#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lx5 s THR 8 N 0.00 1.61 -0.22 6.31 2.01 -1.26 -4.02 115.64 120.06 1lx5 s THR 8 Ca 0.00 -1.27 0.20 0.00 0.31 0.00 0.00 61.69 60.93 1lx5 s THR 8 Cb 0.00 -1.85 -0.29 0.00 0.01 0.00 0.00 72.50 70.36 1lx5 s THR 8 CO 0.00 -0.09 0.53 0.00 -0.69 0.00 0.00 174.62 174.37 1lx5 n GLN 9 N 4.64 0.59 -3.52 4.92 6.02 -1.26 -4.39 117.38 124.38 1lx5 n GLN 9 Ca -0.12 -0.15 -0.15 0.00 -0.01 0.00 0.00 57.00 56.57 1lx5 n GLN 9 Cb 0.44 -1.47 -0.05 0.00 1.02 0.00 0.00 30.24 30.18 1lx5 n GLN 9 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1lx5 s GLU 10 N -3.29 1.09 0.29 -1.09 -1.05 -1.26 -0.23 118.70 113.15 1lx5 s GLU 10 Ca -0.04 -0.04 0.04 0.00 -0.15 0.00 0.00 54.97 54.78 1lx5 s GLU 10 Cb 0.13 0.51 -0.06 0.00 -0.44 0.00 0.00 34.13 34.27 1lx5 s GLU 10 CO 0.84 -0.39 0.01 0.00 0.95 0.00 0.00 175.26 176.67 1lx5 s LEU 12 N -3.42 4.47 -0.07 0.00 0.20 -1.26 -0.53 118.68 118.07 1lx5 s LEU 12 Ca 0.32 1.60 0.04 0.00 0.69 0.00 0.00 54.13 56.78 1lx5 s LEU 12 Cb 0.07 -3.39 -0.02 0.00 -0.43 0.00 0.00 46.19 42.42 1lx5 s LEU 12 CO 0.13 -0.02 -0.17 0.12 -0.29 0.00 0.00 176.35 176.12 1lx5 s PHE 13 N -0.05 2.65 -0.10 5.38 5.36 0.00 -3.11 117.98 128.11 1lx5 s PHE 13 Ca 0.42 -0.41 -0.09 0.00 -0.96 0.00 0.00 56.93 55.89 1lx5 s PHE 13 Cb -0.22 -1.67 0.03 0.00 -0.34 0.00 0.00 43.02 40.82 1lx5 s PHE 13 CO 0.26 -0.01 0.27 0.12 -1.46 0.00 0.00 175.22 174.40 1lx5 s PHE 14 N -0.34 -0.30 -0.22 10.12 5.36 0.11 -2.56 117.98 130.15 1lx5 s PHE 14 Ca 0.03 0.74 -0.03 0.00 -0.96 0.00 0.00 56.93 56.71 1lx5 s PHE 14 Cb -0.13 0.10 0.07 0.00 -0.34 0.00 0.00 43.02 42.72 1lx5 s PHE 14 CO 0.02 -0.16 0.05 1.21 -1.46 0.00 0.00 175.22 174.89 1lx5 s ASN 15 N 0.29 3.13 0.36 6.13 2.47 0.33 -1.80 114.94 125.85 1lx5 s ASN 15 Ca -0.01 -0.98 0.10 0.00 0.42 0.00 0.00 52.86 52.39 1lx5 s ASN 15 Cb -0.03 -0.62 0.87 0.00 -1.45 0.00 0.00 41.25 40.01 1lx5 s ASN 15 CO -0.01 -0.33 1.85 0.00 -3.72 0.00 0.00 177.10 174.89 1lx5 h ALA 16 N 8.23 1.90 -0.70 1.71 0.00 -1.46 0.78 119.26 129.71 1lx5 h ALA 16 Ca -0.16 0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.54 1lx5 h ALA 16 Cb 1.10 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.65 1lx5 h ALA 16 CO 0.36 -0.18 0.30 -1.71 0.00 0.00 0.00 179.25 178.03 1lx5 n ASN 17 N -4.59 4.39 -0.30 0.00 5.15 -1.26 -4.58 115.26 114.08 1lx5 n ASN 17 Ca 0.19 -3.13 0.17 0.00 -0.60 0.00 0.00 54.58 51.21 1lx5 n ASN 17 Cb 0.55 -0.74 0.44 0.00 -0.53 0.00 0.00 39.78 39.50 1lx5 n ASN 17 CO 0.00 0.00 0.00 4.11 1.40 0.00 0.00 177.26 182.77 1lx5 h TRP 18 N 2.14 0.76 -0.11 1.20 5.08 -1.12 -1.20 115.95 122.71 1lx5 h TRP 18 Ca 0.30 0.02 -0.01 0.00 1.08 0.00 0.00 58.89 60.28 1lx5 h TRP 18 Cb 2.26 -0.23 -0.00 0.00 -3.00 0.00 0.00 29.16 28.18 1lx5 h TRP 18 CO 1.20 0.18 0.04 0.93 -1.28 0.00 0.00 178.44 179.51 1lx5 h GLU 19 N 0.55 0.16 -0.04 0.12 5.08 -1.83 -0.44 114.58 118.19 1lx5 h GLU 19 Ca 0.52 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.66 1lx5 h GLU 19 Cb 1.09 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1lx5 h GLU 19 CO -0.26 0.28 -0.81 0.00 -1.00 0.00 0.00 179.01 177.22 1lx5 h ARG 20 N 0.00 0.33 0.00 2.33 3.08 -1.89 -3.19 114.38 115.04 1lx5 h ARG 20 Ca 0.03 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1lx5 h ARG 20 Cb 0.19 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1lx5 h ARG 20 CO -0.00 0.98 -0.08 -0.25 -1.07 0.00 0.00 179.97 179.54 1lx5 n ASP 21 N -3.77 0.29 -3.57 7.04 8.00 -0.47 -4.94 116.55 119.13 1lx5 n ASP 21 Ca -0.04 0.42 -0.21 0.00 0.71 0.00 0.00 54.79 55.67 1lx5 n ASP 21 Cb 0.75 -0.46 0.07 0.00 -0.02 0.00 0.00 41.12 41.46 1lx5 n ASP 21 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1lx5 n ARG 22 N -1.72 -6.55 -4.74 -1.24 5.12 -0.21 -5.02 116.66 102.31 1lx5 n ARG 22 Ca 0.06 0.78 -0.32 0.00 -1.93 0.00 0.00 57.85 56.44 1lx5 n ARG 22 Cb 0.37 -5.71 -0.07 0.00 -1.16 0.00 0.00 32.46 25.88 1lx5 n ARG 22 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1lx5 s THR 23 N -3.40 1.04 0.89 0.55 -4.23 -1.00 -5.07 115.64 104.41 1lx5 s THR 23 Ca 0.20 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.58 1lx5 s THR 23 Cb -0.09 -2.13 0.14 0.00 1.34 0.00 0.00 72.50 71.75 1lx5 s THR 23 CO 0.75 0.00 1.23 0.20 -0.54 0.00 0.00 174.62 176.26 1lx5 s ASN 24 N -3.86 3.78 -0.07 3.99 -0.87 -1.26 -4.66 114.94 112.00 1lx5 s ASN 24 Ca 0.06 0.60 -0.04 0.00 -1.57 0.00 0.00 52.86 51.90 1lx5 s ASN 24 Cb 0.01 -0.92 -0.27 0.00 -0.02 0.00 0.00 41.25 40.05 1lx5 s ASN 24 CO 0.03 -2.35 0.59 -0.61 -2.57 0.00 0.00 177.10 172.19 1lx5 h GLN 25 N -1.37 0.26 -4.86 -0.60 4.15 -1.91 -3.42 115.11 107.36 1lx5 h GLN 25 Ca -0.46 -0.44 -0.43 0.00 0.77 0.00 0.00 58.65 58.08 1lx5 h GLN 25 Cb 1.29 0.17 -0.14 0.00 0.21 0.00 0.00 27.48 29.01 1lx5 h GLN 25 CO 0.54 1.13 -0.53 0.95 -1.93 0.00 0.00 178.83 178.99 1lx5 s THR 26 N -2.58 0.12 -5.00 2.39 -4.23 -1.26 -0.51 115.64 104.57 1lx5 s THR 26 Ca -0.16 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.35 1lx5 s THR 26 Cb 0.07 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.42 1lx5 s THR 26 CO 0.82 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.51 1lx5 n GLY 27 N -0.59 0.10 3.79 3.99 0.00 -1.06 -4.98 105.19 106.44 1lx5 n GLY 27 Ca 0.04 -1.74 -0.36 0.00 0.00 0.00 0.00 46.02 43.96 1lx5 n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lx5 s VAL 28 N -1.81 5.13 -0.15 1.61 1.01 -1.26 -0.82 120.40 124.10 1lx5 s VAL 28 Ca 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 61.98 62.00 1lx5 s VAL 28 Cb 0.00 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 1lx5 s VAL 28 CO 0.00 0.58 0.00 -0.70 0.00 0.00 0.00 175.10 174.99 1lx5 s GLU 29 N -0.71 3.69 0.06 2.72 2.12 0.31 -4.88 118.70 122.00 1lx5 s GLU 29 Ca 0.13 -0.44 -0.31 0.00 0.36 0.00 0.00 54.97 54.71 1lx5 s GLU 29 Cb -0.12 -3.01 -0.05 0.00 0.26 0.00 0.00 34.13 31.21 1lx5 s GLU 29 CO 0.03 0.32 1.19 -2.14 -0.54 0.00 0.00 175.26 174.11 1lx5 s PRO 30 N 0.18 4.44 0.14 4.30 0.02 -1.26 -1.28 135.00 141.54 1lx5 s PRO 30 Ca 0.01 1.75 0.24 0.00 0.02 0.00 0.00 61.00 63.02 1lx5 s PRO 30 Cb -0.13 -3.35 0.91 0.00 0.02 0.00 0.00 34.50 31.95 1lx5 s PRO 30 CO 0.02 -0.25 1.73 0.00 -0.33 0.00 0.00 177.00 178.17 1lx5 n TYR 32 N -1.95 -1.65 -2.46 0.00 0.53 -1.26 -4.85 117.16 105.51 1lx5 n TYR 32 Ca 0.04 0.24 -0.41 0.00 -1.02 0.00 0.00 57.90 56.75 1lx5 n TYR 32 Cb 0.30 -2.70 -0.03 0.00 -1.03 0.00 0.00 39.34 35.88 1lx5 n TYR 32 CO 0.00 0.00 0.00 0.20 -1.02 0.00 0.00 176.86 176.04 1lx5 s GLY 33 N -2.37 0.78 -0.24 2.72 0.00 -1.26 -4.98 107.32 101.97 1lx5 s GLY 33 Ca 0.20 -1.21 -0.00 0.00 0.00 0.00 0.00 44.72 43.71 1lx5 s GLY 33 CO 0.25 2.78 -0.01 0.99 0.00 0.00 0.00 173.10 177.11 1lx5 s ASP 34 N 4.44 3.71 0.00 1.64 1.01 -1.26 -4.90 116.67 121.31 1lx5 s ASP 34 Ca 0.41 -1.22 0.00 0.00 0.71 0.00 0.00 52.55 52.46 1lx5 s ASP 34 Cb -0.09 -1.03 0.00 0.00 1.01 0.00 0.00 42.92 42.82 1lx5 s ASP 34 CO 0.17 -0.29 0.00 2.29 0.21 0.00 0.00 175.17 177.55 1lx5 n LYS 35 N 4.76 0.00 0.18 8.23 2.85 -1.26 -3.95 118.16 128.97 1lx5 n LYS 35 Ca -0.09 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.17 1lx5 n LYS 35 Cb 0.44 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.82 1lx5 n LYS 35 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1lx5 n ASP 36 N 0.00 -3.25 -4.42 -5.58 -0.08 -1.26 -5.09 116.55 96.87 1lx5 n ASP 36 Ca 0.00 0.70 -0.31 0.00 -1.51 0.00 0.00 54.79 53.68 1lx5 n ASP 36 Cb 0.00 3.13 -0.13 0.00 2.34 0.00 0.00 41.12 46.46 1lx5 n ASP 36 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1lx5 s LYS 37 N -1.74 1.98 0.86 -0.67 -2.85 -1.25 -5.14 119.74 110.93 1lx5 s LYS 37 Ca 0.00 -1.02 -0.12 0.00 -1.00 0.00 0.00 55.97 53.83 1lx5 s LYS 37 Cb 0.00 -2.12 0.11 0.00 -2.06 0.00 0.00 37.83 33.76 1lx5 s LYS 37 CO 0.00 0.53 1.11 1.03 0.10 0.00 0.00 175.35 178.12 1lx5 s ARG 38 N -1.37 1.57 0.02 1.78 0.52 -1.26 -4.21 118.95 115.99 1lx5 s ARG 38 Ca 0.14 0.57 -0.04 0.00 -0.52 0.00 0.00 55.73 55.88 1lx5 s ARG 38 Cb -0.10 -1.86 -0.01 0.00 0.52 0.00 0.00 34.95 33.49 1lx5 s ARG 38 CO 0.04 -1.96 0.06 1.03 0.02 0.00 0.00 175.30 174.48 1lx5 s ARG 39 N -5.14 0.43 0.23 3.54 1.81 -1.26 -2.34 118.95 116.22 1lx5 s ARG 39 Ca 0.62 -0.57 0.03 0.00 -1.72 0.00 0.00 55.73 54.10 1lx5 s ARG 39 Cb -0.15 0.17 -0.01 0.00 -0.45 0.00 0.00 34.95 34.50 1lx5 s ARG 39 CO 0.55 -0.09 0.12 0.72 -0.68 0.00 0.00 175.30 175.91 1lx5 n HIS 40 N 1.37 -0.11 -4.32 -0.53 8.25 -0.89 -4.57 115.22 114.42 1lx5 n HIS 40 Ca -0.22 -1.61 -0.24 0.00 -0.26 0.00 0.00 57.72 55.39 1lx5 n HIS 40 Cb 0.56 0.06 -0.08 0.00 1.12 0.00 0.00 29.99 31.65 1lx5 n HIS 40 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1lx5 s PHE 42 N -2.43 0.76 -0.18 0.00 -0.12 0.12 -2.06 117.98 114.07 1lx5 s PHE 42 Ca 0.33 -1.05 -0.15 0.00 -0.05 0.00 0.00 56.93 56.01 1lx5 s PHE 42 Cb -0.04 -0.14 0.05 0.00 -0.63 0.00 0.00 43.02 42.26 1lx5 s PHE 42 CO 0.19 -0.87 0.48 0.00 -0.05 0.00 0.00 175.22 174.97 1lx5 s ALA 43 N -3.97 -1.19 -0.03 1.99 0.00 0.32 -1.89 121.76 116.99 1lx5 s ALA 43 Ca 0.30 1.43 0.02 0.00 0.00 0.00 0.00 51.96 53.70 1lx5 s ALA 43 Cb 0.02 -0.84 0.01 0.00 0.00 0.00 0.00 23.12 22.32 1lx5 s ALA 43 CO 0.12 -0.24 -0.06 -0.08 0.00 0.00 0.00 175.76 175.50 1lx5 s THR 44 N 0.51 0.59 0.19 0.00 -1.32 0.14 -0.24 115.64 115.50 1lx5 s THR 44 Ca -0.02 -0.23 -0.17 0.00 -1.21 0.00 0.00 61.69 60.06 1lx5 s THR 44 Cb -0.04 -0.55 0.03 0.00 -1.51 0.00 0.00 72.50 70.42 1lx5 s THR 44 CO -0.03 0.21 0.51 -1.66 -2.21 0.00 0.00 174.62 171.44 1lx5 s TRP 45 N 0.42 -0.13 0.13 9.09 -2.14 0.22 -0.21 118.94 126.33 1lx5 s TRP 45 Ca -0.06 -0.21 0.03 0.00 2.66 0.00 0.00 56.10 58.52 1lx5 s TRP 45 Cb -0.10 0.37 -0.04 0.00 -3.10 0.00 0.00 33.47 30.61 1lx5 s TRP 45 CO 0.00 -0.89 0.23 0.15 -2.66 0.00 0.00 176.95 173.79 1lx5 s LYS 46 N -3.86 3.31 -0.51 3.25 1.02 0.19 -0.32 119.74 122.81 1lx5 s LYS 46 Ca 0.08 -0.63 0.07 0.00 0.02 0.00 0.00 55.97 55.52 1lx5 s LYS 46 Cb -0.01 -2.91 0.33 0.00 -0.52 0.00 0.00 37.83 34.73 1lx5 s LYS 46 CO -0.04 0.53 0.85 -1.71 -0.92 0.00 0.00 175.35 174.06 1lx5 n ASN 47 N -0.31 3.15 -4.55 2.83 2.85 -1.26 -1.84 115.26 116.12 1lx5 n ASN 47 Ca -0.07 -3.42 -0.34 0.00 -0.11 0.00 0.00 54.58 50.64 1lx5 n ASN 47 Cb 0.53 -0.59 -0.03 0.00 1.24 0.00 0.00 39.78 40.93 1lx5 n ASN 47 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1lx5 s ILE 48 N -3.56 3.14 -0.74 -1.44 1.01 0.27 -3.40 121.20 116.48 1lx5 s ILE 48 Ca 0.45 0.04 -0.08 0.00 0.00 0.00 0.00 60.65 61.07 1lx5 s ILE 48 Cb 0.29 -3.36 0.01 0.00 0.01 0.00 0.00 42.46 39.41 1lx5 s ILE 48 CO -0.11 -0.35 0.62 -1.20 0.00 0.00 0.00 174.94 173.90 1lx5 n SER 49 N 15.10 -5.21 0.00 3.58 7.64 -1.26 0.75 113.62 134.22 1lx5 n SER 49 Ca 0.33 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.47 1lx5 n SER 49 Cb 0.52 -1.96 0.00 0.00 -1.01 0.00 0.00 64.21 61.76 1lx5 n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1lx5 n GLY 50 N -1.36 1.22 3.74 0.23 0.00 -1.22 -4.90 105.19 102.91 1lx5 n GLY 50 Ca -0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 1lx5 n GLY 50 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1lx5 s SER 51 N -1.63 7.20 -0.13 1.61 0.01 0.23 -5.04 113.70 115.95 1lx5 s SER 51 Ca 0.00 1.44 0.02 0.00 1.31 0.00 0.00 55.95 58.72 1lx5 s SER 51 Cb 0.00 -2.47 0.01 0.00 0.21 0.00 0.00 66.02 63.77 1lx5 s SER 51 CO 0.00 -0.00 -0.20 -0.63 0.41 0.00 0.00 173.24 172.81 1lx5 s ILE 52 N 0.04 1.93 -0.07 1.44 1.01 -1.26 0.97 121.20 125.26 1lx5 s ILE 52 Ca 0.39 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 60.17 1lx5 s ILE 52 Cb -0.20 -1.72 0.00 0.00 0.01 0.00 0.00 42.46 40.56 1lx5 s ILE 52 CO 0.23 0.52 -0.17 -0.70 0.00 0.00 0.00 174.94 174.82 1lx5 s GLU 53 N 0.88 2.12 0.15 2.79 2.12 -0.77 -4.99 118.70 121.00 1lx5 s GLU 53 Ca -0.06 -0.61 -0.29 0.00 0.36 0.00 0.00 54.97 54.37 1lx5 s GLU 53 Cb -0.15 -1.72 -0.07 0.00 0.26 0.00 0.00 34.13 32.45 1lx5 s GLU 53 CO -0.02 0.14 0.90 0.42 -0.54 0.00 0.00 175.26 176.16 1lx5 s ILE 54 N 0.38 4.37 -0.22 -3.70 1.01 -1.26 -0.64 121.20 121.13 1lx5 s ILE 54 Ca -0.13 1.97 -0.16 0.00 0.00 0.00 0.00 60.65 62.33 1lx5 s ILE 54 Cb -0.15 -4.27 -0.09 0.00 0.01 0.00 0.00 42.46 37.95 1lx5 s ILE 54 CO 0.05 0.41 -0.31 0.52 0.00 0.00 0.00 174.94 175.61 1lx5 n VAL 55 N 2.20 1.51 -3.92 2.92 0.31 0.71 -4.65 118.33 117.40 1lx5 n VAL 55 Ca -0.01 -0.11 -0.09 0.00 -0.01 0.00 0.00 64.34 64.12 1lx5 n VAL 55 Cb 0.49 -2.12 -0.09 0.00 -0.91 0.00 0.00 33.84 31.21 1lx5 n VAL 55 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1lx5 s LYS 56 N -2.65 0.68 -0.21 5.55 1.02 -0.59 -1.30 119.74 122.24 1lx5 s LYS 56 Ca -0.33 -0.87 -0.09 0.00 0.02 0.00 0.00 55.97 54.71 1lx5 s LYS 56 Cb 0.09 0.27 0.09 0.00 -0.52 0.00 0.00 37.83 37.75 1lx5 s LYS 56 CO 0.45 -0.18 0.47 -0.65 -0.92 0.00 0.00 175.35 174.53 1lx5 s GLN 57 N -3.16 0.41 0.00 1.68 -0.21 -0.75 0.23 119.66 117.87 1lx5 s GLN 57 Ca -0.00 1.04 0.00 0.00 0.02 0.00 0.00 55.36 56.42 1lx5 s GLN 57 Cb 0.02 0.28 0.00 0.00 1.00 0.00 0.00 33.01 34.31 1lx5 s GLN 57 CO -0.07 -0.21 0.00 0.41 -2.12 0.00 0.00 175.29 173.30 1lx5 n GLY 58 N 4.97 2.06 3.92 3.09 0.00 -0.79 0.09 105.19 118.52 1lx5 n GLY 58 Ca -0.14 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 44.98 1lx5 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lx5 s TRP 60 N -2.95 -1.01 0.33 0.00 -0.11 0.18 -4.64 118.94 110.74 1lx5 s TRP 60 Ca 0.53 0.57 -0.16 0.00 1.22 0.00 0.00 56.10 58.26 1lx5 s TRP 60 Cb -0.10 -0.05 -0.12 0.00 -1.50 0.00 0.00 33.47 31.69 1lx5 s TRP 60 CO 0.45 -0.90 0.03 1.28 -4.62 0.00 0.00 176.95 173.18 1lx5 n LEU 61 N 5.36 -2.39 -2.42 5.86 4.32 -1.26 -2.09 117.00 124.38 1lx5 n LEU 61 Ca -0.01 0.60 -0.34 0.00 -0.02 0.00 0.00 56.01 56.25 1lx5 n LEU 61 Cb 0.50 -0.68 -0.05 0.00 -1.62 0.00 0.00 43.42 41.57 1lx5 n LEU 61 CO 0.01 -3.38 0.51 -0.67 -1.22 0.00 0.00 177.39 172.63 1lx5 n ASP 62 N 1.85 0.44 -3.61 -1.43 4.64 -0.99 -4.70 116.55 112.75 1lx5 n ASP 62 Ca 0.08 0.61 -0.24 0.00 -1.38 0.00 0.00 54.79 53.86 1lx5 n ASP 62 Cb 0.32 -0.46 -0.17 0.00 -1.04 0.00 0.00 41.12 39.77 1lx5 n ASP 62 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 1lx5 s ASP 63 N 1.10 2.05 0.00 1.67 -1.08 -1.26 -5.00 116.67 114.14 1lx5 s ASP 63 Ca 0.52 -0.45 0.00 0.00 -0.52 0.00 0.00 52.55 52.10 1lx5 s ASP 63 Cb -0.74 -0.17 0.00 0.00 -1.46 0.00 0.00 42.92 40.55 1lx5 s ASP 63 CO 0.39 -0.33 0.78 0.00 0.52 0.00 0.00 175.17 176.53 1lx5 n ILE 64 N 5.29 1.20 0.05 4.11 3.06 -1.26 -0.70 119.36 131.10 1lx5 n ILE 64 Ca -0.06 0.33 -0.15 0.00 -2.50 0.00 0.00 62.75 60.38 1lx5 n ILE 64 Cb 0.49 -1.33 -0.14 0.00 0.54 0.00 0.00 39.64 39.20 1lx5 n ILE 64 CO 0.00 0.00 0.00 0.78 -2.50 0.00 0.00 176.55 174.83 1lx5 h ASN 65 N 0.00 0.29 -2.40 9.51 2.35 -1.99 -3.32 115.58 120.02 1lx5 h ASN 65 Ca 0.00 -0.41 -0.75 0.00 -0.55 0.00 0.00 56.30 54.58 1lx5 h ASN 65 Cb 0.07 -0.09 -0.31 0.00 0.05 0.00 0.00 38.32 38.03 1lx5 h ASN 65 CO 0.00 1.35 0.56 0.00 -1.65 0.00 0.00 177.43 177.69 1lx5 s TYR 67 N -3.71 3.38 -1.29 0.00 1.51 -1.25 -4.47 117.35 111.51 1lx5 s TYR 67 Ca 0.39 0.34 -0.04 0.00 -1.01 0.00 0.00 57.07 56.75 1lx5 s TYR 67 Cb 0.17 -1.84 0.01 0.00 -0.11 0.00 0.00 41.96 40.19 1lx5 s TYR 67 CO -0.07 0.60 1.00 -0.25 -1.11 0.00 0.00 175.55 175.72 1lx5 n ASP 68 N 1.83 -3.39 -3.90 2.29 8.00 -1.26 -4.98 116.55 115.13 1lx5 n ASP 68 Ca -0.18 -0.65 -0.24 0.00 0.71 0.00 0.00 54.79 54.44 1lx5 n ASP 68 Cb 0.54 -4.81 -0.17 0.00 -0.02 0.00 0.00 41.12 36.66 1lx5 n ASP 68 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1lx5 s ARG 69 N -5.85 1.22 0.00 -1.24 0.52 -1.26 -5.00 118.95 107.33 1lx5 s ARG 69 Ca 0.23 -0.18 0.02 0.00 -0.52 0.00 0.00 55.73 55.28 1lx5 s ARG 69 Cb -0.11 -1.25 0.01 0.00 0.52 0.00 0.00 34.95 34.13 1lx5 s ARG 69 CO 0.75 -0.17 0.54 0.25 0.02 0.00 0.00 175.30 176.69 1lx5 n THR 70 N 4.53 0.00 -4.10 0.02 -2.24 -1.26 0.17 114.28 111.40 1lx5 n THR 70 Ca -0.17 -0.50 -0.15 0.00 -2.27 0.00 0.00 64.05 60.97 1lx5 n THR 70 Cb 0.51 1.04 -0.12 0.00 -2.10 0.00 0.00 70.33 69.66 1lx5 n THR 70 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1lx5 s ASP 71 N -0.24 1.15 -0.79 3.42 1.01 -1.26 -4.85 116.67 115.12 1lx5 s ASP 71 Ca 0.02 -0.59 -0.15 0.00 0.71 0.00 0.00 52.55 52.55 1lx5 s ASP 71 Cb 0.02 0.01 0.20 0.00 1.01 0.00 0.00 42.92 44.16 1lx5 s ASP 71 CO 0.03 -0.17 0.75 0.00 0.21 0.00 0.00 175.17 175.99 1lx5 s ILE 73 N 0.55 2.45 -0.08 0.00 1.01 -1.24 0.75 121.20 124.64 1lx5 s ILE 73 Ca 0.16 -0.92 -0.10 0.00 0.00 0.00 0.00 60.65 59.79 1lx5 s ILE 73 Cb -0.13 -1.93 -0.05 0.00 0.01 0.00 0.00 42.46 40.36 1lx5 s ILE 73 CO -0.07 0.57 0.24 -0.70 0.00 0.00 0.00 174.94 174.98 1lx5 s GLU 74 N -0.21 3.66 0.00 2.79 2.56 0.54 -4.86 118.70 123.19 1lx5 s GLU 74 Ca -0.01 0.06 0.08 0.00 0.00 0.00 0.00 54.97 55.10 1lx5 s GLU 74 Cb -0.13 -3.22 0.21 0.00 2.00 0.00 0.00 34.13 32.99 1lx5 s GLU 74 CO 0.03 0.71 1.16 1.63 -0.56 0.00 0.00 175.26 178.23 1lx5 n LYS 75 N 2.05 2.74 -3.14 4.30 5.02 -1.26 -1.78 118.16 126.09 1lx5 n LYS 75 Ca -0.17 -1.85 -0.38 0.00 -2.02 0.00 0.00 58.31 53.89 1lx5 n LYS 75 Cb 0.54 -1.19 -0.06 0.00 -0.02 0.00 0.00 35.03 34.30 1lx5 n LYS 75 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1lx5 s LYS 76 N -0.98 4.35 -0.07 1.97 2.20 -1.26 -3.04 119.74 122.91 1lx5 s LYS 76 Ca 0.16 0.92 -0.30 0.00 -0.36 0.00 0.00 55.97 56.39 1lx5 s LYS 76 Cb 0.09 -3.19 -0.04 0.00 -1.51 0.00 0.00 37.83 33.18 1lx5 s LYS 76 CO 0.11 0.57 1.36 0.34 -0.36 0.00 0.00 175.35 177.38 1lx5 s ASP 77 N -1.23 6.89 -1.30 1.43 3.68 -1.26 -4.03 116.67 120.85 1lx5 s ASP 77 Ca 0.34 1.95 -0.20 0.00 2.13 0.00 0.00 52.55 56.77 1lx5 s ASP 77 Cb -0.20 -2.55 0.02 0.00 -1.45 0.00 0.00 42.92 38.74 1lx5 s ASP 77 CO 0.22 -0.74 0.52 -1.20 0.13 0.00 0.00 175.17 174.10 1lx5 n SER 78 N 5.95 -2.72 -4.77 -0.34 7.64 -1.26 -4.87 113.62 113.26 1lx5 n SER 78 Ca 0.14 -1.21 -0.38 0.00 1.01 0.00 0.00 58.87 58.43 1lx5 n SER 78 Cb 0.44 -2.14 -0.00 0.00 -1.01 0.00 0.00 64.21 61.50 1lx5 n SER 78 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1lx5 s PRO 79 N -7.06 3.73 0.14 1.43 0.04 -1.26 -4.94 135.00 127.09 1lx5 s PRO 79 Ca 0.32 1.90 -0.18 0.00 0.04 0.00 0.00 61.00 63.08 1lx5 s PRO 79 Cb -0.16 -2.47 0.02 0.00 0.04 0.00 0.00 34.50 31.94 1lx5 s PRO 79 CO 0.95 -0.61 1.74 0.93 0.04 0.00 0.00 177.00 180.05 1lx5 h GLU 80 N 2.12 0.19 -5.35 4.56 5.08 -1.98 -3.42 114.58 115.79 1lx5 h GLU 80 Ca -0.50 -0.01 -0.50 0.00 -1.00 0.00 0.00 59.36 57.35 1lx5 h GLU 80 Cb 1.25 -0.04 -0.29 0.00 0.50 0.00 0.00 28.75 30.17 1lx5 h GLU 80 CO 0.60 0.13 -0.82 0.08 -1.00 0.00 0.00 179.01 178.00 1lx5 s VAL 81 N -6.17 1.19 -0.09 3.13 1.01 -1.26 -4.81 120.40 113.39 1lx5 s VAL 81 Ca -0.13 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.09 1lx5 s VAL 81 Cb 0.11 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.45 1lx5 s VAL 81 CO 0.70 0.34 0.30 -0.31 0.00 0.00 0.00 175.10 176.13 1lx5 s TYR 82 N -0.29 3.60 -0.01 5.22 1.51 0.57 -4.92 117.35 123.03 1lx5 s TYR 82 Ca 0.05 0.74 0.03 0.00 -1.01 0.00 0.00 57.07 56.87 1lx5 s TYR 82 Cb -0.06 -2.22 -0.01 0.00 -0.11 0.00 0.00 41.96 39.56 1lx5 s TYR 82 CO -0.00 0.52 -0.09 0.12 -1.11 0.00 0.00 175.55 174.99 1lx5 s PHE 83 N -0.51 0.78 -0.00 2.71 5.36 -1.26 0.73 117.98 125.79 1lx5 s PHE 83 Ca 0.19 -0.15 -0.13 0.00 -0.96 0.00 0.00 56.93 55.88 1lx5 s PHE 83 Cb -0.14 -0.50 0.02 0.00 -0.34 0.00 0.00 43.02 42.06 1lx5 s PHE 83 CO 0.08 -0.01 0.27 0.00 -1.46 0.00 0.00 175.22 174.09 1lx5 s GLU 87 N -2.86 2.24 0.00 0.00 2.02 0.46 -1.98 118.70 118.57 1lx5 s GLU 87 Ca 0.31 -1.69 0.00 0.00 0.02 0.00 0.00 54.97 53.61 1lx5 s GLU 87 Cb -0.01 -2.04 0.00 0.00 0.10 0.00 0.00 34.13 32.18 1lx5 s GLU 87 CO 0.22 0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.97 1lx5 n GLY 88 N -1.11 0.60 3.48 -1.39 0.00 -1.26 -4.51 105.19 101.00 1lx5 n GLY 88 Ca -0.03 -1.30 -0.47 0.00 0.00 0.00 0.00 46.02 44.22 1lx5 n GLY 88 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1lx5 n ASN 89 N -0.12 -0.14 -1.50 1.61 4.13 -1.26 -0.17 115.26 117.81 1lx5 n ASN 89 Ca 0.00 1.15 -0.07 0.00 1.68 0.00 0.00 54.58 57.34 1lx5 n ASN 89 Cb 0.00 -1.10 -0.02 0.00 -1.54 0.00 0.00 39.78 37.12 1lx5 n ASN 89 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 1lx5 n MET 90 N 0.89 -1.49 0.03 3.52 2.81 -0.24 -4.70 117.12 117.94 1lx5 n MET 90 Ca 0.14 0.40 0.10 0.00 -1.81 0.00 0.00 57.70 56.53 1lx5 n MET 90 Cb 0.28 -4.63 0.54 0.00 -0.71 0.00 0.00 33.22 28.70 1lx5 n MET 90 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1lx5 h ASN 92 N 0.30 0.00 -0.77 0.00 -1.07 -1.84 -3.29 115.58 108.90 1lx5 h ASN 92 Ca 0.17 0.00 0.13 0.00 0.07 0.00 0.00 56.30 56.67 1lx5 h ASN 92 Cb 0.31 0.00 -0.13 0.00 -2.07 0.00 0.00 38.32 36.42 1lx5 h ASN 92 CO -0.04 0.00 -0.27 1.21 0.07 0.00 0.00 177.43 178.40 1lx5 n GLU 93 N -2.29 -0.15 -5.30 4.14 2.13 0.03 -4.30 120.64 114.90 1lx5 n GLU 93 Ca -0.00 1.19 -0.31 0.00 0.66 0.00 0.00 57.16 58.70 1lx5 n GLU 93 Cb 0.09 -1.77 -0.16 0.00 0.27 0.00 0.00 31.44 29.87 1lx5 n GLU 93 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1lx5 s LYS 94 N -5.80 2.14 0.15 5.31 -2.85 -1.24 -5.14 119.74 112.30 1lx5 s LYS 94 Ca -0.11 -0.93 0.06 0.00 -1.00 0.00 0.00 55.97 54.00 1lx5 s LYS 94 Cb 0.17 -2.04 -0.04 0.00 -2.06 0.00 0.00 37.83 33.86 1lx5 s LYS 94 CO 0.57 0.55 -0.14 -0.59 0.10 0.00 0.00 175.35 175.83 1lx5 s PHE 95 N -0.58 1.49 0.18 1.78 -0.12 -1.26 -4.44 117.98 115.03 1lx5 s PHE 95 Ca 0.09 -0.58 0.00 0.00 -0.05 0.00 0.00 56.93 56.39 1lx5 s PHE 95 Cb -0.10 -0.75 -0.04 0.00 -0.63 0.00 0.00 43.02 41.49 1lx5 s PHE 95 CO -0.01 0.20 0.06 -1.54 -0.05 0.00 0.00 175.22 173.88 1lx5 s SER 96 N -2.75 0.71 -0.12 1.98 1.04 0.23 -5.01 113.70 109.77 1lx5 s SER 96 Ca 0.13 -1.26 0.01 0.00 0.48 0.00 0.00 55.95 55.31 1lx5 s SER 96 Cb -0.03 0.23 0.02 0.00 0.10 0.00 0.00 66.02 66.34 1lx5 s SER 96 CO 0.04 -0.70 -0.15 -0.47 0.98 0.00 0.00 173.24 172.93 1lx5 s TYR 97 N -3.90 2.07 -0.45 5.02 6.04 -1.26 -0.34 117.35 124.53 1lx5 s TYR 97 Ca 0.29 -1.04 0.06 0.00 0.04 0.00 0.00 57.07 56.42 1lx5 s TYR 97 Cb 0.07 -1.50 0.18 0.00 -1.04 0.00 0.00 41.96 39.67 1lx5 s TYR 97 CO 0.06 -0.54 0.55 -0.06 -1.54 0.00 0.00 175.55 174.03 1lx5 s PHE 98 N 1.13 -0.68 0.91 4.97 0.08 -0.73 -4.88 117.98 118.78 1lx5 s PHE 98 Ca -0.03 -1.01 -0.16 0.00 0.12 0.00 0.00 56.93 55.85 1lx5 s PHE 98 Cb -0.14 -0.14 -0.14 0.00 -0.57 0.00 0.00 43.02 42.03 1lx5 s PHE 98 CO -0.04 -1.10 -0.80 -2.30 -0.10 0.00 0.00 175.22 170.88 1lx5 n PRO 99 N 3.28 0.00 0.00 0.24 -0.02 -1.26 -4.66 135.00 132.59 1lx5 n PRO 99 Ca 0.19 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.80 1lx5 n PRO 99 Cb 0.52 -0.91 0.27 0.00 -0.02 0.00 0.00 33.50 33.36 1lx5 n PRO 99 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63