#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xs8 s SER 2 N 0.00 5.92 -0.49 3.17 0.01 -1.26 -4.94 113.70 116.11 1xs8 s SER 2 Ca 0.00 0.40 0.03 0.00 1.31 0.00 0.00 55.95 57.69 1xs8 s SER 2 Cb 0.00 -2.54 0.13 0.00 0.21 0.00 0.00 66.02 63.82 1xs8 s SER 2 CO 0.00 -1.85 0.24 -0.60 0.41 0.00 0.00 173.24 171.44 1xs8 s ARG 3 N 5.85 1.96 -0.43 12.44 6.06 -1.26 -5.07 118.95 138.50 1xs8 s ARG 3 Ca 0.58 -2.44 -0.22 0.00 -2.50 0.00 0.00 55.73 51.16 1xs8 s ARG 3 Cb -0.13 -3.36 0.02 0.00 0.06 0.00 0.00 34.95 31.55 1xs8 s ARG 3 CO 0.25 -1.08 0.70 0.95 -2.50 0.00 0.00 175.30 173.62 1xs8 s THR 4 N 0.02 4.76 0.19 4.11 -4.23 -1.26 -2.38 115.64 116.86 1xs8 s THR 4 Ca 0.15 0.32 0.05 0.00 -1.18 0.00 0.00 61.69 61.04 1xs8 s THR 4 Cb -0.24 -4.24 -0.04 0.00 1.34 0.00 0.00 72.50 69.33 1xs8 s THR 4 CO -0.02 -0.61 0.17 0.27 -0.54 0.00 0.00 174.62 173.89 1xs8 s ILE 5 N 3.00 4.55 -0.60 2.99 -4.36 0.46 -4.89 121.20 122.36 1xs8 s ILE 5 Ca 0.26 -1.15 -0.06 0.00 -0.26 0.00 0.00 60.65 59.44 1xs8 s ILE 5 Cb -0.13 -3.37 0.16 0.00 1.25 0.00 0.00 42.46 40.36 1xs8 s ILE 5 CO 0.20 -0.19 0.45 -0.36 0.24 0.00 0.00 174.94 175.28 1xs8 s PHE 6 N -1.87 3.50 0.32 1.37 0.08 -1.26 -0.48 117.98 119.63 1xs8 s PHE 6 Ca 0.32 -2.36 -0.29 0.00 0.12 0.00 0.00 56.93 54.72 1xs8 s PHE 6 Cb -0.09 -3.38 -0.12 0.00 -0.57 0.00 0.00 43.02 38.85 1xs8 s PHE 6 CO 0.24 -0.92 1.44 0.00 -0.10 0.00 0.00 175.22 175.88 1xs8 h THR 8 N 2.94 1.26 -0.20 0.00 1.35 -1.51 0.74 112.91 117.50 1xs8 h THR 8 Ca -0.47 -1.01 -0.18 0.00 -0.55 0.00 0.00 66.41 64.20 1xs8 h THR 8 Cb 1.26 0.67 -0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1xs8 h THR 8 CO 0.70 0.38 -0.62 0.22 -0.25 0.00 0.00 175.52 175.94 1xs8 h TYR 9 N 0.97 0.88 0.04 4.73 3.20 -1.79 -3.33 116.97 121.67 1xs8 h TYR 9 Ca 0.20 -0.34 -0.33 0.00 3.14 0.00 0.00 58.73 61.40 1xs8 h TYR 9 Cb 0.42 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 1xs8 h TYR 9 CO 0.03 1.13 -1.95 1.28 -1.64 0.00 0.00 178.16 177.01 1xs8 n LEU 10 N -3.95 1.44 -2.81 2.82 4.77 -1.16 -4.97 117.00 113.14 1xs8 n LEU 10 Ca -0.05 0.25 -0.22 0.00 -0.03 0.00 0.00 56.01 55.97 1xs8 n LEU 10 Cb 0.65 -0.25 0.02 0.00 -2.33 0.00 0.00 43.42 41.51 1xs8 n LEU 10 CO 0.49 0.59 -0.09 0.00 -1.33 0.00 0.00 177.39 177.05 1xs8 n GLN 11 N -3.15 -3.84 -4.33 3.23 1.13 0.26 -4.98 117.38 105.69 1xs8 n GLN 11 Ca -0.26 0.95 -0.18 0.00 -1.94 0.00 0.00 57.00 55.57 1xs8 n GLN 11 Cb 1.06 -5.76 -0.09 0.00 0.11 0.00 0.00 30.24 25.56 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 -5.48 1.55 -0.04 -1.09 0.52 -1.26 -4.93 118.95 108.22 1xs8 s ARG 12 Ca 0.20 -1.88 -0.28 0.00 -0.52 0.00 0.00 55.73 53.26 1xs8 s ARG 12 Cb -0.09 -0.13 -0.03 0.00 0.52 0.00 0.00 34.95 35.22 1xs8 s ARG 12 CO 0.25 -0.42 0.88 0.16 0.02 0.00 0.00 175.30 176.19 1xs8 s ASP 13 N -3.36 7.21 0.34 0.23 -4.77 -1.26 -2.74 116.67 112.32 1xs8 s ASP 13 Ca 0.36 1.47 0.07 0.00 -3.30 0.00 0.00 52.55 51.15 1xs8 s ASP 13 Cb 0.06 -2.51 -0.03 0.00 -1.09 0.00 0.00 42.92 39.35 1xs8 s ASP 13 CO 0.17 -0.24 0.29 0.00 0.70 0.00 0.00 175.17 176.09 1xs8 s ALA 14 N 1.09 1.87 -0.20 2.11 0.00 0.37 -4.94 121.76 122.05 1xs8 s ALA 14 Ca 0.46 -2.08 -0.12 0.00 0.00 0.00 0.00 51.96 50.22 1xs8 s ALA 14 Cb -0.19 1.48 -0.05 0.00 0.00 0.00 0.00 23.12 24.36 1xs8 s ALA 14 CO 0.23 -0.67 0.22 -2.00 0.00 0.00 0.00 175.76 173.54 1xs8 s GLU 15 N -3.40 4.17 0.52 0.00 2.12 -1.26 -0.40 118.70 120.45 1xs8 s GLU 15 Ca 0.41 -0.10 -0.23 0.00 0.36 0.00 0.00 54.97 55.42 1xs8 s GLU 15 Cb 0.02 -3.47 -0.06 0.00 0.26 0.00 0.00 34.13 30.88 1xs8 s GLU 15 CO 0.28 0.17 1.35 0.20 -0.54 0.00 0.00 175.26 176.72 1xs8 s GLY 16 N 0.68 2.88 0.07 -1.50 0.00 -1.00 -4.12 107.32 104.32 1xs8 s GLY 16 Ca 0.12 1.31 -0.31 0.00 0.00 0.00 0.00 44.72 45.84 1xs8 s GLY 16 CO 0.03 1.84 1.73 1.62 0.00 0.00 0.00 173.10 178.31 1xs8 s GLN 17 N -2.79 4.18 -0.31 2.90 -0.44 -1.12 -4.91 119.66 117.16 1xs8 s GLN 17 Ca 0.69 2.41 -0.26 0.00 -2.50 0.00 0.00 55.36 55.69 1xs8 s GLN 17 Cb -0.40 -3.69 0.01 0.00 -1.64 0.00 0.00 33.01 27.29 1xs8 s GLN 17 CO 0.48 -0.79 0.94 0.16 0.50 0.00 0.00 175.29 176.57 1xs8 s ASP 18 N 2.78 6.81 0.07 6.67 -4.77 -1.26 -4.73 116.67 122.23 1xs8 s ASP 18 Ca 0.77 0.88 0.00 0.00 -3.30 0.00 0.00 52.55 50.90 1xs8 s ASP 18 Cb -0.41 -2.48 0.00 0.00 -1.09 0.00 0.00 42.92 38.94 1xs8 s ASP 18 CO 0.34 -0.75 0.00 0.49 0.70 0.00 0.00 175.17 175.95 1xs8 n PHE 19 N 6.54 -2.50 -1.57 2.11 3.72 -1.26 -4.82 117.46 119.68 1xs8 n PHE 19 Ca 0.08 1.50 -0.46 0.00 -0.05 0.00 0.00 57.45 58.52 1xs8 n PHE 19 Cb 0.47 -2.90 -0.04 0.00 -0.94 0.00 0.00 39.48 36.07 1xs8 n PHE 19 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1xs8 n GLN 20 N 0.95 1.82 0.02 -1.08 6.02 -1.26 -4.84 117.38 119.01 1xs8 n GLN 20 Ca 0.00 0.55 -0.15 0.00 -0.01 0.00 0.00 57.00 57.39 1xs8 n GLN 20 Cb 0.00 -2.90 -0.04 0.00 1.02 0.00 0.00 30.24 28.32 1xs8 n GLN 20 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1xs8 h LEU 21 N 12.98 0.75 0.00 1.08 4.07 -1.98 -3.45 115.31 128.75 1xs8 h LEU 21 Ca -0.39 -0.52 0.00 0.00 0.08 0.00 0.00 57.88 57.05 1xs8 h LEU 21 Cb 1.27 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.79 1xs8 h LEU 21 CO 0.97 1.30 0.00 0.00 -1.08 0.00 0.00 178.44 179.63 1xs8 n TYR 22 N -3.87 -2.15 -2.04 1.13 9.36 -1.26 -5.12 117.16 113.20 1xs8 n TYR 22 Ca -0.07 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.74 1xs8 n TYR 22 Cb 0.76 0.43 -0.02 0.00 -0.63 0.00 0.00 39.34 39.88 1xs8 n TYR 22 CO 0.00 0.00 0.00 -2.14 0.22 0.00 0.00 176.86 174.94 1xs8 s PRO 23 N -1.90 4.29 0.00 2.98 0.02 -1.26 -4.99 135.00 134.13 1xs8 s PRO 23 Ca 0.00 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.28 1xs8 s PRO 23 Cb 0.00 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.40 1xs8 s PRO 23 CO 0.00 -0.39 0.00 0.41 -0.33 0.00 0.00 177.00 176.69 1xs8 n GLY 24 N 2.22 0.51 0.16 0.52 0.00 -1.26 -3.83 105.19 103.51 1xs8 n GLY 24 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 1xs8 n GLY 24 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xs8 h GLU 25 N 0.00 -0.22 -0.59 1.61 4.81 -2.00 -1.27 114.58 116.92 1xs8 h GLU 25 Ca 0.00 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1xs8 h GLU 25 Cb 0.00 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 1xs8 h GLU 25 CO 0.00 -0.15 0.23 1.25 -0.73 0.00 0.00 179.01 179.61 1xs8 h LEU 26 N -0.23 0.78 0.46 1.64 5.85 -1.99 -2.49 115.31 119.33 1xs8 h LEU 26 Ca 0.03 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 1xs8 h LEU 26 Cb 0.26 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 1xs8 h LEU 26 CO -0.08 0.71 -0.29 1.23 -0.34 0.00 0.00 178.44 179.67 1xs8 h GLY 27 N 0.96 -0.90 2.00 3.75 0.00 -1.42 -2.49 103.07 104.97 1xs8 h GLY 27 Ca 0.20 0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.85 1xs8 h GLY 27 CO -0.02 -0.31 -0.25 0.07 0.00 0.00 0.00 176.54 176.03 1xs8 h LYS 28 N -0.70 0.00 -0.71 4.80 2.10 -1.31 0.21 116.57 120.95 1xs8 h LYS 28 Ca -0.06 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.60 1xs8 h LYS 28 Cb 0.56 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.86 1xs8 h LYS 28 CO 0.06 0.25 0.47 -0.09 -2.00 0.00 0.00 179.45 178.14 1xs8 h ARG 29 N 0.00 0.92 0.02 0.07 2.43 -1.32 -2.26 114.38 114.24 1xs8 h ARG 29 Ca -0.00 -0.06 -0.29 0.00 -0.81 0.00 0.00 59.98 58.82 1xs8 h ARG 29 Cb 0.52 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.83 1xs8 h ARG 29 CO 0.03 0.61 -1.60 -0.89 -1.51 0.00 0.00 179.97 176.61 1xs8 n ILE 30 N -4.43 1.58 0.29 1.20 5.41 -0.67 -4.40 119.36 118.34 1xs8 n ILE 30 Ca 0.08 -0.20 0.18 0.00 1.00 0.00 0.00 62.75 63.81 1xs8 n ILE 30 Cb 0.05 -1.95 0.89 0.00 -0.71 0.00 0.00 39.64 37.92 1xs8 n ILE 30 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 1xs8 h TYR 31 N -0.78 0.00 0.00 1.39 0.05 -0.62 0.20 116.97 117.21 1xs8 h TYR 31 Ca -0.42 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.36 1xs8 h TYR 31 Cb 1.49 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.23 1xs8 h TYR 31 CO 0.07 0.00 -0.45 0.27 -1.05 0.00 0.00 178.16 177.00 1xs8 n ASN 32 N -2.82 0.48 -0.01 3.88 0.23 -0.85 -2.81 115.26 113.36 1xs8 n ASN 32 Ca -0.01 -0.02 0.00 0.00 -0.53 0.00 0.00 54.58 54.02 1xs8 n ASN 32 Cb 0.13 0.09 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 1xs8 n ASN 32 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1xs8 n GLU 33 N -1.68 1.42 -4.03 -3.83 1.02 -0.10 -4.68 120.64 108.76 1xs8 n GLU 33 Ca 0.05 -1.03 -0.21 0.00 -0.02 0.00 0.00 57.16 55.96 1xs8 n GLU 33 Cb 0.37 -0.76 -0.17 0.00 -0.02 0.00 0.00 31.44 30.86 1xs8 n GLU 33 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xs8 s ILE 34 N -0.53 0.47 0.67 -3.67 -1.09 0.53 -1.39 121.20 116.18 1xs8 s ILE 34 Ca 0.01 -0.04 -0.14 0.00 -2.23 0.00 0.00 60.65 58.24 1xs8 s ILE 34 Cb 0.01 -0.54 0.00 0.00 -1.58 0.00 0.00 42.46 40.36 1xs8 s ILE 34 CO 0.00 0.23 1.10 -0.55 -1.23 0.00 0.00 174.94 174.49 1xs8 s SER 35 N 1.23 5.09 0.40 3.58 0.15 -1.26 -4.29 113.70 118.60 1xs8 s SER 35 Ca -0.06 1.96 0.07 0.00 0.70 0.00 0.00 55.95 58.61 1xs8 s SER 35 Cb -0.14 -2.55 0.83 0.00 -1.71 0.00 0.00 66.02 62.46 1xs8 s SER 35 CO -0.02 -1.64 2.05 0.11 1.20 0.00 0.00 173.24 174.95 1xs8 h LYS 36 N -0.09 0.57 -0.20 5.44 1.57 -1.92 -0.89 116.57 121.06 1xs8 h LYS 36 Ca -0.46 -0.03 -0.21 0.00 -1.87 0.00 0.00 60.65 58.07 1xs8 h LYS 36 Cb 1.24 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 33.43 1xs8 h LYS 36 CO 0.54 0.38 -0.69 0.38 -0.57 0.00 0.00 179.45 179.49 1xs8 h ASP 37 N 0.59 0.96 -0.65 0.86 2.03 -1.93 -0.95 116.42 117.33 1xs8 h ASP 37 Ca 0.16 -0.58 -0.09 0.00 -0.73 0.00 0.00 57.03 55.79 1xs8 h ASP 37 Cb -0.07 -0.28 -0.02 0.00 -0.83 0.00 0.00 39.33 38.13 1xs8 h ASP 37 CO -0.03 1.38 0.07 0.00 -1.03 0.00 0.00 179.24 179.63 1xs8 h ALA 38 N 0.61 0.87 -0.24 4.15 0.00 -1.76 0.79 119.26 123.67 1xs8 h ALA 38 Ca -0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1xs8 h ALA 38 Cb 1.31 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1xs8 h ALA 38 CO 0.15 0.66 0.13 2.35 0.00 0.00 0.00 179.25 182.54 1xs8 h TRP 39 N 1.02 0.34 -0.60 0.00 2.91 -1.13 -2.50 115.95 116.00 1xs8 h TRP 39 Ca 0.19 -0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.16 1xs8 h TRP 39 Cb 0.49 -0.11 -0.03 0.00 -0.51 0.00 0.00 29.16 29.01 1xs8 h TRP 39 CO 0.04 0.31 0.21 0.00 -1.03 0.00 0.00 178.44 177.96 1xs8 h ALA 40 N 1.00 0.78 -0.87 2.65 0.00 -0.86 -2.17 119.26 119.78 1xs8 h ALA 40 Ca 0.08 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1xs8 h ALA 40 Cb 0.09 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 1xs8 h ALA 40 CO -0.01 0.42 0.57 1.96 0.00 0.00 0.00 179.25 182.19 1xs8 h GLN 41 N 0.84 1.08 -0.38 0.00 1.08 -0.76 -1.27 115.11 115.70 1xs8 h GLN 41 Ca 0.19 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.25 1xs8 h GLN 41 Cb 0.25 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 1xs8 h GLN 41 CO -0.01 0.71 -0.09 2.35 -0.95 0.00 0.00 178.83 180.84 1xs8 h TRP 42 N 1.11 0.83 -0.67 2.96 -0.00 -1.18 -2.74 115.95 116.26 1xs8 h TRP 42 Ca 0.34 -0.18 0.02 0.00 -0.00 0.00 0.00 58.89 59.08 1xs8 h TRP 42 Cb -0.02 -0.20 -0.04 0.00 -0.00 0.00 0.00 29.16 28.90 1xs8 h TRP 42 CO -0.02 0.87 0.44 1.96 -0.00 0.00 0.00 178.44 181.70 1xs8 h GLN 43 N 0.54 0.83 0.06 2.65 4.20 -0.93 0.26 115.11 122.71 1xs8 h GLN 43 Ca 0.10 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1xs8 h GLN 43 Cb 0.61 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 1xs8 h GLN 43 CO 0.04 0.55 -0.07 1.25 -0.67 0.00 0.00 178.83 179.93 1xs8 h HIS 44 N 0.85 -0.18 -0.32 2.96 2.76 -1.03 -0.54 115.15 119.66 1xs8 h HIS 44 Ca 0.26 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 58.28 1xs8 h HIS 44 Cb -0.01 0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.01 1xs8 h HIS 44 CO -0.00 -0.11 -0.41 -0.22 -1.30 0.00 0.00 177.93 175.89 1xs8 h LYS 45 N -0.15 0.77 -0.80 5.26 1.63 -1.11 -2.01 116.57 120.17 1xs8 h LYS 45 Ca 0.01 -0.41 -0.02 0.00 -0.85 0.00 0.00 60.65 59.38 1xs8 h LYS 45 Cb 0.15 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 31.76 1xs8 h LYS 45 CO -0.03 1.04 0.42 0.37 -3.45 0.00 0.00 179.45 177.80 1xs8 h GLN 46 N 0.63 1.12 -0.39 1.90 5.75 -0.35 0.12 115.11 123.89 1xs8 h GLN 46 Ca 0.05 -0.14 -0.12 0.00 -0.15 0.00 0.00 58.65 58.28 1xs8 h GLN 46 Cb 0.97 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 29.29 1xs8 h GLN 46 CO 0.09 0.84 -0.25 1.15 -2.65 0.00 0.00 178.83 178.01 1xs8 h THR 47 N 1.11 1.27 -0.83 2.39 2.02 -1.01 -2.36 112.91 115.50 1xs8 h THR 47 Ca 0.28 -1.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.06 1xs8 h THR 47 Cb 0.06 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 1xs8 h THR 47 CO -0.04 0.46 0.49 -0.03 0.37 0.00 0.00 175.52 176.77 1xs8 h MET 48 N 0.70 1.13 -0.98 6.66 1.85 -0.65 -1.15 114.93 122.49 1xs8 h MET 48 Ca 0.09 -0.11 0.07 0.00 -0.61 0.00 0.00 59.70 59.14 1xs8 h MET 48 Cb 0.78 -0.23 -0.07 0.00 0.43 0.00 0.00 31.60 32.51 1xs8 h MET 48 CO 0.06 0.81 0.63 -0.07 -0.40 0.00 0.00 176.91 177.94 1xs8 h LEU 49 N 1.14 0.99 -0.70 3.39 4.07 -0.49 0.18 115.31 123.89 1xs8 h LEU 49 Ca 0.29 0.02 -0.11 0.00 0.08 0.00 0.00 57.88 58.16 1xs8 h LEU 49 Cb -0.02 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.51 1xs8 h LEU 49 CO -0.05 0.61 -0.16 0.40 -1.08 0.00 0.00 178.44 178.16 1xs8 h ILE 50 N 1.11 1.27 -0.11 1.22 2.04 -0.79 0.14 117.51 122.38 1xs8 h ILE 50 Ca 0.43 -1.27 -0.22 0.00 1.00 0.00 0.00 64.86 64.81 1xs8 h ILE 50 Cb 0.22 1.10 0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1xs8 h ILE 50 CO -0.19 0.43 -0.78 0.78 0.00 0.00 0.00 178.15 178.39 1xs8 h ASN 51 N 0.74 0.89 0.01 1.72 2.35 -0.47 -1.34 115.58 119.49 1xs8 h ASN 51 Ca 0.11 -0.65 -0.00 0.00 -0.55 0.00 0.00 56.30 55.21 1xs8 h ASN 51 Cb 0.68 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1xs8 h ASN 51 CO 0.05 1.40 -0.01 -0.33 -1.65 0.00 0.00 177.43 176.90 1xs8 h GLU 52 N 0.44 -0.02 0.00 0.81 5.08 -0.63 -3.38 114.58 116.87 1xs8 h GLU 52 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1xs8 h GLU 52 Cb 1.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.67 1xs8 h GLU 52 CO 0.16 0.69 -1.14 1.63 -1.00 0.00 0.00 179.01 179.35 1xs8 n LYS 53 N -4.69 0.26 -3.65 2.33 5.02 0.47 -4.98 118.16 112.92 1xs8 n LYS 53 Ca -0.08 -0.03 -0.22 0.00 -2.02 0.00 0.00 58.31 55.96 1xs8 n LYS 53 Cb 0.34 -1.56 0.04 0.00 -0.02 0.00 0.00 35.03 33.84 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 -1.87 -4.23 -2.71 1.97 4.76 -0.50 -4.88 118.16 110.69 1xs8 n LYS 54 Ca 0.02 0.62 -0.43 0.00 -2.87 0.00 0.00 58.31 55.65 1xs8 n LYS 54 Cb 0.43 -5.11 0.00 0.00 -1.84 0.00 0.00 35.03 28.50 1xs8 n LYS 54 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 1xs8 n LEU 55 N -4.17 5.52 -4.75 -0.35 -0.00 -1.26 -4.99 117.00 107.01 1xs8 n LEU 55 Ca -0.25 -4.39 -0.41 0.00 -0.00 0.00 0.00 56.01 50.95 1xs8 n LEU 55 Cb 0.66 -1.62 -0.02 0.00 -0.00 0.00 0.00 43.42 42.44 1xs8 n LEU 55 CO 0.67 0.77 1.10 0.20 -0.00 0.00 0.00 177.39 180.13 1xs8 s ASN 56 N 2.70 6.65 0.00 1.45 -0.87 -1.26 -4.84 114.94 118.77 1xs8 s ASN 56 Ca 0.44 2.69 0.11 0.00 -1.57 0.00 0.00 52.86 54.53 1xs8 s ASN 56 Cb 0.01 -2.63 0.64 0.00 -0.02 0.00 0.00 41.25 39.26 1xs8 s ASN 56 CO 0.01 -0.69 1.36 0.23 -2.57 0.00 0.00 177.10 175.44 1xs8 n MET 57 N 2.11 0.94 0.30 -0.60 2.81 -1.26 -2.87 117.12 118.54 1xs8 n MET 57 Ca 0.06 0.00 0.18 0.00 -1.81 0.00 0.00 57.70 56.13 1xs8 n MET 57 Cb 0.40 -1.18 0.90 0.00 -0.71 0.00 0.00 33.22 32.63 1xs8 n MET 57 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1xs8 h MET 58 N 0.00 0.00 -5.19 0.03 -0.00 -1.98 -3.40 114.93 104.39 1xs8 h MET 58 Ca 0.00 0.00 -0.64 0.00 -0.00 0.00 0.00 59.70 59.06 1xs8 h MET 58 Cb 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 31.60 31.39 1xs8 h MET 58 CO 0.00 0.04 -0.63 -0.80 -0.00 0.00 0.00 176.91 175.51 1xs8 s ASN 59 N -5.65 5.06 0.57 -0.10 -0.87 -1.14 -4.99 114.94 107.82 1xs8 s ASN 59 Ca -0.02 -0.11 0.30 0.00 -1.57 0.00 0.00 52.86 51.45 1xs8 s ASN 59 Cb 0.12 -1.86 1.74 0.00 -0.02 0.00 0.00 41.25 41.23 1xs8 s ASN 59 CO 0.51 0.11 2.20 0.00 -2.57 0.00 0.00 177.10 177.35 1xs8 h ALA 60 N 7.17 1.41 -0.14 0.60 0.00 -1.90 0.70 119.26 127.11 1xs8 h ALA 60 Ca -0.35 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1xs8 h ALA 60 Cb 1.18 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1xs8 h ALA 60 CO 0.63 0.05 0.04 0.93 0.00 0.00 0.00 179.25 180.90 1xs8 h GLU 61 N 0.00 0.22 0.00 0.00 5.08 -1.94 0.18 114.58 118.12 1xs8 h GLU 61 Ca -0.00 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 1xs8 h GLU 61 Cb 0.11 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1xs8 h GLU 61 CO 0.01 0.36 -0.57 0.45 -1.00 0.00 0.00 179.01 178.26 1xs8 h HIS 62 N 0.03 0.00 -0.16 4.33 3.86 -1.56 -2.83 115.15 118.82 1xs8 h HIS 62 Ca 0.04 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.06 1xs8 h HIS 62 Cb 0.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.71 1xs8 h HIS 62 CO 0.00 0.57 -0.68 -0.09 0.86 0.00 0.00 177.93 178.59 1xs8 h ARG 63 N 0.00 0.65 0.00 2.45 1.12 -0.75 -2.81 114.38 115.04 1xs8 h ARG 63 Ca -0.01 -0.48 -0.08 0.00 -1.11 0.00 0.00 59.98 58.30 1xs8 h ARG 63 Cb 1.29 0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 31.32 1xs8 h ARG 63 CO 0.07 1.10 -0.38 1.57 -3.11 0.00 0.00 179.97 179.23 1xs8 h LYS 64 N 0.46 0.00 -0.05 0.20 2.10 -0.59 -2.20 116.57 116.50 1xs8 h LYS 64 Ca -0.02 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.65 1xs8 h LYS 64 Cb 1.28 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.57 1xs8 h LYS 64 CO 0.13 0.38 -0.14 -0.07 -2.00 0.00 0.00 179.45 177.75 1xs8 h LEU 65 N 0.00 -0.41 -0.54 7.07 3.38 -1.27 0.30 115.31 123.84 1xs8 h LEU 65 Ca -0.00 0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.14 1xs8 h LEU 65 Cb 0.78 0.18 -0.10 0.00 0.09 0.00 0.00 40.66 41.61 1xs8 h LEU 65 CO 0.05 -0.19 -0.07 0.25 0.09 0.00 0.00 178.44 178.58 1xs8 h LEU 66 N -0.21 -0.37 0.45 1.67 5.85 -1.22 -1.07 115.31 120.42 1xs8 h LEU 66 Ca 0.06 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1xs8 h LEU 66 Cb 0.29 0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1xs8 h LEU 66 CO -0.17 -0.14 -0.22 -0.08 -0.34 0.00 0.00 178.44 177.50 1xs8 h GLU 67 N 0.05 -0.58 0.29 1.25 4.57 -0.85 -2.44 114.58 116.88 1xs8 h GLU 67 Ca 0.27 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.48 1xs8 h GLU 67 Cb 0.42 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1xs8 h GLU 67 CO -0.51 -0.28 -0.14 1.96 -1.18 0.00 0.00 179.01 178.86 1xs8 h GLN 68 N -0.85 -0.38 0.00 1.92 4.20 -0.32 -2.77 115.11 116.92 1xs8 h GLN 68 Ca -0.06 0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 1xs8 h GLN 68 Cb 0.56 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 1xs8 h GLN 68 CO 0.10 -0.16 -0.33 0.93 -0.67 0.00 0.00 178.83 178.70 1xs8 h GLU 69 N -0.52 0.00 0.33 1.46 5.08 -1.31 -1.37 114.58 118.24 1xs8 h GLU 69 Ca -0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1xs8 h GLU 69 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1xs8 h GLU 69 CO 0.07 0.33 -0.16 1.98 -1.00 0.00 0.00 179.01 180.23 1xs8 h MET 70 N 0.00 -0.42 -0.30 2.33 4.05 -1.29 -0.34 114.93 118.95 1xs8 h MET 70 Ca -0.00 0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.41 1xs8 h MET 70 Cb 0.65 0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.53 1xs8 h MET 70 CO 0.04 -0.27 0.01 0.28 0.23 0.00 0.00 176.91 177.20 1xs8 h VAL 71 N -0.45 1.17 -0.25 -5.77 2.07 -1.20 -1.25 116.25 110.57 1xs8 h VAL 71 Ca -0.04 -0.67 -0.15 0.00 0.82 0.00 0.00 66.70 66.65 1xs8 h VAL 71 Cb 0.34 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1xs8 h VAL 71 CO 0.07 0.23 -0.45 0.28 0.02 0.00 0.00 177.57 177.72 1xs8 h SER 72 N 0.44 0.69 0.18 0.57 0.02 -0.92 0.12 113.55 114.66 1xs8 h SER 72 Ca 0.10 -0.33 -0.34 0.00 -0.84 0.00 0.00 61.79 60.37 1xs8 h SER 72 Cb 0.27 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 62.63 1xs8 h SER 72 CO 0.01 1.04 -1.70 0.15 -1.14 0.00 0.00 176.83 175.19 1xs8 h PHE 73 N 0.51 0.70 0.06 3.45 3.57 -0.82 -3.05 116.94 121.37 1xs8 h PHE 73 Ca 0.03 -0.51 -0.21 0.00 3.53 0.00 0.00 57.97 60.81 1xs8 h PHE 73 Cb 0.99 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 1xs8 h PHE 73 CO 0.05 1.66 -1.11 -0.07 -2.23 0.00 0.00 178.31 176.61 1xs8 h LEU 74 N 0.06 0.21 0.00 0.59 3.38 -1.30 -3.40 115.31 114.85 1xs8 h LEU 74 Ca -0.34 -0.79 -0.21 0.00 0.09 0.00 0.00 57.88 56.63 1xs8 h LEU 74 Cb 2.06 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 42.70 1xs8 h LEU 74 CO 0.17 1.47 -2.22 0.33 0.09 0.00 0.00 178.44 178.28 1xs8 n PHE 75 N -4.19 0.00 -1.79 1.13 7.35 -0.21 -3.55 117.46 116.20 1xs8 n PHE 75 Ca -0.24 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.26 1xs8 n PHE 75 Cb 0.76 -0.78 -0.06 0.00 0.35 0.00 0.00 39.48 39.75 1xs8 n PHE 75 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1xs8 n GLU 76 N -2.54 -1.36 -3.22 -4.13 1.02 0.26 -4.72 120.64 105.96 1xs8 n GLU 76 Ca -0.21 1.08 -0.20 0.00 -0.02 0.00 0.00 57.16 57.82 1xs8 n GLU 76 Cb 0.91 -5.45 -0.07 0.00 -0.02 0.00 0.00 31.44 26.81 1xs8 n GLU 76 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1xs8 s GLY 77 N -2.61 0.42 0.14 0.62 0.00 -1.24 -4.99 107.32 99.65 1xs8 s GLY 77 Ca 0.00 -1.77 0.09 0.00 0.00 0.00 0.00 44.72 43.04 1xs8 s GLY 77 CO 0.00 2.60 -0.20 -1.59 0.00 0.00 0.00 173.10 173.90 1xs8 s LYS 78 N 0.41 1.23 -0.00 2.90 0.00 -1.26 -4.95 119.74 118.06 1xs8 s LYS 78 Ca 0.31 -1.31 0.16 0.00 0.00 0.00 0.00 55.97 55.13 1xs8 s LYS 78 Cb 0.01 -1.42 -0.19 0.00 0.00 0.00 0.00 37.83 36.23 1xs8 s LYS 78 CO -0.14 0.31 0.66 -3.47 0.00 0.00 0.00 175.35 172.71 1xs8 n ASP 79 N 0.65 0.82 -4.55 0.03 2.03 -1.26 -4.84 116.55 109.43 1xs8 n ASP 79 Ca -0.16 -0.78 -0.41 0.00 0.52 0.00 0.00 54.79 53.95 1xs8 n ASP 79 Cb 0.55 1.09 -0.03 0.00 -0.72 0.00 0.00 41.12 42.02 1xs8 n ASP 79 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1xs8 s VAL 80 N -2.63 3.93 0.50 5.18 1.01 -1.26 -4.99 120.40 122.15 1xs8 s VAL 80 Ca 0.05 -0.50 -0.21 0.00 0.00 0.00 0.00 61.98 61.32 1xs8 s VAL 80 Cb 0.12 -4.99 -0.07 0.00 0.00 0.00 0.00 36.38 31.44 1xs8 s VAL 80 CO 0.68 -1.88 1.13 -1.38 0.00 0.00 0.00 175.10 173.66 1xs8 s HIS 81 N 5.00 2.79 -0.37 5.22 -3.43 -1.26 -4.96 115.29 118.29 1xs8 s HIS 81 Ca 0.42 1.55 -0.09 0.00 -0.80 0.00 0.00 55.06 56.13 1xs8 s HIS 81 Cb -0.03 -3.29 0.04 0.00 -1.43 0.00 0.00 32.58 27.87 1xs8 s HIS 81 CO -0.03 -1.45 0.18 0.42 -2.00 0.00 0.00 174.74 171.86 1xs8 s ILE 82 N -1.71 4.22 -1.12 -5.38 1.01 -1.26 -4.92 121.20 112.04 1xs8 s ILE 82 Ca 0.69 -1.05 0.12 0.00 0.00 0.00 0.00 60.65 60.40 1xs8 s ILE 82 Cb -0.25 -3.41 0.28 0.00 0.01 0.00 0.00 42.46 39.10 1xs8 s ILE 82 CO 0.29 -0.26 1.19 -0.62 0.00 0.00 0.00 174.94 175.54 1xs8 n GLU 83 N 4.91 2.37 0.00 2.79 1.02 -1.26 -5.09 120.64 125.38 1xs8 n GLU 83 Ca -0.12 -1.90 0.00 0.00 -0.02 0.00 0.00 57.16 55.12 1xs8 n GLU 83 Cb 0.45 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 1xs8 n GLU 83 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xs8 n GLY 84 N 0.62 -1.49 0.25 0.62 0.00 -1.26 -4.56 105.19 99.37 1xs8 n GLY 84 Ca 0.11 -1.91 0.06 0.00 0.00 0.00 0.00 46.02 44.28 1xs8 n GLY 84 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1xs8 n TYR 85 N 0.00 0.00 -3.79 1.61 4.11 -1.26 -4.89 117.16 112.94 1xs8 n TYR 85 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.90 57.53 1xs8 n TYR 85 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 39.34 39.21 1xs8 n TYR 85 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1xs8 s THR 86 N -1.60 3.65 0.83 -3.48 2.01 -1.26 -5.10 115.64 110.69 1xs8 s THR 86 Ca 0.10 -1.09 -0.07 0.00 0.31 0.00 0.00 61.69 60.93 1xs8 s THR 86 Cb 0.10 -3.03 0.18 0.00 0.01 0.00 0.00 72.50 69.75 1xs8 s THR 86 CO 0.32 -0.11 1.13 -0.81 -0.69 0.00 0.00 174.62 174.46 1xs8 n PRO 87 N 4.79 -0.62 -4.07 4.92 -0.04 -1.26 -5.06 135.00 133.66 1xs8 n PRO 87 Ca -0.13 -2.41 -0.10 0.00 -0.04 0.00 0.00 63.50 60.83 1xs8 n PRO 87 Cb 0.45 -0.96 -0.09 0.00 -0.04 0.00 0.00 33.50 32.87 1xs8 n PRO 87 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1xs8 s GLU 88 N -5.42 1.02 0.54 0.54 -1.05 -1.26 -5.16 118.70 107.90 1xs8 s GLU 88 Ca 0.69 -1.32 -0.14 0.00 -0.15 0.00 0.00 54.97 54.05 1xs8 s GLU 88 Cb -0.03 0.30 -0.07 0.00 -0.44 0.00 0.00 34.13 33.89 1xs8 s GLU 88 CO 0.47 -0.33 0.98 -0.51 0.95 0.00 0.00 175.26 176.83 1xs8 s ASP 89 N -3.01 6.50 -0.11 0.83 1.01 -1.26 -5.06 116.67 115.57 1xs8 s ASP 89 Ca 0.21 1.49 0.02 0.00 0.71 0.00 0.00 52.55 54.98 1xs8 s ASP 89 Cb 0.06 -2.48 -0.01 0.00 1.01 0.00 0.00 42.92 41.49 1xs8 s ASP 89 CO 0.01 -0.65 -0.16 -0.75 0.21 0.00 0.00 175.17 173.82 1xs8 s LYS 90 N -4.38 3.12 0.00 8.23 2.47 -1.26 -5.37 119.74 122.56 1xs8 s LYS 90 Ca 0.57 -0.74 0.05 0.00 -1.56 0.00 0.00 55.97 54.30 1xs8 s LYS 90 Cb -0.10 -2.49 0.04 0.00 -1.46 0.00 0.00 37.83 33.82 1xs8 s LYS 90 CO 0.38 0.28 0.67 1.63 0.16 0.00 0.00 175.35 178.47