne3 s ALA 4 N -4.78 3.50 -0.07 -0.78 0.00 -1.26 -4.67 121.76 113.71 1ne3 s ALA 4 Ca -0.08 -0.02 -0.07 0.00 0.00 0.00 0.00 51.96 51.78 1ne3 s ALA 4 Cb 0.04 -2.64 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 1ne3 s ALA 4 CO 0.34 0.40 0.20 -0.08 0.00 0.00 0.00 175.76 176.62 1ne3 s THR 5 N -1.55 5.41 -0.22 0.00 -1.32 -1.03 -4.67 115.64 112.26 1ne3 s THR 5 Ca 0.41 0.21 -0.29 0.00 -1.21 0.00 0.00 61.69 60.81 1ne3 s THR 5 Cb -0.15 -3.48 -0.01 0.00 -1.51 0.00 0.00 72.50 67.35 1ne3 s THR 5 CO 0.20 0.53 1.30 -2.16 -2.21 0.00 0.00 174.62 172.28 1ne3 s PRO 6 N -1.30 4.08 0.08 7.08 0.04 -1.26 -2.94 135.00 140.78 1ne3 s PRO 6 Ca 0.20 1.51 0.02 0.00 0.04 0.00 0.00 61.00 62.77 1ne3 s PRO 6 Cb -0.13 -3.83 -0.04 0.00 0.04 0.00 0.00 34.50 30.55 1ne3 s PRO 6 CO 0.09 -0.90 -0.07 0.00 0.04 0.00 0.00 177.00 176.16 1ne3 s ALA 7 N 3.95 0.88 -0.09 8.56 0.00 -1.08 -3.64 121.76 130.34 1ne3 s ALA 7 Ca 0.56 -1.20 0.03 0.00 0.00 0.00 0.00 51.96 51.36 1ne3 s ALA 7 Cb -0.20 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 1ne3 s ALA 7 CO 0.19 -0.17 -0.20 -1.21 0.00 0.00 0.00 175.76 174.37 1ne3 s GLU 8 N -3.23 2.93 -0.15 0.00 2.02 -1.25 -0.62 118.70 118.41 1ne3 s GLU 8 Ca 0.06 -0.80 -0.38 0.00 0.02 0.00 0.00 54.97 53.87 1ne3 s GLU 8 Cb 0.01 -2.37 -0.15 0.00 0.10 0.00 0.00 34.13 31.72 1ne3 s GLU 8 CO -0.03 0.31 1.71 0.28 0.02 0.00 0.00 175.26 177.55 1ne3 n VAL 9 N 3.19 0.31 -0.11 2.63 0.31 0.53 -3.81 118.33 121.38 1ne3 n VAL 9 Ca -0.18 -0.06 -0.16 0.00 -0.01 0.00 0.00 64.34 63.93 1ne3 n VAL 9 Cb 0.52 -1.35 -0.10 0.00 -0.91 0.00 0.00 33.84 32.00 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 4.36 1.31 -4.42 2.52 -6.64 -0.81 0.19 119.36 115.88 1ne3 n ILE 10 Ca 0.24 -0.49 -0.20 0.00 -1.77 0.00 0.00 62.75 60.53 1ne3 n ILE 10 Cb 0.19 -1.34 -0.14 0.00 -1.44 0.00 0.00 39.64 36.91 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 -2.46 0.92 -0.02 6.28 2.56 -0.60 -4.75 118.70 120.62 1ne3 s GLU 11 Ca -0.31 -0.57 0.07 0.00 0.00 0.00 0.00 54.97 54.16 1ne3 s GLU 11 Cb 0.08 -0.89 -0.02 0.00 2.00 0.00 0.00 34.13 35.30 1ne3 s GLU 11 CO 0.52 0.23 -0.22 0.54 -0.56 0.00 0.00 175.26 175.77 1ne3 s VAL 12 N -0.56 1.77 -0.37 3.70 0.11 -1.26 0.35 120.40 124.13 1ne3 s VAL 12 Ca 0.03 -0.95 -0.12 0.00 -2.93 0.00 0.00 61.98 58.01 1ne3 s VAL 12 Cb -0.06 -1.47 0.02 0.00 -1.53 0.00 0.00 36.38 33.34 1ne3 s VAL 12 CO 0.00 0.50 0.23 -0.76 -3.33 0.00 0.00 175.10 171.74 1ne3 s LEU 13 N -0.48 4.75 -0.07 2.54 2.01 -1.05 -4.84 118.68 121.53 1ne3 s LEU 13 Ca 0.07 -0.88 0.00 0.00 0.01 0.00 0.00 54.13 53.34 1ne3 s LEU 13 Cb -0.09 -2.07 0.02 0.00 0.01 0.00 0.00 46.19 44.06 1ne3 s LEU 13 CO -0.00 -0.37 -0.06 -0.75 1.01 0.00 0.00 176.35 176.17 1ne3 s LYS 14 N 1.61 1.17 -0.13 1.70 2.47 -1.26 -4.33 119.74 120.98 1ne3 s LYS 14 Ca 0.03 -0.17 0.01 0.00 -1.56 0.00 0.00 55.97 54.28 1ne3 s LYS 14 Cb -0.19 -1.21 0.02 0.00 -1.46 0.00 0.00 37.83 35.00 1ne3 s LYS 14 CO 0.08 -0.16 -0.13 1.03 0.16 0.00 0.00 175.35 176.33 1ne3 s ARG 15 N 1.31 2.12 0.00 4.03 0.52 -1.26 -4.94 118.95 120.73 1ne3 s ARG 15 Ca -0.04 -0.50 0.00 0.00 -0.52 0.00 0.00 55.73 54.67 1ne3 s ARG 15 Cb -0.14 -1.93 0.00 0.00 0.52 0.00 0.00 34.95 33.40 1ne3 s ARG 15 CO -0.03 -0.19 0.00 2.41 0.02 0.00 0.00 175.30 177.52 1ne3 n THR 16 N 4.62 0.00 -0.29 0.02 -1.04 -1.26 -4.78 114.28 111.54 1ne3 n THR 16 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1ne3 n THR 16 Cb 0.50 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 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 0.00 -1.59 0.00 3.41 0.00 -1.26 -5.08 105.19 100.67 1ne3 n GLY 17 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 1.25 0.00 -2.17 1.61 1.56 -1.26 -5.14 117.12 112.96 1ne3 n MET 18 Ca 0.00 0.00 -0.33 0.00 -0.27 0.00 0.00 57.70 57.10 1ne3 n MET 18 Cb 0.00 0.00 -0.01 0.00 2.15 0.00 0.00 33.22 35.36 1ne3 n MET 18 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 1ne3 s THR 19 N 0.00 4.05 0.00 1.12 -1.32 -1.26 -5.06 115.64 113.17 1ne3 s THR 19 Ca 0.00 0.98 0.00 0.00 -1.21 0.00 0.00 61.69 61.46 1ne3 s THR 19 Cb 0.00 -3.50 0.00 0.00 -1.51 0.00 0.00 72.50 67.49 1ne3 s THR 19 CO 0.00 -0.56 0.00 0.61 -2.21 0.00 0.00 174.62 172.46 1ne3 n GLY 20 N -1.16 0.30 7.00 6.08 0.00 -1.26 -4.99 105.19 111.15 1ne3 n GLY 20 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1ne3 n GLY 20 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ne3 n GLU 21 N 0.00 0.00 -3.53 1.61 4.71 -1.26 -4.74 120.64 117.44 1ne3 n GLU 21 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 56.81 1ne3 n GLU 21 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 30.38 1ne3 n GLU 21 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 1ne3 s VAL 22 N 0.00 5.04 0.02 2.62 -7.23 -1.26 -4.52 120.40 115.06 1ne3 s VAL 22 Ca 0.00 0.46 0.02 0.00 -1.81 0.00 0.00 61.98 60.65 1ne3 s VAL 22 Cb 0.00 -3.65 -0.04 0.00 0.56 0.00 0.00 36.38 33.25 1ne3 s VAL 22 CO 0.00 0.19 0.02 -0.32 -0.31 0.00 0.00 175.10 174.68 1ne3 s MET 23 N -2.17 2.81 -0.13 4.82 1.75 0.62 -4.83 119.30 122.16 1ne3 s MET 23 Ca 0.37 -0.62 -0.08 0.00 -1.25 0.00 0.00 55.69 54.10 1ne3 s MET 23 Cb -0.13 -2.69 -0.04 0.00 2.84 0.00 0.00 34.83 34.81 1ne3 s MET 23 CO 0.20 0.61 0.16 1.14 -0.65 0.00 0.00 175.02 176.48 1ne3 s GLN 24 N -1.74 3.65 0.10 4.11 -2.07 -1.26 0.23 119.66 122.69 1ne3 s GLN 24 Ca 0.21 -0.11 0.02 0.00 -1.82 0.00 0.00 55.36 53.66 1ne3 s GLN 24 Cb -0.12 -3.25 -0.04 0.00 -1.09 0.00 0.00 33.01 28.51 1ne3 s GLN 24 CO 0.13 0.66 -0.06 0.54 -1.32 0.00 0.00 175.29 175.23 1ne3 s VAL 25 N -0.70 0.68 -0.11 3.63 0.11 -1.09 -2.54 120.40 120.39 1ne3 s VAL 25 Ca 0.14 -1.94 -0.01 0.00 -2.93 0.00 0.00 61.98 57.24 1ne3 s VAL 25 Cb -0.12 -1.71 -0.03 0.00 -1.53 0.00 0.00 36.38 32.99 1ne3 s VAL 25 CO 0.03 -0.85 -0.06 -0.75 -3.33 0.00 0.00 175.10 170.14 1ne3 s LYS 26 N -3.84 3.17 -0.01 1.54 2.20 1.07 -3.13 119.74 120.74 1ne3 s LYS 26 Ca 0.13 -0.54 0.00 0.00 -0.36 0.00 0.00 55.97 55.20 1ne3 s LYS 26 Cb 0.05 -2.73 0.01 0.00 -1.51 0.00 0.00 37.83 33.66 1ne3 s LYS 26 CO -0.04 0.46 -0.01 0.00 -0.36 0.00 0.00 175.35 175.40 1ne3 s ARG 28 N 0.40 3.08 0.28 0.00 3.00 -1.25 -2.74 118.95 121.72 1ne3 s ARG 28 Ca -0.04 -0.40 -0.30 0.00 -1.00 0.00 0.00 55.73 54.00 1ne3 s ARG 28 Cb -0.06 -2.84 -0.13 0.00 0.00 0.00 0.00 34.95 31.92 1ne3 s ARG 28 CO -0.01 0.67 1.34 -0.89 0.00 0.00 0.00 175.30 176.41 1ne3 n ILE 29 N 2.26 1.40 0.26 4.11 5.41 0.37 -3.94 119.36 129.23 1ne3 n ILE 29 Ca -0.19 -0.35 0.08 0.00 1.00 0.00 0.00 62.75 63.29 1ne3 n ILE 29 Cb 0.54 -1.49 -0.11 0.00 -0.71 0.00 0.00 39.64 37.86 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 1.59 0.27 -3.52 1.39 4.77 -1.24 -3.35 117.00 116.91 1ne3 n LEU 30 Ca 0.09 -0.18 -0.12 0.00 -0.03 0.00 0.00 56.01 55.77 1ne3 n LEU 30 Cb 0.33 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.38 1ne3 n LEU 30 CO 0.62 0.07 0.60 1.51 -1.33 0.00 0.00 177.39 178.86 1ne3 s ASP 31 N -3.40 -0.48 0.00 -1.43 -4.77 -1.26 -4.94 116.67 100.39 1ne3 s ASP 31 Ca -0.02 0.31 0.00 0.00 -3.30 0.00 0.00 52.55 49.54 1ne3 s ASP 31 Cb 0.11 0.44 0.00 0.00 -1.09 0.00 0.00 42.92 42.38 1ne3 s ASP 31 CO 0.67 -0.60 0.00 0.61 0.70 0.00 0.00 175.17 176.56 1ne3 n GLY 32 N 0.33 2.52 0.24 2.12 0.00 -1.26 -4.60 105.19 104.54 1ne3 n GLY 32 Ca -0.13 -1.97 0.16 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.66 1.61 1.12 -2.02 -0.26 114.38 114.17 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 -2.79 3.80 -0.75 -3.80 8.00 -1.26 -5.02 116.55 114.72 1ne3 n ASP 34 Ca 0.00 -2.02 -0.10 0.00 0.71 0.00 0.00 54.79 53.39 1ne3 n ASP 34 Cb 0.22 -0.45 -0.01 0.00 -0.02 0.00 0.00 41.12 40.86 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 1.42 0.00 -0.07 -1.24 4.81 -0.11 0.41 118.16 123.38 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 0.60 -0.24 0.00 0.00 0.02 0.00 0.00 35.03 35.41 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 0.27 1.25 3.69 3.14 0.00 -1.21 -5.01 105.19 107.32 1ne3 n GLY 36 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.55 4.17 -0.12 1.61 3.52 0.17 -4.54 118.95 123.22 1ne3 s ARG 37 Ca 0.00 2.44 0.02 0.00 -0.13 0.00 0.00 55.73 58.06 1ne3 s ARG 37 Cb 0.00 -3.60 -0.01 0.00 -1.56 0.00 0.00 34.95 29.78 1ne3 s ARG 37 CO 0.00 -0.78 -0.19 0.42 -0.81 0.00 0.00 175.30 173.94 1ne3 s ILE 38 N 2.70 2.51 -0.02 4.11 1.09 -1.26 0.14 121.20 130.47 1ne3 s ILE 38 Ca 0.77 -0.86 -0.04 0.00 -1.10 0.00 0.00 60.65 59.42 1ne3 s ILE 38 Cb -0.42 -2.01 0.00 0.00 -1.06 0.00 0.00 42.46 38.97 1ne3 s ILE 38 CO 0.34 0.54 0.09 -1.48 -0.10 0.00 0.00 174.94 174.34 1ne3 s LEU 39 N 0.37 1.68 -0.11 2.97 2.34 -1.11 -5.03 118.68 119.80 1ne3 s LEU 39 Ca -0.15 -0.01 -0.06 0.00 0.06 0.00 0.00 54.13 53.98 1ne3 s LEU 39 Cb -0.17 0.40 -0.04 0.00 -0.56 0.00 0.00 46.19 45.83 1ne3 s LEU 39 CO 0.07 -0.17 0.11 -0.89 -1.06 0.00 0.00 176.35 174.42 1ne3 s THR 40 N -0.56 5.26 0.04 5.48 2.01 -1.26 -3.47 115.64 123.15 1ne3 s THR 40 Ca -0.06 0.09 -0.02 0.00 0.31 0.00 0.00 61.69 62.01 1ne3 s THR 40 Cb -0.04 -3.29 -0.03 0.00 0.01 0.00 0.00 72.50 69.15 1ne3 s THR 40 CO 0.00 0.60 0.01 -0.13 -0.69 0.00 0.00 174.62 174.42 1ne3 s ARG 41 N -1.06 0.57 -0.22 4.92 1.81 -1.18 -5.03 118.95 118.76 1ne3 s ARG 41 Ca 0.15 -0.99 -0.24 0.00 -1.72 0.00 0.00 55.73 52.94 1ne3 s ARG 41 Cb -0.12 0.21 -0.01 0.00 -0.45 0.00 0.00 34.95 34.58 1ne3 s ARG 41 CO 0.05 -0.12 0.80 0.54 -0.68 0.00 0.00 175.30 175.88 1ne3 s ASN 42 N -2.47 6.84 -0.07 0.23 4.22 -1.26 -2.65 114.94 119.76 1ne3 s ASN 42 Ca -0.00 1.04 0.04 0.00 -2.14 0.00 0.00 52.86 51.79 1ne3 s ASN 42 Cb 0.02 -2.43 0.00 0.00 1.28 0.00 0.00 41.25 40.13 1ne3 s ASN 42 CO -0.07 -0.44 -0.19 -0.69 -2.04 0.00 0.00 177.10 173.66 1ne3 s VAL 43 N 2.51 1.64 -0.26 3.54 1.01 0.64 -4.92 120.40 124.55 1ne3 s VAL 43 Ca 0.35 -0.79 -0.18 0.00 0.00 0.00 0.00 61.98 61.36 1ne3 s VAL 43 Cb -0.16 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1ne3 s VAL 43 CO 0.09 0.47 0.52 -0.32 0.00 0.00 0.00 175.10 175.86 1ne3 s MET 44 N 0.36 4.06 0.00 2.72 1.75 -1.26 0.23 119.30 127.16 1ne3 s MET 44 Ca -0.14 0.33 0.00 0.00 -1.25 0.00 0.00 55.69 54.63 1ne3 s MET 44 Cb -0.16 -3.65 0.00 0.00 2.84 0.00 0.00 34.83 33.86 1ne3 s MET 44 CO 0.06 -0.36 0.00 0.41 -0.65 0.00 0.00 175.02 174.48 1ne3 n GLY 45 N 4.39 2.78 3.56 2.11 0.00 -1.26 -4.91 105.19 111.85 1ne3 n GLY 45 Ca -0.04 -2.07 -0.35 0.00 0.00 0.00 0.00 46.02 43.56 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 -2.19 3.05 -0.11 1.61 0.04 -1.26 -4.64 135.00 131.51 1ne3 s PRO 46 Ca 0.00 -0.57 0.01 0.00 0.04 0.00 0.00 61.00 60.48 1ne3 s PRO 46 Cb 0.00 -5.06 0.02 0.00 0.04 0.00 0.00 34.50 29.49 1ne3 s PRO 46 CO 0.00 -2.73 -0.14 -1.50 0.04 0.00 0.00 177.00 172.68 1ne3 s ILE 47 N 7.47 1.41 0.24 0.56 2.07 -1.26 -5.13 121.20 126.55 1ne3 s ILE 47 Ca 0.57 -0.57 0.05 0.00 -1.41 0.00 0.00 60.65 59.28 1ne3 s ILE 47 Cb -0.04 -1.31 -0.05 0.00 0.13 0.00 0.00 42.46 41.18 1ne3 s ILE 47 CO -0.02 0.43 -0.05 0.00 -1.91 0.00 0.00 174.94 173.39 1ne3 s ARG 48 N 1.15 1.38 0.06 3.50 3.03 -1.26 -4.88 118.95 121.92 1ne3 s ARG 48 Ca -0.04 -1.68 -0.26 0.00 2.03 0.00 0.00 55.73 55.78 1ne3 s ARG 48 Cb -0.14 -0.86 -0.14 0.00 -1.03 0.00 0.00 34.95 32.78 1ne3 s ARG 48 CO -0.04 -0.00 0.63 -0.85 -1.13 0.00 0.00 175.30 173.91 1ne3 n GLU 49 N -0.45 0.00 0.00 3.89 0.28 -1.26 -2.42 120.64 120.68 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 -0.96 0.00 0.00 1.43 0.00 0.00 31.44 32.54 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 1.23 2.22 3.79 -1.84 0.00 0.52 -4.91 105.19 106.20 1ne3 n GLY 50 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.66 3.91 -0.05 1.61 -1.08 -1.01 -4.54 116.67 113.85 1ne3 s ASP 51 Ca 0.00 1.11 -0.03 0.00 -0.52 0.00 0.00 52.55 53.10 1ne3 s ASP 51 Cb 0.00 -1.75 -0.04 0.00 -1.46 0.00 0.00 42.92 39.67 1ne3 s ASP 51 CO 0.00 -2.31 0.12 -0.63 0.52 0.00 0.00 175.17 172.87 1ne3 s ILE 52 N -3.23 5.12 0.11 4.11 1.01 -1.26 0.20 121.20 127.26 1ne3 s ILE 52 Ca 0.63 -0.12 -0.00 0.00 0.00 0.00 0.00 60.65 61.15 1ne3 s ILE 52 Cb -0.15 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 1ne3 s ILE 52 CO 0.54 0.46 -0.00 -0.76 0.00 0.00 0.00 174.94 175.18 1ne3 s LEU 53 N -1.46 2.18 -0.16 2.97 2.01 0.21 -4.88 118.68 119.55 1ne3 s LEU 53 Ca 0.20 -1.10 -0.01 0.00 0.01 0.00 0.00 54.13 53.23 1ne3 s LEU 53 Cb -0.12 0.15 -0.01 0.00 0.01 0.00 0.00 46.19 46.22 1ne3 s LEU 53 CO 0.11 -0.62 -0.12 -0.04 1.01 0.00 0.00 176.35 176.69 1ne3 s MET 54 N -3.95 3.33 -0.41 1.70 -1.94 -1.26 -2.62 119.30 114.15 1ne3 s MET 54 Ca 0.16 -0.69 -0.14 0.00 -1.71 0.00 0.00 55.69 53.32 1ne3 s MET 54 Cb 0.07 -2.72 0.03 0.00 2.01 0.00 0.00 34.83 34.21 1ne3 s MET 54 CO -0.03 0.05 0.29 -0.51 -0.01 0.00 0.00 175.02 174.81 1ne3 s LEU 55 N 0.77 5.08 -0.08 -0.03 2.01 -1.15 -4.88 118.68 120.39 1ne3 s LEU 55 Ca -0.05 -0.96 -0.02 0.00 0.01 0.00 0.00 54.13 53.11 1ne3 s LEU 55 Cb -0.15 -2.13 -0.04 0.00 0.01 0.00 0.00 46.19 43.88 1ne3 s LEU 55 CO 0.01 -0.45 0.04 -0.22 1.01 0.00 0.00 176.35 176.74 1ne3 s LEU 56 N 1.65 3.78 -0.09 1.79 2.96 -1.26 -2.46 118.68 125.04 1ne3 s LEU 56 Ca 0.04 0.20 -0.36 0.00 -0.22 0.00 0.00 54.13 53.80 1ne3 s LEU 56 Cb -0.19 -1.94 -0.13 0.00 0.50 0.00 0.00 46.19 44.42 1ne3 s LEU 56 CO 0.09 0.36 1.79 -0.67 -1.32 0.00 0.00 176.35 176.61 1ne3 n ASP 57 N 1.93 3.09 -4.51 3.68 -0.08 -1.26 -4.92 116.55 114.48 1ne3 n ASP 57 Ca -0.18 1.01 -0.41 0.00 -1.51 0.00 0.00 54.79 53.70 1ne3 n ASP 57 Cb 0.54 -1.32 -0.10 0.00 2.34 0.00 0.00 41.12 42.58 1ne3 n ASP 57 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1ne3 s THR 58 N 3.42 5.22 0.35 5.18 -1.32 -1.26 -5.06 115.64 122.17 1ne3 s THR 58 Ca 0.92 -0.26 -0.27 0.00 -1.21 0.00 0.00 61.69 60.87 1ne3 s THR 58 Cb -0.79 -3.84 -0.09 0.00 -1.51 0.00 0.00 72.50 66.27 1ne3 s THR 58 CO 0.53 -0.16 1.13 -0.63 -2.21 0.00 0.00 174.62 173.28 1ne3 s ILE 59 N 1.85 3.37 0.10 5.08 1.01 -1.26 -5.01 121.20 126.34 1ne3 s ILE 59 Ca 0.08 1.23 -0.22 0.00 0.00 0.00 0.00 60.65 61.74 1ne3 s ILE 59 Cb -0.17 -3.72 -0.07 0.00 0.01 0.00 0.00 42.46 38.50 1ne3 s ILE 59 CO 0.11 0.18 0.67 0.00 0.00 0.00 0.00 174.94 175.91 1ne3 s ARG 60 N -1.98 4.39 0.25 2.79 1.04 -1.26 -5.04 118.95 119.13 1ne3 s ARG 60 Ca 0.52 0.94 -0.30 0.00 -1.04 0.00 0.00 55.73 55.85 1ne3 s ARG 60 Cb -0.30 -3.27 -0.09 0.00 -2.04 0.00 0.00 34.95 29.25 1ne3 s ARG 60 CO 0.38 0.55 0.99 -2.00 -0.04 0.00 0.00 175.30 175.17 1ne3 s GLU 61 N -0.91 4.79 -0.17 3.89 2.12 -1.26 -5.02 118.70 122.14 1ne3 s GLU 61 Ca 0.33 1.58 -0.20 0.00 0.36 0.00 0.00 54.97 57.04 1ne3 s GLU 61 Cb -0.21 -3.25 -0.03 0.00 0.26 0.00 0.00 34.13 30.89 1ne3 s GLU 61 CO 0.22 0.43 0.57 0.00 -0.54 0.00 0.00 175.26 175.93 1ne3 s ALA 62 N -1.16 3.50 -0.10 6.30 0.00 -1.26 -5.04 121.76 124.00 1ne3 s ALA 62 Ca 0.42 -0.25 -0.21 0.00 0.00 0.00 0.00 51.96 51.92 1ne3 s ALA 62 Cb -0.28 -2.84 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 1ne3 s ALA 62 CO 0.35 -0.34 0.59 0.21 0.00 0.00 0.00 175.76 176.57 1ne3 s LYS 63 N 1.40 4.37 -0.30 0.00 2.47 -1.26 -5.04 119.74 121.38 1ne3 s LYS 63 Ca 0.27 0.65 -0.10 0.00 -1.56 0.00 0.00 55.97 55.24 1ne3 s LYS 63 Cb -0.16 -3.46 -0.02 0.00 -1.46 0.00 0.00 37.83 32.74 1ne3 s LYS 63 CO 0.11 0.07 0.16 -2.00 0.16 0.00 0.00 175.35 173.85 1ne3 s GLU 64 N 0.84 3.53 0.03 4.03 2.56 -1.26 -5.07 118.70 123.36 1ne3 s GLU 64 Ca 0.31 -0.59 -0.26 0.00 0.00 0.00 0.00 54.97 54.44 1ne3 s GLU 64 Cb -0.16 -3.57 -0.05 0.00 2.00 0.00 0.00 34.13 32.35 1ne3 s GLU 64 CO 0.14 -0.33 0.79 0.96 -0.56 0.00 0.00 175.26 176.25 1ne3 s ILE 65 N 1.66 4.78 -0.19 -3.70 -4.36 -1.26 -5.03 121.20 113.11 1ne3 s ILE 65 Ca 0.06 1.67 -0.23 0.00 -0.26 0.00 0.00 60.65 61.89 1ne3 s ILE 65 Cb -0.17 -4.14 -0.02 0.00 1.25 0.00 0.00 42.46 39.39 1ne3 s ILE 65 CO 0.07 0.32 0.73 -0.60 0.24 0.00 0.00 174.94 175.71 1ne3 s ARG 66 N 0.20 4.25 0.06 0.37 3.00 -1.26 -5.05 118.95 120.51 1ne3 s ARG 66 Ca 0.40 0.82 0.05 0.00 -1.00 0.00 0.00 55.73 56.00 1ne3 s ARG 66 Cb -0.20 -3.58 -0.04 0.00 0.00 0.00 0.00 34.95 31.13 1ne3 s ARG 66 CO 0.23 -0.30 -0.05 0.95 0.00 0.00 0.00 175.30 176.13 1ne3 s THR 67 N 2.07 3.70 -2.00 4.11 -4.23 -1.26 -5.36 115.64 112.67 1ne3 s THR 67 Ca 0.33 -0.97 0.24 0.00 -1.18 0.00 0.00 61.69 60.11 1ne3 s THR 67 Cb -0.16 -2.69 0.68 0.00 1.34 0.00 0.00 72.50 71.67 1ne3 s THR 67 CO 0.11 0.23 1.80 -0.81 -0.54 0.00 0.00 174.62 175.41