#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 -2.14 -3.96 3.17 2.88 -1.26 -4.80 113.62 107.52 1xs8 n SER 2 Ca 0.00 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.35 1xs8 n SER 2 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 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 0.00 0.74 -0.12 -1.46 3.03 -1.26 -5.07 118.95 114.81 1xs8 s ARG 3 Ca 0.00 -0.22 -0.07 0.00 2.03 0.00 0.00 55.73 57.47 1xs8 s ARG 3 Cb 0.00 -0.72 -0.04 0.00 -1.03 0.00 0.00 34.95 33.16 1xs8 s ARG 3 CO 0.00 0.07 0.15 0.95 -1.13 0.00 0.00 175.30 175.34 1xs8 s THR 4 N 0.26 5.49 0.15 4.99 -4.23 -1.26 -0.30 115.64 120.74 1xs8 s THR 4 Ca -0.03 0.23 0.06 0.00 -1.18 0.00 0.00 61.69 60.77 1xs8 s THR 4 Cb -0.08 -3.42 -0.04 0.00 1.34 0.00 0.00 72.50 70.30 1xs8 s THR 4 CO 0.00 0.61 -0.13 0.27 -0.54 0.00 0.00 174.62 174.82 1xs8 s ILE 5 N -0.93 1.38 -0.84 2.99 -4.36 0.99 -4.83 121.20 115.61 1xs8 s ILE 5 Ca 0.15 -1.92 -0.22 0.00 -0.26 0.00 0.00 60.65 58.39 1xs8 s ILE 5 Cb -0.12 -1.73 0.08 0.00 1.25 0.00 0.00 42.46 41.93 1xs8 s ILE 5 CO 0.04 -0.54 1.18 -0.36 0.24 0.00 0.00 174.94 175.50 1xs8 s PHE 6 N -2.64 2.71 0.00 1.37 0.08 -1.26 -0.16 117.98 118.08 1xs8 s PHE 6 Ca 0.14 -0.79 -0.30 0.00 0.12 0.00 0.00 56.93 56.10 1xs8 s PHE 6 Cb -0.02 -4.44 -0.06 0.00 -0.57 0.00 0.00 43.02 37.93 1xs8 s PHE 6 CO 0.03 -1.74 1.51 0.00 -0.10 0.00 0.00 175.22 174.92 1xs8 h THR 8 N 5.04 0.89 -0.05 0.00 1.35 -1.33 0.67 112.91 119.49 1xs8 h THR 8 Ca -0.39 -0.21 -0.14 0.00 -0.55 0.00 0.00 66.41 65.13 1xs8 h THR 8 Cb 1.18 0.23 -0.01 0.00 -1.73 0.00 0.00 68.15 67.82 1xs8 h THR 8 CO 0.92 0.11 -0.59 0.22 -0.25 0.00 0.00 175.52 175.93 1xs8 h TYR 9 N 0.61 0.20 0.00 4.73 3.20 -1.77 -3.23 116.97 120.70 1xs8 h TYR 9 Ca 0.32 -0.07 -0.22 0.00 3.14 0.00 0.00 58.73 61.89 1xs8 h TYR 9 Cb 0.29 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.48 1xs8 h TYR 9 CO -0.10 0.71 -1.82 1.28 -1.64 0.00 0.00 178.16 176.59 1xs8 n LEU 10 N -3.86 0.50 -0.74 2.82 4.77 -0.90 -4.97 117.00 114.61 1xs8 n LEU 10 Ca -0.02 0.22 -0.10 0.00 -0.03 0.00 0.00 56.01 56.09 1xs8 n LEU 10 Cb 0.60 0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 41.85 1xs8 n LEU 10 CO 0.43 0.27 -0.09 0.00 -1.33 0.00 0.00 177.39 176.67 1xs8 n GLN 11 N -2.79 -1.07 -4.13 3.23 1.13 0.23 -4.96 117.38 109.02 1xs8 n GLN 11 Ca -0.17 0.79 -0.19 0.00 -1.94 0.00 0.00 57.00 55.49 1xs8 n GLN 11 Cb 0.93 -4.85 -0.07 0.00 0.11 0.00 0.00 30.24 26.36 1xs8 n GLN 11 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1xs8 n ARG 12 N -1.92 0.40 -2.04 -1.09 1.74 -1.25 -4.94 116.66 107.55 1xs8 n ARG 12 Ca -0.10 -3.17 -0.43 0.00 -0.77 0.00 0.00 57.85 53.39 1xs8 n ARG 12 Cb 0.42 2.56 -0.03 0.00 -1.02 0.00 0.00 32.46 34.39 1xs8 n ARG 12 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1xs8 s ASP 13 N -3.22 6.43 0.49 0.55 1.11 -1.26 -2.36 116.67 118.41 1xs8 s ASP 13 Ca 0.37 1.86 0.02 0.00 0.18 0.00 0.00 52.55 54.98 1xs8 s ASP 13 Cb 0.02 -2.53 -0.01 0.00 1.07 0.00 0.00 42.92 41.47 1xs8 s ASP 13 CO 0.26 -1.18 0.05 0.00 1.18 0.00 0.00 175.17 175.49 1xs8 s ALA 14 N 4.95 3.81 -0.04 5.23 0.00 0.78 -4.93 121.76 131.55 1xs8 s ALA 14 Ca 0.74 -0.47 -0.11 0.00 0.00 0.00 0.00 51.96 52.12 1xs8 s ALA 14 Cb -0.28 0.28 -0.05 0.00 0.00 0.00 0.00 23.12 23.07 1xs8 s ALA 14 CO 0.30 -0.13 0.29 -1.83 0.00 0.00 0.00 175.76 174.39 1xs8 s GLU 15 N -3.81 3.70 0.41 0.00 -1.05 -1.26 -0.01 118.70 116.68 1xs8 s GLU 15 Ca 0.09 0.16 -0.26 0.00 -0.15 0.00 0.00 54.97 54.80 1xs8 s GLU 15 Cb 0.01 -3.19 -0.09 0.00 -0.44 0.00 0.00 34.13 30.42 1xs8 s GLU 15 CO 0.06 0.72 1.36 0.20 0.95 0.00 0.00 175.26 178.55 1xs8 s GLY 16 N -1.13 2.93 0.00 -3.83 0.00 0.59 -4.14 107.32 101.75 1xs8 s GLY 16 Ca 0.21 1.34 0.00 0.00 0.00 0.00 0.00 44.72 46.27 1xs8 s GLY 16 CO 0.10 1.95 0.00 -1.06 0.00 0.00 0.00 173.10 174.09 1xs8 n GLN 17 N 0.14 -0.56 0.00 2.90 1.13 -1.13 -4.84 117.38 115.02 1xs8 n GLN 17 Ca 0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1xs8 n GLN 17 Cb 0.42 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.77 1xs8 n GLN 17 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1xs8 n ASP 18 N -2.37 -0.30 -3.99 1.08 -0.08 -1.26 -5.03 116.55 104.60 1xs8 n ASP 18 Ca 0.00 -0.73 -0.16 0.00 -1.51 0.00 0.00 54.79 52.40 1xs8 n ASP 18 Cb 0.00 0.00 0.07 0.00 2.34 0.00 0.00 41.12 43.53 1xs8 n ASP 18 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1xs8 n PHE 19 N -1.93 -2.79 -2.52 -0.67 3.72 -1.26 -4.98 117.46 107.03 1xs8 n PHE 19 Ca 0.00 -1.40 -0.40 0.00 -0.05 0.00 0.00 57.45 55.60 1xs8 n PHE 19 Cb 0.00 -0.47 -0.03 0.00 -0.94 0.00 0.00 39.48 38.04 1xs8 n PHE 19 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1xs8 s GLN 20 N -4.16 3.56 0.28 -1.08 -1.52 -1.26 -4.71 119.66 110.77 1xs8 s GLN 20 Ca 0.46 -1.21 0.23 0.00 -1.95 0.00 0.00 55.36 52.90 1xs8 s GLN 20 Cb -0.03 -5.37 0.23 0.00 -0.22 0.00 0.00 33.01 27.63 1xs8 s GLN 20 CO 0.30 -2.34 1.35 1.37 -0.25 0.00 0.00 175.29 175.72 1xs8 h LEU 21 N 13.23 0.00 0.00 2.90 8.10 -2.00 -3.45 115.31 134.09 1xs8 h LEU 21 Ca 0.24 -0.03 0.00 0.00 0.11 0.00 0.00 57.88 58.20 1xs8 h LEU 21 Cb 0.98 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.20 1xs8 h LEU 21 CO 1.42 0.01 0.00 0.00 -4.11 0.00 0.00 178.44 175.76 1xs8 n TYR 22 N -2.73 -2.57 -1.39 0.17 9.36 -1.26 -5.15 117.16 113.59 1xs8 n TYR 22 Ca 0.02 0.42 -0.30 0.00 3.32 0.00 0.00 57.90 61.36 1xs8 n TYR 22 Cb 0.52 1.35 0.10 0.00 -0.63 0.00 0.00 39.34 40.67 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 -2.00 2.09 0.00 2.98 0.02 -1.26 -5.07 135.00 131.75 1xs8 s PRO 23 Ca 0.00 0.89 0.00 0.00 0.02 0.00 0.00 61.00 61.91 1xs8 s PRO 23 Cb 0.00 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.62 1xs8 s PRO 23 CO 0.00 -1.69 0.00 0.41 -0.33 0.00 0.00 177.00 175.39 1xs8 n GLY 24 N -1.58 1.13 0.19 0.52 0.00 -1.26 -4.72 105.19 99.47 1xs8 n GLY 24 Ca 0.08 -0.56 -0.07 0.00 0.00 0.00 0.00 46.02 45.46 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 0.54 -0.29 1.61 3.07 -1.98 -0.06 114.58 117.47 1xs8 h GLU 25 Ca 0.00 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 1xs8 h GLU 25 Cb 0.00 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.77 1xs8 h GLU 25 CO 0.00 0.36 0.12 1.25 -1.40 0.00 0.00 179.01 179.34 1xs8 h LEU 26 N 0.56 0.40 -0.99 1.33 5.85 -2.00 -1.19 115.31 119.27 1xs8 h LEU 26 Ca 0.17 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 1xs8 h LEU 26 Cb -0.03 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1xs8 h LEU 26 CO -0.06 0.45 -0.25 1.23 -0.34 0.00 0.00 178.44 179.48 1xs8 h GLY 27 N 0.32 0.47 0.99 3.75 0.00 -1.82 -2.53 103.07 104.26 1xs8 h GLY 27 Ca 0.10 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 1xs8 h GLY 27 CO -0.01 0.35 0.30 1.70 0.00 0.00 0.00 176.54 178.88 1xs8 h LYS 28 N 0.39 0.86 -0.59 4.80 3.64 -0.67 -1.62 116.57 123.37 1xs8 h LYS 28 Ca 0.06 -0.12 0.08 0.00 -1.27 0.00 0.00 60.65 59.40 1xs8 h LYS 28 Cb 0.65 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.25 1xs8 h LYS 28 CO 0.05 0.68 0.25 -0.09 -2.27 0.00 0.00 179.45 178.07 1xs8 h ARG 29 N 0.82 0.45 -0.90 1.90 2.43 -0.81 -0.36 114.38 117.92 1xs8 h ARG 29 Ca 0.21 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1xs8 h ARG 29 Cb 0.10 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 1xs8 h ARG 29 CO -0.03 0.30 0.52 0.82 -1.51 0.00 0.00 179.97 180.07 1xs8 h ILE 30 N 0.46 1.25 0.00 1.20 2.04 -1.13 -0.64 117.51 120.69 1xs8 h ILE 30 Ca 0.28 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1xs8 h ILE 30 Cb 0.29 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1xs8 h ILE 30 CO -0.25 0.27 0.00 -1.22 0.00 0.00 0.00 178.15 176.95 1xs8 n TYR 31 N -4.35 0.00 0.01 1.37 4.01 -0.40 0.40 117.16 118.19 1xs8 n TYR 31 Ca 0.10 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.86 1xs8 n TYR 31 Cb 0.08 -0.44 -0.11 0.00 -0.31 0.00 0.00 39.34 38.56 1xs8 n TYR 31 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1xs8 n ASN 32 N -1.44 0.48 -0.04 7.72 5.03 -0.28 -2.85 115.26 123.88 1xs8 n ASN 32 Ca 0.07 0.20 0.00 0.00 0.87 0.00 0.00 54.58 55.73 1xs8 n ASN 32 Cb 0.23 0.82 -0.11 0.00 -1.02 0.00 0.00 39.78 39.70 1xs8 n ASN 32 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1xs8 n GLU 33 N -2.67 1.07 -4.72 3.52 1.02 -0.63 -4.67 120.64 113.56 1xs8 n GLU 33 Ca -0.11 -0.07 -0.33 0.00 -0.02 0.00 0.00 57.16 56.62 1xs8 n GLU 33 Cb 0.79 -1.36 -0.14 0.00 -0.02 0.00 0.00 31.44 30.71 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 -2.70 3.00 0.78 -3.67 -1.09 0.16 -0.99 121.20 116.69 1xs8 s ILE 34 Ca -0.06 -0.67 -0.12 0.00 -2.23 0.00 0.00 60.65 57.57 1xs8 s ILE 34 Cb 0.07 -2.26 0.06 0.00 -1.58 0.00 0.00 42.46 38.75 1xs8 s ILE 34 CO 0.60 0.52 1.13 -0.55 -1.23 0.00 0.00 174.94 175.41 1xs8 s SER 35 N 0.46 4.77 0.46 3.58 0.15 -1.26 -4.23 113.70 117.63 1xs8 s SER 35 Ca -0.10 1.01 0.11 0.00 0.70 0.00 0.00 55.95 57.68 1xs8 s SER 35 Cb -0.16 -1.67 1.05 0.00 -1.71 0.00 0.00 66.02 63.53 1xs8 s SER 35 CO 0.05 -1.76 2.10 0.11 1.20 0.00 0.00 173.24 174.93 1xs8 h LYS 36 N -0.95 0.27 0.75 5.44 1.57 -1.89 -0.69 116.57 121.08 1xs8 h LYS 36 Ca -0.46 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.26 1xs8 h LYS 36 Cb 1.29 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1xs8 h LYS 36 CO 0.64 0.19 -0.41 -0.44 -0.57 0.00 0.00 179.45 178.86 1xs8 h ASP 37 N 0.28 -1.00 -0.48 0.86 5.19 -1.92 0.77 116.42 120.11 1xs8 h ASP 37 Ca 0.07 0.05 -0.06 0.00 -0.62 0.00 0.00 57.03 56.47 1xs8 h ASP 37 Cb -0.01 0.28 -0.02 0.00 0.18 0.00 0.00 39.33 39.75 1xs8 h ASP 37 CO -0.01 -0.66 0.10 0.00 -3.12 0.00 0.00 179.24 175.54 1xs8 h ALA 38 N -1.39 1.16 -0.32 3.45 0.00 -1.90 0.29 119.26 120.56 1xs8 h ALA 38 Ca -0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1xs8 h ALA 38 Cb 0.84 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1xs8 h ALA 38 CO 0.14 0.56 0.12 2.35 0.00 0.00 0.00 179.25 182.42 1xs8 h TRP 39 N 0.81 0.50 -0.30 0.00 2.91 -1.06 -0.09 115.95 118.72 1xs8 h TRP 39 Ca 0.17 -0.04 -0.18 0.00 1.13 0.00 0.00 58.89 59.97 1xs8 h TRP 39 Cb 0.34 -0.15 -0.00 0.00 -0.51 0.00 0.00 29.16 28.85 1xs8 h TRP 39 CO 0.02 0.49 -0.53 0.00 -1.03 0.00 0.00 178.44 177.38 1xs8 h ALA 40 N 0.96 0.48 -0.43 2.65 0.00 -0.60 -2.71 119.26 119.62 1xs8 h ALA 40 Ca 0.11 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1xs8 h ALA 40 Cb 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1xs8 h ALA 40 CO -0.01 0.68 0.18 0.37 0.00 0.00 0.00 179.25 180.47 1xs8 h GLN 41 N 0.68 0.63 -0.47 0.00 -0.00 -0.78 -0.42 115.11 114.75 1xs8 h GLN 41 Ca 0.02 -0.11 -0.05 0.00 -0.00 0.00 0.00 58.65 58.51 1xs8 h GLN 41 Cb 1.14 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 28.49 1xs8 h GLN 41 CO 0.12 0.58 0.09 2.35 0.00 0.00 0.00 178.83 181.97 1xs8 h TRP 42 N 0.55 0.80 -0.65 3.99 -0.00 -1.03 -0.46 115.95 119.15 1xs8 h TRP 42 Ca 0.14 -0.10 -0.04 0.00 -0.00 0.00 0.00 58.89 58.89 1xs8 h TRP 42 Cb 0.18 -0.22 -0.03 0.00 -0.00 0.00 0.00 29.16 29.09 1xs8 h TRP 42 CO -0.00 0.74 0.24 1.96 -0.00 0.00 0.00 178.44 181.39 1xs8 h GLN 43 N 0.63 0.98 -0.37 2.65 4.20 -1.31 0.26 115.11 122.15 1xs8 h GLN 43 Ca 0.14 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1xs8 h GLN 43 Cb 0.36 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 1xs8 h GLN 43 CO 0.01 0.83 0.23 1.25 -0.67 0.00 0.00 178.83 180.48 1xs8 h HIS 44 N 0.92 0.47 -0.14 2.96 2.76 -0.84 0.12 115.15 121.41 1xs8 h HIS 44 Ca 0.21 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.37 1xs8 h HIS 44 Cb 0.23 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.03 1xs8 h HIS 44 CO 0.02 0.33 0.03 -0.22 -1.30 0.00 0.00 177.93 176.78 1xs8 h LYS 45 N 0.48 0.22 -0.71 5.26 1.63 -0.76 -2.55 116.57 120.15 1xs8 h LYS 45 Ca 0.13 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.84 1xs8 h LYS 45 Cb -0.02 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.55 1xs8 h LYS 45 CO -0.03 0.39 0.32 0.37 -3.45 0.00 0.00 179.45 177.05 1xs8 h GLN 46 N 0.01 1.05 -0.94 1.90 5.75 -0.33 -1.58 115.11 120.97 1xs8 h GLN 46 Ca 0.04 -0.17 0.02 0.00 -0.15 0.00 0.00 58.65 58.39 1xs8 h GLN 46 Cb 0.28 -0.18 -0.05 0.00 1.07 0.00 0.00 27.48 28.60 1xs8 h GLN 46 CO 0.00 0.84 0.62 1.15 -2.65 0.00 0.00 178.83 178.79 1xs8 h THR 47 N 1.01 1.21 -0.38 2.39 2.02 -0.72 0.27 112.91 118.70 1xs8 h THR 47 Ca 0.24 -0.42 0.02 0.00 0.77 0.00 0.00 66.41 67.02 1xs8 h THR 47 Cb 0.16 -0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 66.41 1xs8 h THR 47 CO -0.03 0.23 0.22 -0.03 0.37 0.00 0.00 175.52 176.28 1xs8 h MET 48 N 1.23 0.44 -0.53 6.66 1.85 -0.97 -1.62 114.93 121.99 1xs8 h MET 48 Ca 0.36 -0.03 -0.05 0.00 -0.61 0.00 0.00 59.70 59.37 1xs8 h MET 48 Cb -0.09 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 31.82 1xs8 h MET 48 CO -0.09 0.29 0.11 -0.07 -0.40 0.00 0.00 176.91 176.75 1xs8 h LEU 49 N 0.45 0.77 -1.32 3.39 4.07 -0.34 -0.81 115.31 121.52 1xs8 h LEU 49 Ca 0.15 -0.14 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 1xs8 h LEU 49 Cb 0.01 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.52 1xs8 h LEU 49 CO -0.08 0.77 0.33 0.40 -1.08 0.00 0.00 178.44 178.78 1xs8 h ILE 50 N 0.79 1.17 0.05 1.22 2.04 0.02 0.18 117.51 122.99 1xs8 h ILE 50 Ca 0.17 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 1xs8 h ILE 50 Cb 0.32 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1xs8 h ILE 50 CO 0.00 0.19 -0.02 0.78 0.00 0.00 0.00 178.15 179.09 1xs8 h ASN 51 N 0.80 -0.05 -0.41 1.72 2.35 -0.50 0.72 115.58 120.22 1xs8 h ASN 51 Ca 0.21 -0.45 -0.01 0.00 -0.55 0.00 0.00 56.30 55.51 1xs8 h ASN 51 Cb 0.00 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1xs8 h ASN 51 CO -0.04 0.43 0.24 -0.33 -1.65 0.00 0.00 177.43 176.08 1xs8 h GLU 52 N -0.56 0.57 0.00 0.81 5.08 -0.87 -2.56 114.58 117.04 1xs8 h GLU 52 Ca -0.01 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1xs8 h GLU 52 Cb 0.50 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1xs8 h GLU 52 CO 0.01 0.44 -0.22 0.87 -1.00 0.00 0.00 179.01 179.11 1xs8 h LYS 53 N 0.54 0.00 -5.85 2.33 1.57 -0.73 -3.48 116.57 110.94 1xs8 h LYS 53 Ca 0.15 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.58 1xs8 h LYS 53 Cb 0.03 0.00 0.14 0.00 0.08 0.00 0.00 32.23 32.48 1xs8 h LYS 53 CO -0.03 0.00 -0.90 1.17 -0.57 0.00 0.00 179.45 179.13 1xs8 n LYS 54 N -2.64 -1.94 -2.55 3.15 3.00 0.20 -4.92 118.16 112.47 1xs8 n LYS 54 Ca 0.04 0.66 -0.40 0.00 -0.00 0.00 0.00 58.31 58.61 1xs8 n LYS 54 Cb 0.49 -4.99 -0.05 0.00 0.00 0.00 0.00 35.03 30.48 1xs8 n LYS 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1xs8 s LEU 55 N -5.98 4.51 -0.35 3.14 1.43 -0.93 -5.02 118.68 115.47 1xs8 s LEU 55 Ca 0.44 2.16 -0.13 0.00 -1.03 0.00 0.00 54.13 55.57 1xs8 s LEU 55 Cb -0.11 -3.72 -0.01 0.00 0.03 0.00 0.00 46.19 42.38 1xs8 s LEU 55 CO 0.80 -0.13 0.25 0.21 0.23 0.00 0.00 176.35 177.71 1xs8 s ASN 56 N -1.06 6.07 -0.44 2.29 3.84 -1.26 -4.98 114.94 119.41 1xs8 s ASN 56 Ca 0.46 -0.50 -0.02 0.00 0.21 0.00 0.00 52.86 53.01 1xs8 s ASN 56 Cb -0.29 -2.14 0.26 0.00 -0.55 0.00 0.00 41.25 38.53 1xs8 s ASN 56 CO 0.37 -0.28 2.11 0.23 -2.79 0.00 0.00 177.10 176.75 1xs8 n MET 57 N 5.12 2.13 -0.10 0.43 2.81 -1.26 -3.94 117.12 122.31 1xs8 n MET 57 Ca -0.12 -2.15 -0.18 0.00 -1.81 0.00 0.00 57.70 53.43 1xs8 n MET 57 Cb 0.49 -1.87 -0.13 0.00 -0.71 0.00 0.00 33.22 31.01 1xs8 n MET 57 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1xs8 n MET 58 N 0.06 0.67 -3.01 0.03 2.81 -1.26 -4.99 117.12 111.44 1xs8 n MET 58 Ca 0.41 0.17 -0.30 0.00 -1.81 0.00 0.00 57.70 56.17 1xs8 n MET 58 Cb 0.58 -1.56 -0.03 0.00 -0.71 0.00 0.00 33.22 31.50 1xs8 n MET 58 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1xs8 s ASN 59 N -6.58 6.49 0.00 7.83 0.01 -1.25 -4.96 114.94 116.48 1xs8 s ASN 59 Ca -0.31 0.99 0.23 0.00 -0.71 0.00 0.00 52.86 53.07 1xs8 s ASN 59 Cb 0.08 -2.26 1.09 0.00 0.41 0.00 0.00 41.25 40.57 1xs8 s ASN 59 CO 0.65 -0.34 1.76 0.00 -1.51 0.00 0.00 177.10 177.66 1xs8 n ALA 60 N -1.20 2.13 0.04 0.60 0.00 -1.26 -3.60 120.51 117.22 1xs8 n ALA 60 Ca 0.01 -0.10 -0.11 0.00 0.00 0.00 0.00 53.44 53.25 1xs8 n ALA 60 Cb 0.54 -1.38 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 1xs8 n ALA 60 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1xs8 h GLU 61 N 0.00 -0.33 0.00 0.00 5.08 -1.94 -0.97 114.58 116.42 1xs8 h GLU 61 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1xs8 h GLU 61 Cb 0.31 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1xs8 h GLU 61 CO 0.00 -0.22 0.00 0.45 -1.00 0.00 0.00 179.01 178.24 1xs8 h HIS 62 N -0.35 0.00 0.13 4.33 3.86 -1.86 -2.66 115.15 118.61 1xs8 h HIS 62 Ca 0.07 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 1xs8 h HIS 62 Cb 0.45 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.92 1xs8 h HIS 62 CO -0.29 0.00 -0.06 -0.09 0.86 0.00 0.00 177.93 178.35 1xs8 h ARG 63 N 0.00 -0.17 -0.04 2.45 9.65 -1.49 -1.63 114.38 123.15 1xs8 h ARG 63 Ca 0.00 0.01 -0.10 0.00 -1.10 0.00 0.00 59.98 58.79 1xs8 h ARG 63 Cb 0.92 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.53 1xs8 h ARG 63 CO 0.00 0.16 -0.45 1.57 2.80 0.00 0.00 179.97 184.05 1xs8 h LYS 64 N -0.51 0.10 0.43 0.20 2.10 -1.24 -2.64 116.57 115.01 1xs8 h LYS 64 Ca -0.02 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.57 1xs8 h LYS 64 Cb 0.40 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.72 1xs8 h LYS 64 CO 0.03 0.53 -0.33 1.25 -2.00 0.00 0.00 179.45 178.94 1xs8 h LEU 65 N 0.08 -0.85 -1.68 7.07 5.85 -1.33 0.14 115.31 124.59 1xs8 h LEU 65 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1xs8 h LEU 65 Cb 0.83 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 1xs8 h LEU 65 CO 0.06 -0.49 0.22 -0.07 -0.34 0.00 0.00 178.44 177.82 1xs8 h LEU 66 N -0.75 0.37 0.19 2.25 4.07 -1.26 0.10 115.31 120.29 1xs8 h LEU 66 Ca -0.04 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.90 1xs8 h LEU 66 Cb 0.64 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.29 1xs8 h LEU 66 CO 0.00 0.27 -0.09 -0.08 -1.08 0.00 0.00 178.44 177.46 1xs8 h GLU 67 N 0.44 -0.25 -0.37 1.13 4.81 -1.05 0.13 114.58 119.41 1xs8 h GLU 67 Ca 0.12 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1xs8 h GLU 67 Cb -0.05 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1xs8 h GLU 67 CO -0.03 -0.03 0.20 1.96 -0.73 0.00 0.00 179.01 180.38 1xs8 h GLN 68 N -0.44 0.53 0.00 1.92 4.20 -0.10 -1.64 115.11 119.57 1xs8 h GLN 68 Ca -0.03 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.54 1xs8 h GLN 68 Cb 0.34 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1xs8 h GLN 68 CO 0.04 0.45 -0.38 0.93 -0.67 0.00 0.00 178.83 179.20 1xs8 h GLU 69 N 0.47 0.00 0.14 1.46 5.08 -0.82 -0.81 114.58 120.11 1xs8 h GLU 69 Ca 0.13 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1xs8 h GLU 69 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1xs8 h GLU 69 CO -0.02 0.38 -0.07 1.98 -1.00 0.00 0.00 179.01 180.29 1xs8 h MET 70 N 0.00 -0.18 -0.53 2.33 4.05 -0.29 0.12 114.93 120.43 1xs8 h MET 70 Ca -0.00 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.39 1xs8 h MET 70 Cb 0.71 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.52 1xs8 h MET 70 CO 0.05 0.07 0.16 0.28 0.23 0.00 0.00 176.91 177.69 1xs8 h VAL 71 N -0.41 1.21 0.22 -5.77 2.07 -1.11 0.98 116.25 113.44 1xs8 h VAL 71 Ca -0.02 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1xs8 h VAL 71 Cb 0.33 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1xs8 h VAL 71 CO 0.03 0.28 -0.10 0.28 0.02 0.00 0.00 177.57 178.07 1xs8 h SER 72 N 0.77 -0.25 -0.08 0.57 0.02 -1.03 -1.46 113.55 112.08 1xs8 h SER 72 Ca 0.17 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 1xs8 h SER 72 Cb 0.24 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 1xs8 h SER 72 CO -0.01 0.09 -0.11 0.15 -1.14 0.00 0.00 176.83 175.81 1xs8 h PHE 73 N -0.61 0.28 0.08 3.45 3.57 -0.60 -0.86 116.94 122.25 1xs8 h PHE 73 Ca -0.03 -0.09 -0.27 0.00 3.53 0.00 0.00 57.97 61.11 1xs8 h PHE 73 Cb 0.44 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1xs8 h PHE 73 CO 0.02 0.69 -1.29 -0.07 -2.23 0.00 0.00 178.31 175.44 1xs8 h LEU 74 N -0.22 0.26 0.00 0.59 3.38 -0.93 -3.39 115.31 115.01 1xs8 h LEU 74 Ca 0.01 -0.32 -0.21 0.00 0.09 0.00 0.00 57.88 57.46 1xs8 h LEU 74 Cb 0.66 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1xs8 h LEU 74 CO 0.03 1.25 -1.78 0.49 0.09 0.00 0.00 178.44 178.53 1xs8 n PHE 75 N -3.42 0.00 -1.15 1.13 3.72 -0.62 -3.05 117.46 114.07 1xs8 n PHE 75 Ca -0.09 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.26 1xs8 n PHE 75 Cb 1.01 -0.56 -0.02 0.00 -0.94 0.00 0.00 39.48 38.97 1xs8 n PHE 75 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1xs8 n GLU 76 N -2.42 -1.46 -3.32 -1.08 -0.58 -0.33 -4.85 120.64 106.60 1xs8 n GLU 76 Ca -0.18 0.61 -0.25 0.00 -0.42 0.00 0.00 57.16 56.91 1xs8 n GLU 76 Cb 0.87 -4.81 -0.08 0.00 -0.57 0.00 0.00 31.44 26.85 1xs8 n GLU 76 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xs8 n GLY 77 N -0.15 3.51 3.32 0.62 0.00 -1.25 -5.02 105.19 106.21 1xs8 n GLY 77 Ca -0.05 -2.00 -0.23 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.52 1.23 -0.00 1.61 0.00 -1.26 -4.98 119.74 114.81 1xs8 s LYS 78 Ca 0.36 -1.31 0.05 0.00 0.00 0.00 0.00 55.97 55.07 1xs8 s LYS 78 Cb 0.14 -1.41 -0.06 0.00 0.00 0.00 0.00 37.83 36.50 1xs8 s LYS 78 CO -0.09 0.31 0.19 -0.25 0.00 0.00 0.00 175.35 175.51 1xs8 n ASP 79 N 0.65 0.84 -4.62 0.03 8.00 -1.26 -4.97 116.55 115.23 1xs8 n ASP 79 Ca -0.16 -0.51 -0.43 0.00 0.71 0.00 0.00 54.79 54.40 1xs8 n ASP 79 Cb 0.55 1.04 -0.02 0.00 -0.02 0.00 0.00 41.12 42.67 1xs8 n ASP 79 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1xs8 s VAL 80 N -1.61 4.25 0.02 2.53 1.01 -1.26 -4.97 120.40 120.36 1xs8 s VAL 80 Ca 0.01 1.38 -0.30 0.00 0.00 0.00 0.00 61.98 63.07 1xs8 s VAL 80 Cb 0.04 -4.37 -0.07 0.00 0.00 0.00 0.00 36.38 31.98 1xs8 s VAL 80 CO 0.20 -0.65 1.65 -2.28 0.00 0.00 0.00 175.10 174.02 1xs8 s HIS 81 N 4.27 2.23 -0.40 5.22 2.46 -1.26 -4.90 115.29 122.91 1xs8 s HIS 81 Ca 0.51 0.28 -0.28 0.00 0.47 0.00 0.00 55.06 56.04 1xs8 s HIS 81 Cb -0.12 -3.93 -0.02 0.00 -0.13 0.00 0.00 32.58 28.38 1xs8 s HIS 81 CO 0.24 -3.82 1.77 0.42 -2.47 0.00 0.00 174.74 170.88 1xs8 s ILE 82 N 3.23 3.50 -0.25 0.89 1.01 -1.26 -3.63 121.20 124.69 1xs8 s ILE 82 Ca 0.74 0.47 -0.02 0.00 0.00 0.00 0.00 60.65 61.84 1xs8 s ILE 82 Cb -0.37 -3.77 0.01 0.00 0.01 0.00 0.00 42.46 38.34 1xs8 s ILE 82 CO 0.31 -0.55 0.05 -0.62 0.00 0.00 0.00 174.94 174.12 1xs8 n GLU 83 N 8.54 -3.34 0.00 2.79 -0.58 -1.26 -5.03 120.64 121.77 1xs8 n GLU 83 Ca 0.22 2.68 0.00 0.00 -0.42 0.00 0.00 57.16 59.63 1xs8 n GLU 83 Cb 0.48 -4.85 0.00 0.00 -0.57 0.00 0.00 31.44 26.50 1xs8 n GLU 83 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xs8 n GLY 84 N 0.81 -0.61 3.69 0.62 0.00 -1.24 -5.11 105.19 103.36 1xs8 n GLY 84 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1xs8 n GLY 84 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xs8 s TYR 85 N -1.17 2.63 0.07 1.61 5.04 -1.26 -5.00 117.35 119.26 1xs8 s TYR 85 Ca 0.00 0.54 0.08 0.00 -2.44 0.00 0.00 57.07 55.25 1xs8 s TYR 85 Cb 0.00 -3.84 -0.03 0.00 0.35 0.00 0.00 41.96 38.44 1xs8 s TYR 85 CO 0.00 -3.26 -0.19 -0.08 -1.34 0.00 0.00 175.55 170.68 1xs8 s THR 86 N 2.47 2.70 0.00 4.34 -1.32 -1.26 -4.28 115.64 118.29 1xs8 s THR 86 Ca 0.70 -1.33 0.00 0.00 -1.21 0.00 0.00 61.69 59.85 1xs8 s THR 86 Cb -0.36 -2.16 0.00 0.00 -1.51 0.00 0.00 72.50 68.46 1xs8 s THR 86 CO 0.30 0.26 0.00 -2.65 -2.21 0.00 0.00 174.62 170.32 1xs8 n PRO 87 N 1.33 -0.62 -1.65 7.08 -0.02 -1.26 -4.41 135.00 135.44 1xs8 n PRO 87 Ca -0.16 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.16 1xs8 n PRO 87 Cb 0.52 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.95 1xs8 n PRO 87 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1xs8 n GLU 88 N -1.31 -1.12 -0.09 -0.52 -0.58 -1.26 -4.90 120.64 110.87 1xs8 n GLU 88 Ca 0.00 0.98 -0.22 0.00 -0.42 0.00 0.00 57.16 57.51 1xs8 n GLU 88 Cb 0.00 -5.19 -0.12 0.00 -0.57 0.00 0.00 31.44 25.56 1xs8 n GLU 88 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 1xs8 h ASP 89 N 0.00 0.06 -0.53 1.62 3.58 -2.05 -3.36 116.42 115.75 1xs8 h ASP 89 Ca -0.33 -0.59 -0.05 0.00 0.42 0.00 0.00 57.03 56.48 1xs8 h ASP 89 Cb 1.08 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 42.08 1xs8 h ASP 89 CO 0.46 1.53 0.06 2.29 -2.88 0.00 0.00 179.24 180.70 1xs8 n LYS 90 N -4.31 4.06 0.00 0.28 2.85 -1.26 -5.24 118.16 114.54 1xs8 n LYS 90 Ca -0.31 -2.66 0.00 0.00 -1.05 0.00 0.00 58.31 54.29 1xs8 n LYS 90 Cb 0.73 -2.14 0.00 0.00 -0.65 0.00 0.00 35.03 32.97 1xs8 n LYS 90 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71