#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 1.20 0.16 7.83 8.00 -1.26 -4.64 116.55 127.85 1ne3 n ASP 2 Ca 0.00 -0.02 -0.06 0.00 0.71 0.00 0.00 54.79 55.42 1ne3 n ASP 2 Cb 0.00 0.69 -0.03 0.00 -0.02 0.00 0.00 41.12 41.76 1ne3 n ASP 2 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1ne3 h ASP 3 N 0.00 -0.35 -2.90 -2.24 3.32 -2.05 -3.43 116.42 108.76 1ne3 h ASP 3 Ca -0.45 0.01 -0.62 0.00 0.02 0.00 0.00 57.03 55.99 1ne3 h ASP 3 Cb 1.96 0.09 -0.05 0.00 0.22 0.00 0.00 39.33 41.55 1ne3 h ASP 3 CO 0.01 -0.23 -0.39 0.00 -1.72 0.00 0.00 179.24 176.91 1ne3 s ALA 4 N -3.87 3.85 -0.07 3.45 0.00 -1.26 -4.53 121.76 119.33 1ne3 s ALA 4 Ca -0.06 -0.58 -0.04 0.00 0.00 0.00 0.00 51.96 51.27 1ne3 s ALA 4 Cb 0.01 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.03 1ne3 s ALA 4 CO 0.18 0.65 0.12 -0.08 0.00 0.00 0.00 175.76 176.63 1ne3 s THR 5 N -1.30 5.22 -0.43 0.00 -1.32 -1.12 -4.80 115.64 111.88 1ne3 s THR 5 Ca 0.28 -0.02 -0.29 0.00 -1.21 0.00 0.00 61.69 60.45 1ne3 s THR 5 Cb -0.13 -3.32 0.01 0.00 -1.51 0.00 0.00 72.50 67.55 1ne3 s THR 5 CO 0.16 0.51 1.42 -2.16 -2.21 0.00 0.00 174.62 172.35 1ne3 s PRO 6 N -1.32 3.52 0.16 7.08 0.04 -1.26 -3.22 135.00 140.00 1ne3 s PRO 6 Ca 0.19 0.88 0.06 0.00 0.04 0.00 0.00 61.00 62.17 1ne3 s PRO 6 Cb -0.12 -4.04 -0.04 0.00 0.04 0.00 0.00 34.50 30.33 1ne3 s PRO 6 CO 0.09 -1.63 -0.13 0.00 0.04 0.00 0.00 177.00 175.36 1ne3 s ALA 7 N 5.58 1.66 -0.09 8.56 0.00 -1.13 -3.89 121.76 132.46 1ne3 s ALA 7 Ca 0.61 -1.47 0.04 0.00 0.00 0.00 0.00 51.96 51.13 1ne3 s ALA 7 Cb -0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 1ne3 s ALA 7 CO 0.32 0.04 -0.20 -1.21 0.00 0.00 0.00 175.76 174.70 1ne3 s GLU 8 N -3.30 2.89 0.28 0.00 2.02 -1.25 -0.82 118.70 118.52 1ne3 s GLU 8 Ca 0.16 -0.81 -0.29 0.00 0.02 0.00 0.00 54.97 54.05 1ne3 s GLU 8 Cb -0.01 -2.35 -0.14 0.00 0.10 0.00 0.00 34.13 31.72 1ne3 s GLU 8 CO 0.04 0.32 1.07 0.28 0.02 0.00 0.00 175.26 176.99 1ne3 n VAL 9 N 3.16 1.83 -0.03 2.63 0.31 0.26 -3.63 118.33 122.87 1ne3 n VAL 9 Ca -0.18 -0.46 -0.04 0.00 -0.01 0.00 0.00 64.34 63.65 1ne3 n VAL 9 Cb 0.52 -1.06 -0.02 0.00 -0.91 0.00 0.00 33.84 32.37 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 0.45 0.30 -4.20 2.52 -6.64 0.36 0.43 119.36 112.57 1ne3 n ILE 10 Ca 0.10 -0.11 -0.19 0.00 -1.77 0.00 0.00 62.75 60.78 1ne3 n ILE 10 Cb 0.32 -0.75 -0.12 0.00 -1.44 0.00 0.00 39.64 37.65 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 -2.10 0.85 -0.12 6.28 2.12 -0.19 -4.72 118.70 120.82 1ne3 s GLU 11 Ca -0.07 -0.95 0.03 0.00 0.36 0.00 0.00 54.97 54.34 1ne3 s GLU 11 Cb 0.02 -0.88 0.01 0.00 0.26 0.00 0.00 34.13 33.54 1ne3 s GLU 11 CO 0.12 0.20 -0.19 0.08 -0.54 0.00 0.00 175.26 174.92 1ne3 s VAL 12 N -1.22 1.80 -0.40 3.70 1.01 -1.26 0.31 120.40 124.34 1ne3 s VAL 12 Ca -0.01 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 1ne3 s VAL 12 Cb -0.10 -1.60 0.07 0.00 0.00 0.00 0.00 36.38 34.75 1ne3 s VAL 12 CO 0.02 0.50 0.21 -0.76 0.00 0.00 0.00 175.10 175.07 1ne3 s LEU 13 N 0.76 4.93 0.06 3.92 1.43 -0.83 -4.89 118.68 124.07 1ne3 s LEU 13 Ca -0.10 -1.45 0.02 0.00 -1.03 0.00 0.00 54.13 51.58 1ne3 s LEU 13 Cb -0.16 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 1ne3 s LEU 13 CO 0.01 -0.48 -0.08 -1.59 0.23 0.00 0.00 176.35 174.44 1ne3 s LYS 14 N 1.39 0.65 -0.13 1.70 -2.85 -1.26 -2.93 119.74 116.32 1ne3 s LYS 14 Ca 0.02 -0.96 -0.01 0.00 -1.00 0.00 0.00 55.97 54.02 1ne3 s LYS 14 Cb -0.22 -0.31 0.04 0.00 -2.06 0.00 0.00 37.83 35.27 1ne3 s LYS 14 CO 0.02 0.04 -0.02 1.03 0.10 0.00 0.00 175.35 176.52 1ne3 s ARG 15 N -2.32 1.00 -0.22 1.78 1.81 -1.26 -5.09 118.95 114.64 1ne3 s ARG 15 Ca -0.02 -0.22 -0.28 0.00 -1.72 0.00 0.00 55.73 53.48 1ne3 s ARG 15 Cb -0.05 -1.57 -0.04 0.00 -0.45 0.00 0.00 34.95 32.84 1ne3 s ARG 15 CO -0.01 -0.39 1.98 0.95 -0.68 0.00 0.00 175.30 177.15 1ne3 s THR 16 N 1.82 3.24 0.00 0.02 -4.23 -1.26 -4.68 115.64 110.55 1ne3 s THR 16 Ca 0.03 0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.80 1ne3 s THR 16 Cb -0.14 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.40 1ne3 s THR 16 CO -0.07 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 1ne3 n GLY 17 N 5.38 -1.49 3.00 3.99 0.00 -1.26 -5.02 105.19 109.79 1ne3 n GLY 17 Ca 0.25 -1.39 -0.05 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.53 -1.00 1.61 0.00 -1.26 -4.76 117.12 110.18 1ne3 n MET 18 Ca 0.00 1.19 0.00 0.00 0.00 0.00 0.00 57.70 58.89 1ne3 n MET 18 Cb 0.00 -5.44 0.00 0.00 0.00 0.00 0.00 33.22 27.78 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 -2.22 -3.56 0.00 1.12 -1.04 -1.26 -4.98 114.28 102.34 1ne3 n THR 19 Ca -0.02 1.43 0.00 0.00 -2.04 0.00 0.00 64.05 63.41 1ne3 n THR 19 Cb 0.54 -2.31 0.00 0.00 -1.82 0.00 0.00 70.33 66.74 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 0.01 -1.63 1.99 3.41 0.00 -1.26 -4.99 105.19 102.72 1ne3 n GLY 20 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.14 -3.35 1.61 4.71 -1.26 -4.79 120.64 115.41 1ne3 n GLU 21 Ca 0.00 1.41 -0.35 0.00 -0.01 0.00 0.00 57.16 58.21 1ne3 n GLU 21 Cb 0.00 -2.61 -0.06 0.00 -1.01 0.00 0.00 31.44 27.76 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 -1.76 4.85 0.42 2.62 -7.23 -1.26 -4.99 120.40 113.05 1ne3 s VAL 22 Ca 0.00 0.85 -0.07 0.00 -1.81 0.00 0.00 61.98 60.95 1ne3 s VAL 22 Cb 0.00 -3.74 -0.05 0.00 0.56 0.00 0.00 36.38 33.15 1ne3 s VAL 22 CO 0.00 0.26 0.73 0.00 -0.31 0.00 0.00 175.10 175.78 1ne3 s MET 23 N -1.92 3.63 0.13 4.82 0.23 -0.94 -4.69 119.30 120.56 1ne3 s MET 23 Ca 0.37 0.23 0.04 0.00 -1.03 0.00 0.00 55.69 55.30 1ne3 s MET 23 Cb -0.15 -2.44 -0.04 0.00 -1.53 0.00 0.00 34.83 30.67 1ne3 s MET 23 CO 0.19 -0.07 0.12 1.14 -2.03 0.00 0.00 175.02 174.38 1ne3 s GLN 24 N -4.26 2.93 0.06 3.16 -2.07 -1.15 0.69 119.66 119.02 1ne3 s GLN 24 Ca 0.48 -0.79 0.04 0.00 -1.82 0.00 0.00 55.36 53.27 1ne3 s GLN 24 Cb -0.10 -2.70 -0.03 0.00 -1.09 0.00 0.00 33.01 29.09 1ne3 s GLN 24 CO 0.38 0.52 -0.12 0.54 -1.32 0.00 0.00 175.29 175.29 1ne3 s VAL 25 N -1.62 0.92 -0.16 3.63 0.11 -0.82 -1.97 120.40 120.50 1ne3 s VAL 25 Ca 0.31 -1.24 -0.06 0.00 -2.93 0.00 0.00 61.98 58.06 1ne3 s VAL 25 Cb -0.11 -0.93 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 1ne3 s VAL 25 CO 0.23 -0.29 0.03 -0.75 -3.33 0.00 0.00 175.10 171.00 1ne3 s LYS 26 N -1.72 3.77 -0.00 1.54 2.20 0.93 -2.90 119.74 123.55 1ne3 s LYS 26 Ca -0.04 -0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.18 1ne3 s LYS 26 Cb -0.10 -3.08 -0.00 0.00 -1.51 0.00 0.00 37.83 33.14 1ne3 s LYS 26 CO 0.02 0.33 -0.01 0.00 -0.36 0.00 0.00 175.35 175.33 1ne3 s ARG 28 N -0.03 2.88 0.28 0.00 3.52 -1.24 -2.75 118.95 121.61 1ne3 s ARG 28 Ca 0.01 -0.47 -0.30 0.00 -0.13 0.00 0.00 55.73 54.83 1ne3 s ARG 28 Cb -0.01 -2.71 -0.13 0.00 -1.56 0.00 0.00 34.95 30.54 1ne3 s ARG 28 CO -0.00 0.68 1.37 -0.89 -0.81 0.00 0.00 175.30 175.65 1ne3 n ILE 29 N 2.09 1.36 0.42 4.11 5.41 0.24 -3.89 119.36 129.11 1ne3 n ILE 29 Ca -0.18 -0.34 0.08 0.00 1.00 0.00 0.00 62.75 63.31 1ne3 n ILE 29 Cb 0.53 -1.53 -0.10 0.00 -0.71 0.00 0.00 39.64 37.83 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 0.42 -3.56 1.39 4.77 -1.25 -3.46 117.00 116.94 1ne3 n LEU 30 Ca 0.09 -0.29 -0.14 0.00 -0.03 0.00 0.00 56.01 55.64 1ne3 n LEU 30 Cb 0.33 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.37 1ne3 n LEU 30 CO 0.62 0.11 0.61 1.51 -1.33 0.00 0.00 177.39 178.91 1ne3 s ASP 31 N -3.08 -0.52 0.00 -1.43 1.47 -1.26 -4.99 116.67 106.86 1ne3 s ASP 31 Ca 0.01 0.62 0.00 0.00 1.18 0.00 0.00 52.55 54.36 1ne3 s ASP 31 Cb 0.11 0.50 0.00 0.00 -0.34 0.00 0.00 42.92 43.19 1ne3 s ASP 31 CO 0.66 -0.45 0.00 0.61 0.68 0.00 0.00 175.17 176.67 1ne3 n GLY 32 N 0.99 3.51 0.27 2.12 0.00 -1.26 -4.65 105.19 106.16 1ne3 n GLY 32 Ca -0.14 -1.81 0.18 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.47 1.61 1.12 -2.02 0.39 114.38 115.01 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 -2.80 3.15 -0.72 -3.80 9.92 -1.26 -5.00 116.55 116.04 1ne3 n ASP 34 Ca -0.02 -1.96 -0.09 0.00 -0.53 0.00 0.00 54.79 52.20 1ne3 n ASP 34 Cb 0.11 -0.31 -0.01 0.00 -0.64 0.00 0.00 41.12 40.28 1ne3 n ASP 34 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1ne3 n LYS 35 N 1.25 0.00 -0.04 -1.24 4.81 0.14 0.41 118.16 123.48 1ne3 n LYS 35 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 1ne3 n LYS 35 Cb 0.53 -0.22 0.00 0.00 0.02 0.00 0.00 35.03 35.36 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 0.26 1.30 3.68 3.14 0.00 -1.22 -4.99 105.19 107.35 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 -0.09 1.61 3.52 0.17 -4.54 118.95 123.24 1ne3 s ARG 37 Ca 0.00 2.44 0.03 0.00 -0.13 0.00 0.00 55.73 58.07 1ne3 s ARG 37 Cb 0.00 -3.69 -0.01 0.00 -1.56 0.00 0.00 34.95 29.69 1ne3 s ARG 37 CO 0.00 -0.80 -0.20 0.42 -0.81 0.00 0.00 175.30 173.91 1ne3 s ILE 38 N 2.98 2.46 -0.02 4.11 1.09 -1.26 0.81 121.20 131.37 1ne3 s ILE 38 Ca 0.78 -0.89 -0.03 0.00 -1.10 0.00 0.00 60.65 59.40 1ne3 s ILE 38 Cb -0.42 -1.97 0.00 0.00 -1.06 0.00 0.00 42.46 39.02 1ne3 s ILE 38 CO 0.34 0.55 0.08 -1.48 -0.10 0.00 0.00 174.94 174.34 1ne3 s LEU 39 N 0.13 1.71 -0.13 2.97 2.34 -1.11 -5.03 118.68 119.57 1ne3 s LEU 39 Ca -0.10 0.06 -0.07 0.00 0.06 0.00 0.00 54.13 54.08 1ne3 s LEU 39 Cb -0.16 0.33 -0.04 0.00 -0.56 0.00 0.00 46.19 45.76 1ne3 s LEU 39 CO 0.06 -0.10 0.14 0.42 -1.06 0.00 0.00 176.35 175.80 1ne3 s THR 40 N -0.28 5.47 0.04 5.48 -4.23 -1.26 -3.58 115.64 117.27 1ne3 s THR 40 Ca -0.03 0.20 0.03 0.00 -1.18 0.00 0.00 61.69 60.70 1ne3 s THR 40 Cb -0.02 -3.39 -0.02 0.00 1.34 0.00 0.00 72.50 70.40 1ne3 s THR 40 CO 0.00 0.61 -0.09 0.00 -0.54 0.00 0.00 174.62 174.60 1ne3 s ARG 41 N -0.92 0.60 -0.24 3.99 1.04 -1.14 -4.98 118.95 117.29 1ne3 s ARG 41 Ca 0.14 -0.74 -0.22 0.00 -1.04 0.00 0.00 55.73 53.87 1ne3 s ARG 41 Cb -0.12 -0.45 -0.01 0.00 -2.04 0.00 0.00 34.95 32.33 1ne3 s ARG 41 CO 0.04 0.09 0.72 0.54 -0.04 0.00 0.00 175.30 176.65 1ne3 s ASN 42 N -1.44 6.70 -0.02 -2.89 4.22 -1.26 -1.94 114.94 118.32 1ne3 s ASN 42 Ca -0.07 0.87 0.01 0.00 -2.14 0.00 0.00 52.86 51.53 1ne3 s ASN 42 Cb -0.09 -2.38 0.02 0.00 1.28 0.00 0.00 41.25 40.07 1ne3 s ASN 42 CO 0.01 -0.43 -0.01 0.54 -2.04 0.00 0.00 177.10 175.18 1ne3 s VAL 43 N 2.60 0.16 -0.19 3.54 0.11 0.22 -4.96 120.40 121.88 1ne3 s VAL 43 Ca 0.30 0.03 -0.16 0.00 -2.93 0.00 0.00 61.98 59.23 1ne3 s VAL 43 Cb -0.15 -0.22 -0.04 0.00 -1.53 0.00 0.00 36.38 34.43 1ne3 s VAL 43 CO 0.08 0.11 0.38 -0.32 -3.33 0.00 0.00 175.10 172.02 1ne3 s MET 44 N 0.65 4.21 0.00 1.54 1.75 -1.26 -2.20 119.30 123.99 1ne3 s MET 44 Ca -0.06 0.20 0.00 0.00 -1.25 0.00 0.00 55.69 54.57 1ne3 s MET 44 Cb -0.09 -3.50 0.00 0.00 2.84 0.00 0.00 34.83 34.07 1ne3 s MET 44 CO -0.01 0.04 0.00 0.41 -0.65 0.00 0.00 175.02 174.81 1ne3 n GLY 45 N 3.76 3.06 3.56 2.11 0.00 -1.26 -4.98 105.19 111.43 1ne3 n GLY 45 Ca -0.09 -1.89 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 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 -2.14 3.09 -0.12 1.61 0.04 -1.26 -4.88 135.00 131.34 1ne3 s PRO 46 Ca 0.00 -0.73 0.01 0.00 0.04 0.00 0.00 61.00 60.32 1ne3 s PRO 46 Cb 0.00 -5.22 0.02 0.00 0.04 0.00 0.00 34.50 29.34 1ne3 s PRO 46 CO 0.00 -2.78 -0.14 -1.50 0.04 0.00 0.00 177.00 172.61 1ne3 s ILE 47 N 7.46 1.47 0.25 0.56 2.07 -1.26 -5.13 121.20 126.63 1ne3 s ILE 47 Ca 0.58 -0.61 0.05 0.00 -1.41 0.00 0.00 60.65 59.26 1ne3 s ILE 47 Cb -0.03 -1.36 -0.05 0.00 0.13 0.00 0.00 42.46 41.15 1ne3 s ILE 47 CO -0.05 0.44 -0.04 0.00 -1.91 0.00 0.00 174.94 173.38 1ne3 s ARG 48 N 1.13 1.43 0.13 3.50 3.03 -1.26 -4.95 118.95 121.97 1ne3 s ARG 48 Ca -0.04 -1.72 -0.30 0.00 2.03 0.00 0.00 55.73 55.71 1ne3 s ARG 48 Cb -0.14 -0.90 -0.17 0.00 -1.03 0.00 0.00 34.95 32.71 1ne3 s ARG 48 CO -0.04 -0.02 0.65 -0.85 -1.13 0.00 0.00 175.30 173.91 1ne3 n GLU 49 N -0.49 0.00 0.00 3.89 0.28 -1.26 -2.49 120.64 120.57 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 -1.08 0.00 0.00 1.43 0.00 0.00 31.44 32.42 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 1.75 1.25 3.73 -1.84 0.00 0.17 -4.89 105.19 105.37 1ne3 n GLY 50 Ca 0.18 0.00 -0.32 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 -0.89 4.17 -0.00 1.61 -1.08 -1.04 -4.40 116.67 115.03 1ne3 s ASP 51 Ca 0.00 2.10 -0.15 0.00 -0.52 0.00 0.00 52.55 53.98 1ne3 s ASP 51 Cb 0.00 -2.56 -0.06 0.00 -1.46 0.00 0.00 42.92 38.85 1ne3 s ASP 51 CO 0.00 -2.27 0.40 -0.63 0.52 0.00 0.00 175.17 173.20 1ne3 s ILE 52 N -2.47 5.04 0.14 4.11 1.09 -1.26 0.92 121.20 128.77 1ne3 s ILE 52 Ca 0.67 0.83 0.02 0.00 -1.10 0.00 0.00 60.65 61.07 1ne3 s ILE 52 Cb -0.22 -3.71 -0.04 0.00 -1.06 0.00 0.00 42.46 37.42 1ne3 s ILE 52 CO 0.50 0.58 -0.03 -0.76 -0.10 0.00 0.00 174.94 175.13 1ne3 s LEU 53 N -1.06 2.29 -0.19 2.97 2.01 -0.00 -4.92 118.68 119.77 1ne3 s LEU 53 Ca 0.24 -1.10 -0.03 0.00 0.01 0.00 0.00 54.13 53.25 1ne3 s LEU 53 Cb -0.17 -0.08 -0.01 0.00 0.01 0.00 0.00 46.19 45.94 1ne3 s LEU 53 CO 0.13 -0.51 -0.06 -0.04 1.01 0.00 0.00 176.35 176.87 1ne3 s MET 54 N -3.87 3.43 -0.43 1.70 -1.94 -1.26 -2.83 119.30 114.10 1ne3 s MET 54 Ca 0.19 -0.62 -0.15 0.00 -1.71 0.00 0.00 55.69 53.40 1ne3 s MET 54 Cb 0.05 -2.89 0.04 0.00 2.01 0.00 0.00 34.83 34.04 1ne3 s MET 54 CO 0.00 -0.02 0.32 -0.51 -0.01 0.00 0.00 175.02 174.81 1ne3 s LEU 55 N 0.99 5.24 -0.07 -0.03 2.01 -1.20 -4.87 118.68 120.76 1ne3 s LEU 55 Ca -0.00 -1.08 -0.02 0.00 0.01 0.00 0.00 54.13 53.05 1ne3 s LEU 55 Cb -0.15 -2.15 -0.03 0.00 0.01 0.00 0.00 46.19 43.87 1ne3 s LEU 55 CO 0.00 -0.51 0.03 -0.22 1.01 0.00 0.00 176.35 176.65 1ne3 s LEU 56 N 1.64 3.70 -0.15 1.79 1.98 -1.26 -2.79 118.68 123.59 1ne3 s LEU 56 Ca 0.04 0.16 -0.36 0.00 -2.89 0.00 0.00 54.13 51.08 1ne3 s LEU 56 Cb -0.21 -1.93 -0.13 0.00 0.66 0.00 0.00 46.19 44.58 1ne3 s LEU 56 CO 0.08 0.36 1.81 -0.67 -1.89 0.00 0.00 176.35 176.04 1ne3 n ASP 57 N 1.91 3.02 -4.45 3.68 2.03 -1.26 -4.91 116.55 116.57 1ne3 n ASP 57 Ca -0.18 1.02 -0.43 0.00 0.52 0.00 0.00 54.79 55.72 1ne3 n ASP 57 Cb 0.54 -1.29 -0.10 0.00 -0.72 0.00 0.00 41.12 39.55 1ne3 n ASP 57 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1ne3 s THR 58 N 3.73 5.22 0.40 5.18 -1.32 -1.26 -5.06 115.64 122.52 1ne3 s THR 58 Ca 0.94 -0.68 -0.24 0.00 -1.21 0.00 0.00 61.69 60.51 1ne3 s THR 58 Cb -0.83 -3.91 -0.09 0.00 -1.51 0.00 0.00 72.50 66.15 1ne3 s THR 58 CO 0.56 -0.31 1.01 -0.51 -2.21 0.00 0.00 174.62 173.16 1ne3 s ILE 59 N 1.67 3.93 0.24 5.08 1.10 -1.26 -5.00 121.20 126.96 1ne3 s ILE 59 Ca 0.05 1.43 -0.30 0.00 -0.51 0.00 0.00 60.65 61.32 1ne3 s ILE 59 Cb -0.19 -3.71 -0.09 0.00 0.15 0.00 0.00 42.46 38.61 1ne3 s ILE 59 CO 0.10 -0.04 1.25 0.00 -2.11 0.00 0.00 174.94 174.14 1ne3 s ARG 60 N -2.58 4.44 0.07 3.50 3.03 -1.26 -5.02 118.95 121.12 1ne3 s ARG 60 Ca 0.58 2.01 0.00 0.00 2.03 0.00 0.00 55.73 60.35 1ne3 s ARG 60 Cb -0.19 -3.18 -0.04 0.00 -1.03 0.00 0.00 34.95 30.52 1ne3 s ARG 60 CO 0.24 -0.13 0.21 -1.21 -1.13 0.00 0.00 175.30 173.28 1ne3 s GLU 61 N -0.70 3.43 -0.02 3.89 2.02 -1.26 -5.06 118.70 120.99 1ne3 s GLU 61 Ca 0.52 -0.46 -0.30 0.00 0.02 0.00 0.00 54.97 54.76 1ne3 s GLU 61 Cb -0.36 -3.03 -0.04 0.00 0.10 0.00 0.00 34.13 30.81 1ne3 s GLU 61 CO 0.41 0.60 1.17 0.00 0.02 0.00 0.00 175.26 177.47 1ne3 s ALA 62 N -1.53 3.44 -0.10 5.21 0.00 -1.26 -4.97 121.76 122.55 1ne3 s ALA 62 Ca 0.35 0.66 -0.29 0.00 0.00 0.00 0.00 51.96 52.67 1ne3 s ALA 62 Cb -0.13 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 1ne3 s ALA 62 CO 0.28 -0.63 1.46 0.21 0.00 0.00 0.00 175.76 177.08 1ne3 s LYS 63 N 1.82 4.21 -0.11 0.00 2.36 -1.26 -5.00 119.74 121.76 1ne3 s LYS 63 Ca 0.56 1.94 -0.04 0.00 -2.55 0.00 0.00 55.97 55.88 1ne3 s LYS 63 Cb -0.25 -3.87 -0.04 0.00 -1.05 0.00 0.00 37.83 32.63 1ne3 s LYS 63 CO 0.24 -0.77 0.04 -2.00 1.55 0.00 0.00 175.35 174.41 1ne3 s GLU 64 N 3.72 3.28 -0.44 4.03 2.56 -1.26 -5.06 118.70 125.53 1ne3 s GLU 64 Ca 0.64 -0.33 -0.29 0.00 0.00 0.00 0.00 54.97 54.99 1ne3 s GLU 64 Cb -0.28 -2.96 0.02 0.00 2.00 0.00 0.00 34.13 32.91 1ne3 s GLU 64 CO 0.23 0.64 1.30 0.42 -0.56 0.00 0.00 175.26 177.29 1ne3 s ILE 65 N -0.67 4.02 0.15 -3.70 1.01 -1.26 -5.00 121.20 115.75 1ne3 s ILE 65 Ca 0.11 1.04 -0.16 0.00 0.00 0.00 0.00 60.65 61.65 1ne3 s ILE 65 Cb -0.12 -4.36 -0.07 0.00 0.01 0.00 0.00 42.46 37.92 1ne3 s ILE 65 CO 0.02 -0.86 0.58 -0.60 0.00 0.00 0.00 174.94 174.08 1ne3 s ARG 66 N 4.75 4.05 0.09 2.79 3.52 -1.26 -5.09 118.95 127.80 1ne3 s ARG 66 Ca 0.56 0.58 0.10 0.00 -0.13 0.00 0.00 55.73 56.84 1ne3 s ARG 66 Cb -0.11 -2.96 -0.04 0.00 -1.56 0.00 0.00 34.95 30.28 1ne3 s ARG 66 CO 0.32 0.49 -0.24 0.95 -0.81 0.00 0.00 175.30 176.00 1ne3 s THR 67 N -1.43 2.37 -2.00 4.11 -4.23 -1.26 -5.35 115.64 107.86 1ne3 s THR 67 Ca 0.37 -1.53 0.24 0.00 -1.18 0.00 0.00 61.69 59.59 1ne3 s THR 67 Cb -0.16 -2.01 0.68 0.00 1.34 0.00 0.00 72.50 72.35 1ne3 s THR 67 CO 0.19 0.21 1.80 -0.81 -0.54 0.00 0.00 174.62 175.47