#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xs8 n SER 2 N 0.00 -3.10 -3.74 3.17 2.88 -1.26 -5.03 113.62 106.54 1xs8 n SER 2 Ca 0.00 1.03 -0.30 0.00 -1.33 0.00 0.00 58.87 58.27 1xs8 n SER 2 Cb 0.00 -4.19 -0.15 0.00 -0.75 0.00 0.00 64.21 59.12 1xs8 n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xs8 s ARG 3 N -0.95 0.81 -0.25 -1.46 1.70 -1.26 -5.09 118.95 112.45 1xs8 s ARG 3 Ca -0.13 -1.22 -0.15 0.00 -0.47 0.00 0.00 55.73 53.76 1xs8 s ARG 3 Cb 0.01 -2.07 -0.04 0.00 -0.57 0.00 0.00 34.95 32.28 1xs8 s ARG 3 CO 0.59 -1.01 0.39 0.99 -1.08 0.00 0.00 175.30 175.18 1xs8 s THR 4 N 1.43 5.17 0.39 4.99 2.01 -1.26 -0.23 115.64 128.14 1xs8 s THR 4 Ca 0.11 0.62 0.07 0.00 0.31 0.00 0.00 61.69 62.80 1xs8 s THR 4 Cb -0.18 -3.71 -0.08 0.00 0.01 0.00 0.00 72.50 68.54 1xs8 s THR 4 CO -0.21 0.18 0.01 0.27 -0.69 0.00 0.00 174.62 174.17 1xs8 s ILE 5 N 1.90 1.90 -0.57 1.82 -5.25 0.58 -4.90 121.20 116.68 1xs8 s ILE 5 Ca 0.16 -2.01 -0.20 0.00 -0.99 0.00 0.00 60.65 57.61 1xs8 s ILE 5 Cb -0.15 -2.95 0.08 0.00 2.95 0.00 0.00 42.46 42.39 1xs8 s ILE 5 CO 0.09 -0.02 0.73 0.12 -1.79 0.00 0.00 174.94 174.07 1xs8 s PHE 6 N -2.79 2.96 0.13 1.37 5.36 -1.26 -0.40 117.98 123.35 1xs8 s PHE 6 Ca 0.35 -0.70 -0.31 0.00 -0.96 0.00 0.00 56.93 55.31 1xs8 s PHE 6 Cb 0.09 -3.89 -0.08 0.00 -0.34 0.00 0.00 43.02 38.80 1xs8 s PHE 6 CO 0.18 -1.26 1.32 0.00 -1.46 0.00 0.00 175.22 173.99 1xs8 h THR 8 N 4.16 1.17 -0.38 0.00 1.35 -1.53 0.30 112.91 117.98 1xs8 h THR 8 Ca -0.43 -0.53 -0.16 0.00 -0.55 0.00 0.00 66.41 64.75 1xs8 h THR 8 Cb 1.21 1.08 -0.01 0.00 -1.73 0.00 0.00 68.15 68.70 1xs8 h THR 8 CO 0.82 0.18 -0.38 0.22 -0.25 0.00 0.00 175.52 176.11 1xs8 h TYR 9 N 0.23 1.09 0.00 4.73 3.20 -1.80 -3.22 116.97 121.21 1xs8 h TYR 9 Ca 0.08 -0.32 -0.18 0.00 3.14 0.00 0.00 58.73 61.44 1xs8 h TYR 9 Cb 0.19 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.20 1xs8 h TYR 9 CO -0.01 1.14 -0.98 -0.07 -1.64 0.00 0.00 178.16 176.60 1xs8 h LEU 10 N 0.75 0.00 2.03 2.82 3.38 -1.90 -3.47 115.31 118.92 1xs8 h LEU 10 Ca 0.06 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.64 1xs8 h LEU 10 Cb 0.96 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.73 1xs8 h LEU 10 CO 0.09 0.80 -0.55 0.00 0.09 0.00 0.00 178.44 178.87 1xs8 n GLN 11 N -3.22 -2.96 -4.01 1.13 1.13 0.11 -4.96 117.38 104.60 1xs8 n GLN 11 Ca -0.03 0.93 -0.11 0.00 -1.94 0.00 0.00 57.00 55.86 1xs8 n GLN 11 Cb 0.88 -5.63 -0.04 0.00 0.11 0.00 0.00 30.24 25.57 1xs8 n GLN 11 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1xs8 s ARG 12 N -5.28 1.79 0.18 -1.09 0.52 -1.24 -4.97 118.95 108.86 1xs8 s ARG 12 Ca 0.13 -1.48 -0.32 0.00 -0.52 0.00 0.00 55.73 53.54 1xs8 s ARG 12 Cb -0.06 0.48 -0.10 0.00 0.52 0.00 0.00 34.95 35.79 1xs8 s ARG 12 CO 0.16 -0.76 1.60 -0.51 0.02 0.00 0.00 175.30 175.81 1xs8 s ASP 13 N -3.11 6.54 0.21 0.23 1.11 -1.26 -2.03 116.67 118.35 1xs8 s ASP 13 Ca 0.25 2.68 -0.05 0.00 0.18 0.00 0.00 52.55 55.60 1xs8 s ASP 13 Cb -0.01 -2.60 -0.03 0.00 1.07 0.00 0.00 42.92 41.36 1xs8 s ASP 13 CO 0.14 -0.86 0.25 0.00 1.18 0.00 0.00 175.17 175.88 1xs8 s ALA 14 N 1.14 0.59 -0.24 5.23 0.00 0.47 -4.89 121.76 124.06 1xs8 s ALA 14 Ca 0.71 -1.35 -0.16 0.00 0.00 0.00 0.00 51.96 51.16 1xs8 s ALA 14 Cb -0.45 1.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 1xs8 s ALA 14 CO 0.31 -0.67 0.44 -2.00 0.00 0.00 0.00 175.76 173.84 1xs8 s GLU 15 N -4.09 4.09 0.47 0.00 2.12 -1.26 -0.31 118.70 119.72 1xs8 s GLU 15 Ca 0.31 0.21 -0.24 0.00 0.36 0.00 0.00 54.97 55.60 1xs8 s GLU 15 Cb 0.04 -3.62 -0.07 0.00 0.26 0.00 0.00 34.13 30.74 1xs8 s GLU 15 CO 0.09 -0.23 1.38 0.20 -0.54 0.00 0.00 175.26 176.17 1xs8 s GLY 16 N 1.41 2.91 0.00 -1.50 0.00 0.68 -3.00 107.32 107.81 1xs8 s GLY 16 Ca 0.19 1.38 0.00 0.00 0.00 0.00 0.00 44.72 46.29 1xs8 s GLY 16 CO 0.09 1.96 0.00 -1.06 0.00 0.00 0.00 173.10 174.09 1xs8 n GLN 17 N -0.39 0.81 0.00 2.90 6.02 -0.92 -4.79 117.38 121.02 1xs8 n GLN 17 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 1xs8 n GLN 17 Cb 0.43 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.69 1xs8 n GLN 17 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1xs8 n ASP 18 N -0.41 -0.54 0.00 1.08 8.00 -1.26 -4.98 116.55 118.44 1xs8 n ASP 18 Ca 0.00 -0.59 0.00 0.00 0.71 0.00 0.00 54.79 54.91 1xs8 n ASP 18 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1xs8 n ASP 18 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1xs8 n PHE 19 N -2.03 0.00 -3.74 1.24 7.35 -1.26 -4.86 117.46 114.15 1xs8 n PHE 19 Ca 0.00 0.00 -0.28 0.00 -0.76 0.00 0.00 57.45 56.41 1xs8 n PHE 19 Cb 0.00 0.00 -0.16 0.00 0.35 0.00 0.00 39.48 39.67 1xs8 n PHE 19 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 1xs8 s GLN 20 N 0.22 0.69 0.00 -4.13 -1.52 -1.26 -4.59 119.66 109.07 1xs8 s GLN 20 Ca 0.00 -0.53 0.00 0.00 -1.95 0.00 0.00 55.36 52.88 1xs8 s GLN 20 Cb 0.00 -2.09 0.00 0.00 -0.22 0.00 0.00 33.01 30.70 1xs8 s GLN 20 CO 0.00 -0.69 0.00 1.28 -0.25 0.00 0.00 175.29 175.63 1xs8 n LEU 21 N 5.02 0.00 -0.01 2.90 4.32 -1.26 -4.96 117.00 123.01 1xs8 n LEU 21 Ca -0.08 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.90 1xs8 n LEU 21 Cb 0.46 -0.27 -0.01 0.00 -1.62 0.00 0.00 43.42 41.98 1xs8 n LEU 21 CO 0.13 -0.33 -0.55 0.00 -1.22 0.00 0.00 177.39 175.41 1xs8 n TYR 22 N -2.13 0.00 -2.41 -1.77 4.11 -1.26 -5.07 117.16 108.63 1xs8 n TYR 22 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.90 57.65 1xs8 n TYR 22 Cb 0.00 -0.07 0.11 0.00 -0.00 0.00 0.00 39.34 39.38 1xs8 n TYR 22 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.86 175.61 1xs8 s PRO 23 N -2.04 1.61 0.00 -3.48 0.04 -1.26 -5.11 135.00 124.76 1xs8 s PRO 23 Ca -0.01 -0.84 0.00 0.00 0.04 0.00 0.00 61.00 60.19 1xs8 s PRO 23 Cb 0.00 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1xs8 s PRO 23 CO 0.06 -1.55 0.00 0.41 0.04 0.00 0.00 177.00 175.96 1xs8 n GLY 24 N -2.99 1.30 0.22 0.56 0.00 -1.26 -4.80 105.19 98.22 1xs8 n GLY 24 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 1xs8 n GLY 24 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xs8 h GLU 25 N 0.00 0.70 -0.66 1.61 4.39 -1.99 0.14 114.58 118.77 1xs8 h GLU 25 Ca 0.00 -0.13 -0.07 0.00 0.34 0.00 0.00 59.36 59.50 1xs8 h GLU 25 Cb 0.00 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 1xs8 h GLU 25 CO 0.00 0.65 0.15 1.25 -1.16 0.00 0.00 179.01 179.89 1xs8 h LEU 26 N 0.61 1.00 -0.12 1.33 5.85 -1.99 0.12 115.31 122.11 1xs8 h LEU 26 Ca 0.15 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1xs8 h LEU 26 Cb 0.22 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 1xs8 h LEU 26 CO -0.01 0.98 0.03 1.23 -0.34 0.00 0.00 178.44 180.32 1xs8 h GLY 27 N 1.06 0.21 1.56 3.75 0.00 -1.79 -2.55 103.07 105.31 1xs8 h GLY 27 Ca 0.21 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1xs8 h GLY 27 CO 0.00 0.13 0.18 1.70 0.00 0.00 0.00 176.54 178.55 1xs8 h LYS 28 N -0.02 0.57 -0.68 4.80 3.64 -0.71 0.35 116.57 124.53 1xs8 h LYS 28 Ca 0.04 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1xs8 h LYS 28 Cb 0.27 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 1xs8 h LYS 28 CO 0.00 0.46 0.38 -0.09 -2.27 0.00 0.00 179.45 177.93 1xs8 h ARG 29 N 0.58 0.93 0.12 1.90 2.43 -0.54 -1.97 114.38 117.82 1xs8 h ARG 29 Ca 0.14 -0.09 -0.30 0.00 -0.81 0.00 0.00 59.98 58.92 1xs8 h ARG 29 Cb 0.09 -0.19 0.03 0.00 -0.42 0.00 0.00 29.97 29.48 1xs8 h ARG 29 CO -0.02 0.67 -1.24 0.82 -1.51 0.00 0.00 179.97 178.69 1xs8 h ILE 30 N 0.94 1.28 0.00 1.20 2.04 -0.87 -3.27 117.51 118.83 1xs8 h ILE 30 Ca 0.24 -2.46 -0.01 0.00 1.00 0.00 0.00 64.86 63.63 1xs8 h ILE 30 Cb 0.01 2.68 -0.00 0.00 -0.74 0.00 0.00 36.82 38.77 1xs8 h ILE 30 CO -0.04 0.75 -0.04 1.88 0.00 0.00 0.00 178.15 180.70 1xs8 h TYR 31 N 0.28 0.00 -0.03 1.37 0.05 -0.44 0.00 116.97 118.20 1xs8 h TYR 31 Ca -0.19 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.59 1xs8 h TYR 31 Cb 1.91 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.65 1xs8 h TYR 31 CO 0.11 0.04 0.00 0.27 -1.05 0.00 0.00 178.16 177.54 1xs8 n ASN 32 N -3.49 2.65 -0.08 3.88 2.04 -0.79 -2.16 115.26 117.32 1xs8 n ASN 32 Ca -0.02 -1.82 -0.08 0.00 -0.44 0.00 0.00 54.58 52.21 1xs8 n ASN 32 Cb 0.15 -0.00 -0.11 0.00 -2.53 0.00 0.00 39.78 37.30 1xs8 n ASN 32 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1xs8 n GLU 33 N 1.11 1.36 -4.22 -3.83 -0.58 -0.63 -4.82 120.64 109.04 1xs8 n GLU 33 Ca 0.12 0.02 -0.34 0.00 -0.42 0.00 0.00 57.16 56.53 1xs8 n GLU 33 Cb 0.49 -1.37 -0.08 0.00 -0.57 0.00 0.00 31.44 29.92 1xs8 n GLU 33 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1xs8 s ILE 34 N -2.35 4.57 0.45 -3.67 -1.09 -0.11 -1.30 121.20 117.71 1xs8 s ILE 34 Ca -0.12 -0.27 -0.16 0.00 -2.23 0.00 0.00 60.65 57.88 1xs8 s ILE 34 Cb 0.05 -2.99 -0.08 0.00 -1.58 0.00 0.00 42.46 37.85 1xs8 s ILE 34 CO 0.54 0.51 0.90 -0.55 -1.23 0.00 0.00 174.94 175.11 1xs8 s SER 35 N -1.21 6.68 0.53 3.58 0.15 -1.26 -4.17 113.70 117.99 1xs8 s SER 35 Ca 0.17 1.46 0.28 0.00 0.70 0.00 0.00 55.95 58.56 1xs8 s SER 35 Cb -0.12 -2.46 1.43 0.00 -1.71 0.00 0.00 66.02 63.17 1xs8 s SER 35 CO 0.07 -0.46 1.96 0.11 1.20 0.00 0.00 173.24 176.11 1xs8 h LYS 36 N 1.34 0.00 0.89 5.44 1.57 -1.84 -0.06 116.57 123.92 1xs8 h LYS 36 Ca -0.47 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.26 1xs8 h LYS 36 Cb 1.18 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.50 1xs8 h LYS 36 CO 0.62 0.00 -0.43 -0.44 -0.57 0.00 0.00 179.45 178.64 1xs8 h ASP 37 N 0.00 -1.01 -0.46 0.86 3.32 -1.92 -0.30 116.42 116.90 1xs8 h ASP 37 Ca 0.32 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.36 1xs8 h ASP 37 Cb 1.28 0.26 -0.02 0.00 0.22 0.00 0.00 39.33 41.06 1xs8 h ASP 37 CO -0.00 -0.70 0.15 0.00 -1.72 0.00 0.00 179.24 176.96 1xs8 h ALA 38 N -1.41 1.28 -0.15 3.45 0.00 -1.73 -0.12 119.26 120.58 1xs8 h ALA 38 Ca -0.12 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1xs8 h ALA 38 Cb 0.92 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1xs8 h ALA 38 CO 0.20 0.51 0.10 2.35 0.00 0.00 0.00 179.25 182.41 1xs8 h TRP 39 N 0.76 0.18 -0.14 0.00 2.91 -1.02 -0.09 115.95 118.55 1xs8 h TRP 39 Ca 0.17 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.20 1xs8 h TRP 39 Cb 0.25 -0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 28.83 1xs8 h TRP 39 CO 0.01 0.11 0.09 0.00 -1.03 0.00 0.00 178.44 177.62 1xs8 h ALA 40 N 1.06 0.18 -0.31 2.65 0.00 -0.45 -0.42 119.26 121.97 1xs8 h ALA 40 Ca 0.06 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1xs8 h ALA 40 Cb -0.02 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1xs8 h ALA 40 CO -0.02 -0.32 0.00 1.96 0.00 0.00 0.00 179.25 180.88 1xs8 h GLN 41 N 0.17 0.09 0.30 0.00 4.20 -0.84 0.00 115.11 119.04 1xs8 h GLN 41 Ca 0.05 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1xs8 h GLN 41 Cb 0.01 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1xs8 h GLN 41 CO -0.01 0.06 -0.14 2.35 -0.67 0.00 0.00 178.83 180.42 1xs8 h TRP 42 N 0.09 -0.37 0.00 2.96 -0.00 -0.82 -2.64 115.95 115.17 1xs8 h TRP 42 Ca 0.15 -0.01 -0.08 0.00 -0.00 0.00 0.00 58.89 58.95 1xs8 h TRP 42 Cb 0.20 0.12 -0.01 0.00 -0.00 0.00 0.00 29.16 29.47 1xs8 h TRP 42 CO -0.22 -0.04 -0.38 1.96 -0.00 0.00 0.00 178.44 179.75 1xs8 h GLN 43 N -0.74 0.00 -0.35 2.65 1.08 -1.02 0.27 115.11 116.99 1xs8 h GLN 43 Ca -0.04 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 1xs8 h GLN 43 Cb 0.50 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.91 1xs8 h GLN 43 CO 0.07 0.38 0.15 0.45 -0.95 0.00 0.00 178.83 178.93 1xs8 h HIS 44 N 0.00 0.53 -0.11 2.96 3.86 -1.00 -0.81 115.15 120.57 1xs8 h HIS 44 Ca -0.00 -0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.11 1xs8 h HIS 44 Cb 0.73 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 29.04 1xs8 h HIS 44 CO 0.00 0.47 -0.18 -0.22 0.86 0.00 0.00 177.93 178.86 1xs8 h LYS 45 N 0.43 0.32 0.11 2.45 3.11 -1.00 -2.61 116.57 119.38 1xs8 h LYS 45 Ca 0.12 -0.20 -0.01 0.00 -2.81 0.00 0.00 60.65 57.76 1xs8 h LYS 45 Cb 0.16 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.41 1xs8 h LYS 45 CO -0.01 0.78 -0.05 0.37 -2.81 0.00 0.00 179.45 177.72 1xs8 h GLN 46 N -0.10 -0.14 -0.69 1.90 5.75 -0.48 -0.85 115.11 120.50 1xs8 h GLN 46 Ca 0.01 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.53 1xs8 h GLN 46 Cb 0.75 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.30 1xs8 h GLN 46 CO 0.04 -0.04 0.46 1.15 -2.65 0.00 0.00 178.83 177.79 1xs8 h THR 47 N -0.20 1.16 -0.25 2.39 2.02 -1.23 -0.09 112.91 116.70 1xs8 h THR 47 Ca -0.01 -0.32 0.01 0.00 0.77 0.00 0.00 66.41 66.86 1xs8 h THR 47 Cb 0.16 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 1xs8 h THR 47 CO 0.02 0.17 0.14 -0.03 0.37 0.00 0.00 175.52 176.20 1xs8 h MET 48 N 0.92 0.29 -0.36 6.66 1.85 -1.04 -2.29 114.93 120.95 1xs8 h MET 48 Ca 0.26 -0.02 -0.09 0.00 -0.61 0.00 0.00 59.70 59.24 1xs8 h MET 48 Cb -0.08 -0.07 -0.02 0.00 0.43 0.00 0.00 31.60 31.87 1xs8 h MET 48 CO -0.06 0.19 -0.13 -0.07 -0.40 0.00 0.00 176.91 176.44 1xs8 h LEU 49 N 0.30 0.64 -0.98 3.39 3.38 -0.12 0.94 115.31 122.86 1xs8 h LEU 49 Ca 0.10 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1xs8 h LEU 49 Cb -0.00 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1xs8 h LEU 49 CO -0.05 0.80 0.41 0.40 0.09 0.00 0.00 178.44 180.09 1xs8 h ILE 50 N 0.59 1.24 0.12 1.22 2.04 -0.83 0.70 117.51 122.59 1xs8 h ILE 50 Ca 0.10 -0.65 -0.27 0.00 1.00 0.00 0.00 64.86 65.04 1xs8 h ILE 50 Cb 0.57 0.19 0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1xs8 h ILE 50 CO 0.04 0.28 -1.21 0.78 0.00 0.00 0.00 178.15 178.04 1xs8 h ASN 51 N 1.13 0.51 0.48 1.72 2.35 -1.03 -0.74 115.58 120.00 1xs8 h ASN 51 Ca 0.28 -0.51 -0.02 0.00 -0.55 0.00 0.00 56.30 55.49 1xs8 h ASN 51 Cb 0.08 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.29 1xs8 h ASN 51 CO -0.04 1.38 -0.23 -0.08 -1.65 0.00 0.00 177.43 176.81 1xs8 h GLU 52 N 0.12 -0.62 -0.01 0.81 4.81 -0.55 -3.20 114.58 115.94 1xs8 h GLU 52 Ca -0.14 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1xs8 h GLU 52 Cb 1.91 0.14 0.00 0.00 0.63 0.00 0.00 28.75 31.43 1xs8 h GLU 52 CO 0.21 -0.37 -0.08 1.63 -0.73 0.00 0.00 179.01 179.67 1xs8 n LYS 53 N -5.33 1.42 -3.66 1.92 5.02 0.22 -4.94 118.16 112.81 1xs8 n LYS 53 Ca -0.11 -0.84 -0.23 0.00 -2.02 0.00 0.00 58.31 55.11 1xs8 n LYS 53 Cb 0.29 -1.48 0.05 0.00 -0.02 0.00 0.00 35.03 33.87 1xs8 n LYS 53 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xs8 n LYS 54 N -0.06 -6.04 -1.97 1.97 4.76 -0.37 -4.87 118.16 111.57 1xs8 n LYS 54 Ca 0.17 0.71 -0.43 0.00 -2.87 0.00 0.00 58.31 55.89 1xs8 n LYS 54 Cb 0.36 -5.55 -0.03 0.00 -1.84 0.00 0.00 35.03 27.97 1xs8 n LYS 54 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1xs8 s LEU 55 N -6.84 4.08 0.11 -0.35 1.43 -0.68 -4.98 118.68 111.45 1xs8 s LEU 55 Ca 0.25 2.01 -0.21 0.00 -1.03 0.00 0.00 54.13 55.15 1xs8 s LEU 55 Cb -0.12 -3.53 -0.07 0.00 0.03 0.00 0.00 46.19 42.50 1xs8 s LEU 55 CO 0.78 -1.17 0.64 0.54 0.23 0.00 0.00 176.35 177.37 1xs8 s ASN 56 N 4.29 7.16 -0.10 2.29 2.20 -1.26 -4.96 114.94 124.56 1xs8 s ASN 56 Ca 0.77 1.38 0.18 0.00 -0.94 0.00 0.00 52.86 54.25 1xs8 s ASN 56 Cb -0.31 -2.40 0.69 0.00 -2.00 0.00 0.00 41.25 37.23 1xs8 s ASN 56 CO 0.31 0.24 1.59 0.23 -2.94 0.00 0.00 177.10 176.54 1xs8 n MET 57 N 1.62 3.55 0.12 3.55 2.81 -1.26 -4.17 117.12 123.34 1xs8 n MET 57 Ca -0.08 -2.73 -0.24 0.00 -1.81 0.00 0.00 57.70 52.84 1xs8 n MET 57 Cb 0.50 -1.85 -0.14 0.00 -0.71 0.00 0.00 33.22 31.02 1xs8 n MET 57 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1xs8 h MET 58 N 3.96 0.59 -6.41 0.03 2.86 -1.98 -3.44 114.93 110.54 1xs8 h MET 58 Ca 0.00 -0.89 -0.54 0.00 -2.06 0.00 0.00 59.70 56.21 1xs8 h MET 58 Cb 1.37 0.31 -0.04 0.00 0.06 0.00 0.00 31.60 33.30 1xs8 h MET 58 CO 0.21 1.41 0.07 -0.80 1.06 0.00 0.00 176.91 178.87 1xs8 s ASN 59 N -7.51 7.18 0.59 1.22 -0.87 -1.26 -4.95 114.94 109.34 1xs8 s ASN 59 Ca -0.09 1.44 0.30 0.00 -1.57 0.00 0.00 52.86 52.93 1xs8 s ASN 59 Cb 0.05 -2.42 1.82 0.00 -0.02 0.00 0.00 41.25 40.67 1xs8 s ASN 59 CO 0.94 0.20 2.25 0.00 -2.57 0.00 0.00 177.10 177.92 1xs8 h ALA 60 N 4.21 1.50 -0.20 0.60 0.00 -1.91 -3.00 119.26 120.46 1xs8 h ALA 60 Ca -0.48 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.45 1xs8 h ALA 60 Cb 1.21 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 1xs8 h ALA 60 CO 0.65 0.01 -0.44 0.93 0.00 0.00 0.00 179.25 180.40 1xs8 h GLU 61 N 0.00 -0.39 0.00 0.00 5.08 -1.92 -0.86 114.58 116.49 1xs8 h GLU 61 Ca -0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1xs8 h GLU 61 Cb 0.02 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1xs8 h GLU 61 CO 0.00 -0.26 -0.50 0.45 -1.00 0.00 0.00 179.01 177.70 1xs8 h HIS 62 N -0.40 0.00 0.39 4.33 3.86 -1.72 -1.92 115.15 119.69 1xs8 h HIS 62 Ca 0.04 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 1xs8 h HIS 62 Cb 0.51 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1xs8 h HIS 62 CO -0.62 0.00 -0.19 -0.09 0.86 0.00 0.00 177.93 177.89 1xs8 h ARG 63 N 0.00 -0.50 0.00 2.45 9.65 -1.38 -2.57 114.38 122.03 1xs8 h ARG 63 Ca 0.00 0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.91 1xs8 h ARG 63 Cb 0.93 0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.63 1xs8 h ARG 63 CO 0.00 -0.20 -0.04 1.57 2.80 0.00 0.00 179.97 184.10 1xs8 h LYS 64 N -0.97 0.00 -0.09 0.20 2.10 -1.24 -2.19 116.57 114.37 1xs8 h LYS 64 Ca -0.05 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.63 1xs8 h LYS 64 Cb 0.54 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.83 1xs8 h LYS 64 CO 0.09 0.04 -0.14 1.25 -2.00 0.00 0.00 179.45 178.69 1xs8 h LEU 65 N 0.00 -0.44 -0.39 7.07 5.85 -1.25 0.22 115.31 126.38 1xs8 h LEU 65 Ca -0.00 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1xs8 h LEU 65 Cb 0.44 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1xs8 h LEU 65 CO 0.01 -0.19 0.25 0.25 -0.34 0.00 0.00 178.44 178.41 1xs8 h LEU 66 N -0.19 0.42 -0.01 2.25 6.46 -0.98 0.87 115.31 124.13 1xs8 h LEU 66 Ca 0.08 -0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.86 1xs8 h LEU 66 Cb 0.31 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.09 1xs8 h LEU 66 CO -0.20 0.30 -0.23 -0.33 -0.62 0.00 0.00 178.44 177.36 1xs8 h GLU 67 N 0.51 -0.35 -0.12 1.25 3.07 -1.28 0.13 114.58 117.79 1xs8 h GLU 67 Ca 0.15 0.02 0.02 0.00 -0.50 0.00 0.00 59.36 59.05 1xs8 h GLU 67 Cb -0.04 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 1xs8 h GLU 67 CO -0.05 -0.23 -0.00 1.96 -1.40 0.00 0.00 179.01 179.29 1xs8 h GLN 68 N -0.36 0.04 -0.66 2.33 4.20 -0.13 -0.59 115.11 119.94 1xs8 h GLN 68 Ca 0.06 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 1xs8 h GLN 68 Cb 0.45 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 1xs8 h GLN 68 CO -0.22 0.03 0.41 0.93 -0.67 0.00 0.00 178.83 179.30 1xs8 h GLU 69 N 0.04 0.88 0.23 1.46 5.08 -0.64 -1.23 114.58 120.40 1xs8 h GLU 69 Ca 0.06 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1xs8 h GLU 69 Cb 0.07 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1xs8 h GLU 69 CO -0.10 0.62 -0.11 1.98 -1.00 0.00 0.00 179.01 180.40 1xs8 h MET 70 N 0.89 -0.30 -0.43 2.33 4.05 -0.34 -2.21 114.93 118.93 1xs8 h MET 70 Ca 0.24 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.66 1xs8 h MET 70 Cb -0.05 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.80 1xs8 h MET 70 CO -0.05 -0.19 0.21 0.28 0.23 0.00 0.00 176.91 177.39 1xs8 h VAL 71 N -0.31 1.15 -0.53 -5.77 2.07 -0.97 0.51 116.25 112.41 1xs8 h VAL 71 Ca -0.03 -0.41 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 1xs8 h VAL 71 Cb 0.24 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1xs8 h VAL 71 CO 0.05 0.17 0.02 0.28 0.02 0.00 0.00 177.57 178.11 1xs8 h SER 72 N 0.60 0.84 0.03 0.57 0.02 -0.82 0.50 113.55 115.29 1xs8 h SER 72 Ca 0.15 -0.21 -0.32 0.00 -0.84 0.00 0.00 61.79 60.58 1xs8 h SER 72 Cb 0.06 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.34 1xs8 h SER 72 CO -0.02 0.90 -1.74 0.33 -1.14 0.00 0.00 176.83 175.15 1xs8 n PHE 73 N -4.21 0.80 -0.02 3.45 7.35 -0.87 -3.41 117.46 120.56 1xs8 n PHE 73 Ca 0.03 0.29 -0.17 0.00 -0.76 0.00 0.00 57.45 56.84 1xs8 n PHE 73 Cb 0.30 -1.09 -0.14 0.00 0.35 0.00 0.00 39.48 38.91 1xs8 n PHE 73 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1xs8 h LEU 74 N -0.72 0.21 0.10 -2.13 3.38 -1.03 -3.39 115.31 111.73 1xs8 h LEU 74 Ca -0.45 -0.96 -0.32 0.00 0.09 0.00 0.00 57.88 56.24 1xs8 h LEU 74 Cb 1.55 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.22 1xs8 h LEU 74 CO -0.19 1.21 -1.71 0.15 0.09 0.00 0.00 178.44 177.99 1xs8 h PHE 75 N -0.71 0.38 -5.06 1.13 3.57 -1.58 -3.40 116.94 111.28 1xs8 h PHE 75 Ca -0.08 -0.28 0.00 0.00 3.53 0.00 0.00 57.97 61.14 1xs8 h PHE 75 Cb 1.31 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 40.03 1xs8 h PHE 75 CO 0.23 1.67 -0.98 -1.91 -2.23 0.00 0.00 178.31 175.09 1xs8 n GLU 76 N -3.79 -3.44 0.00 1.11 2.13 0.17 -4.91 120.64 111.91 1xs8 n GLU 76 Ca -0.30 2.76 0.00 0.00 0.66 0.00 0.00 57.16 60.27 1xs8 n GLU 76 Cb 0.94 -5.25 0.00 0.00 0.27 0.00 0.00 31.44 27.40 1xs8 n GLU 76 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xs8 n GLY 77 N 0.71 0.00 3.86 8.31 0.00 -1.26 -5.04 105.19 111.78 1xs8 n GLY 77 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1xs8 n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xs8 s LYS 78 N 0.00 3.56 -0.06 1.61 0.00 -1.26 -4.98 119.74 118.61 1xs8 s LYS 78 Ca 0.00 -0.06 0.09 0.00 0.00 0.00 0.00 55.97 56.00 1xs8 s LYS 78 Cb 0.00 -3.21 -0.24 0.00 0.00 0.00 0.00 37.83 34.38 1xs8 s LYS 78 CO 0.00 0.73 0.59 -0.25 0.00 0.00 0.00 175.35 176.42 1xs8 n ASP 79 N 2.08 1.12 -4.60 0.03 9.92 -1.26 -4.85 116.55 119.00 1xs8 n ASP 79 Ca -0.19 0.37 -0.43 0.00 -0.53 0.00 0.00 54.79 54.01 1xs8 n ASP 79 Cb 0.54 -0.21 -0.02 0.00 -0.64 0.00 0.00 41.12 40.78 1xs8 n ASP 79 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1xs8 s VAL 80 N -2.59 3.65 0.42 2.53 1.01 -1.26 -4.98 120.40 119.19 1xs8 s VAL 80 Ca -0.08 0.67 -0.23 0.00 0.00 0.00 0.00 61.98 62.34 1xs8 s VAL 80 Cb 0.08 -3.85 -0.09 0.00 0.00 0.00 0.00 36.38 32.52 1xs8 s VAL 80 CO 0.81 -0.52 1.02 -1.00 0.00 0.00 0.00 175.10 175.42 1xs8 s HIS 81 N 6.18 3.22 -0.88 5.22 3.76 -1.26 -4.97 115.29 126.56 1xs8 s HIS 81 Ca 0.72 1.63 -0.17 0.00 -0.15 0.00 0.00 55.06 57.10 1xs8 s HIS 81 Cb -0.20 -3.05 0.17 0.00 1.11 0.00 0.00 32.58 30.61 1xs8 s HIS 81 CO 0.33 -0.55 0.97 0.42 -0.85 0.00 0.00 174.74 175.05 1xs8 s ILE 82 N -1.83 5.11 -1.70 0.60 1.01 -1.26 -4.49 121.20 118.64 1xs8 s ILE 82 Ca 0.61 -1.95 0.00 0.00 0.00 0.00 0.00 60.65 59.30 1xs8 s ILE 82 Cb -0.18 -4.64 0.00 0.00 0.01 0.00 0.00 42.46 37.65 1xs8 s ILE 82 CO 0.23 -1.30 0.00 1.21 0.00 0.00 0.00 174.94 175.08 1xs8 n GLU 83 N 5.43 -1.51 0.04 2.79 2.13 -1.26 -4.84 120.64 123.43 1xs8 n GLU 83 Ca 0.19 1.02 -0.05 0.00 0.66 0.00 0.00 57.16 58.98 1xs8 n GLU 83 Cb 0.48 -5.37 -0.03 0.00 0.27 0.00 0.00 31.44 26.80 1xs8 n GLU 83 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1xs8 h GLY 84 N 0.00 -0.23 -4.45 8.31 0.00 -2.01 -3.46 103.07 101.24 1xs8 h GLY 84 Ca -0.33 0.08 -0.66 0.00 0.00 0.00 0.00 47.33 46.42 1xs8 h GLY 84 CO 0.48 -0.08 -0.87 -0.19 0.00 0.00 0.00 176.54 175.88 1xs8 s TYR 85 N -2.39 2.17 -0.25 5.60 2.02 -1.26 -5.12 117.35 118.12 1xs8 s TYR 85 Ca -0.05 -0.40 -0.01 0.00 -0.37 0.00 0.00 57.07 56.24 1xs8 s TYR 85 Cb 0.00 -1.32 0.07 0.00 -0.40 0.00 0.00 41.96 40.31 1xs8 s TYR 85 CO 0.16 0.08 0.02 0.99 -1.57 0.00 0.00 175.55 175.22 1xs8 s THR 86 N -0.74 1.08 0.51 -0.71 2.01 -1.26 -5.00 115.64 111.54 1xs8 s THR 86 Ca 0.10 -1.12 -0.21 0.00 0.31 0.00 0.00 61.69 60.77 1xs8 s THR 86 Cb -0.10 -1.57 -0.06 0.00 0.01 0.00 0.00 72.50 70.78 1xs8 s THR 86 CO 0.01 -0.31 1.15 -2.84 -0.69 0.00 0.00 174.62 171.94 1xs8 s PRO 87 N 1.57 3.48 -1.34 4.92 0.02 -1.26 -4.93 135.00 137.46 1xs8 s PRO 87 Ca 0.01 1.69 -0.15 0.00 0.02 0.00 0.00 61.00 62.56 1xs8 s PRO 87 Cb -0.18 -2.15 0.08 0.00 0.02 0.00 0.00 34.50 32.27 1xs8 s PRO 87 CO -0.12 -0.76 1.89 0.39 -0.33 0.00 0.00 177.00 178.07 1xs8 n GLU 88 N -1.01 3.14 -3.20 5.54 -0.58 -1.26 -4.68 120.64 118.59 1xs8 n GLU 88 Ca 0.10 -3.13 0.00 0.00 -0.42 0.00 0.00 57.16 53.71 1xs8 n GLU 88 Cb 0.50 -3.32 -0.02 0.00 -0.57 0.00 0.00 31.44 28.03 1xs8 n GLU 88 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1xs8 s ASP 89 N 3.41 -1.12 -0.64 1.62 2.15 -1.26 -5.10 116.67 115.74 1xs8 s ASP 89 Ca 0.49 -0.12 -0.26 0.00 0.43 0.00 0.00 52.55 53.08 1xs8 s ASP 89 Cb 0.07 1.79 -0.02 0.00 -0.30 0.00 0.00 42.92 44.46 1xs8 s ASP 89 CO 0.01 -0.29 1.87 -0.54 -0.17 0.00 0.00 175.17 176.04 1xs8 s LYS 90 N 2.59 2.62 0.00 4.34 3.01 -1.26 -5.21 119.74 125.82 1xs8 s LYS 90 Ca 0.11 0.54 0.27 0.00 -1.01 0.00 0.00 55.97 55.87 1xs8 s LYS 90 Cb -0.10 -4.44 0.75 0.00 -1.01 0.00 0.00 37.83 33.02 1xs8 s LYS 90 CO -0.24 -2.79 1.57 1.17 0.51 0.00 0.00 175.35 175.58