#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 -5.59 -4.69 6.12 7.64 -1.26 -4.70 113.62 111.15 1xs8 n SER 2 Ca 0.00 0.83 -0.41 0.00 1.01 0.00 0.00 58.87 60.30 1xs8 n SER 2 Cb 0.00 -2.32 -0.04 0.00 -1.01 0.00 0.00 64.21 60.83 1xs8 n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xs8 s ARG 3 N -1.40 4.36 -0.59 1.43 1.70 -1.26 -4.93 118.95 118.25 1xs8 s ARG 3 Ca 0.00 1.03 -0.24 0.00 -0.47 0.00 0.00 55.73 56.05 1xs8 s ARG 3 Cb 0.00 -3.53 0.05 0.00 -0.57 0.00 0.00 34.95 30.90 1xs8 s ARG 3 CO 0.00 -0.20 0.96 0.95 -1.08 0.00 0.00 175.30 175.93 1xs8 s THR 4 N 1.70 4.35 0.38 4.99 -4.23 -1.26 -0.84 115.64 120.72 1xs8 s THR 4 Ca 0.40 0.11 0.08 0.00 -1.18 0.00 0.00 61.69 61.10 1xs8 s THR 4 Cb -0.17 -4.59 -0.07 0.00 1.34 0.00 0.00 72.50 69.01 1xs8 s THR 4 CO 0.15 -1.23 0.01 0.27 -0.54 0.00 0.00 174.62 173.28 1xs8 s ILE 5 N 4.05 2.27 -0.59 2.99 -5.25 0.80 -4.86 121.20 120.61 1xs8 s ILE 5 Ca 0.28 -2.00 -0.20 0.00 -0.99 0.00 0.00 60.65 57.75 1xs8 s ILE 5 Cb -0.14 -2.86 0.09 0.00 2.95 0.00 0.00 42.46 42.50 1xs8 s ILE 5 CO 0.17 -0.10 0.74 -0.36 -1.79 0.00 0.00 174.94 173.60 1xs8 s PHE 6 N -2.62 2.94 0.09 1.37 0.08 -1.26 -0.79 117.98 117.79 1xs8 s PHE 6 Ca 0.35 -0.79 -0.31 0.00 0.12 0.00 0.00 56.93 56.31 1xs8 s PHE 6 Cb 0.05 -3.98 -0.06 0.00 -0.57 0.00 0.00 43.02 38.45 1xs8 s PHE 6 CO 0.19 -1.31 1.25 0.00 -0.10 0.00 0.00 175.22 175.24 1xs8 h THR 8 N 4.36 1.25 -0.02 0.00 1.35 -1.13 0.42 112.91 119.14 1xs8 h THR 8 Ca -0.42 -0.93 -0.24 0.00 -0.55 0.00 0.00 66.41 64.27 1xs8 h THR 8 Cb 1.21 0.67 0.01 0.00 -1.73 0.00 0.00 68.15 68.31 1xs8 h THR 8 CO 0.82 0.35 -0.95 0.22 -0.25 0.00 0.00 175.52 175.70 1xs8 h TYR 9 N 0.91 0.84 0.06 4.73 3.20 -1.78 -3.31 116.97 121.62 1xs8 h TYR 9 Ca 0.19 -0.44 -0.28 0.00 3.14 0.00 0.00 58.73 61.34 1xs8 h TYR 9 Cb 0.36 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 1xs8 h TYR 9 CO 0.03 1.27 -1.46 -0.07 -1.64 0.00 0.00 178.16 176.29 1xs8 h LEU 10 N 0.34 0.19 1.85 2.82 3.38 -1.91 -3.48 115.31 118.51 1xs8 h LEU 10 Ca -0.09 -0.28 -0.36 0.00 0.09 0.00 0.00 57.88 57.24 1xs8 h LEU 10 Cb 1.59 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 42.29 1xs8 h LEU 10 CO 0.18 1.23 -0.49 0.00 0.09 0.00 0.00 178.44 179.45 1xs8 n GLN 11 N -3.32 -2.63 -4.36 1.13 1.13 0.15 -4.99 117.38 104.48 1xs8 n GLN 11 Ca -0.13 0.85 -0.20 0.00 -1.94 0.00 0.00 57.00 55.57 1xs8 n GLN 11 Cb 1.02 -5.40 -0.09 0.00 0.11 0.00 0.00 30.24 25.88 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 -5.17 1.71 -0.21 -1.09 1.81 -1.24 -4.95 118.95 109.80 1xs8 s ARG 12 Ca 0.11 -2.00 -0.25 0.00 -1.72 0.00 0.00 55.73 51.88 1xs8 s ARG 12 Cb -0.05 -0.11 -0.01 0.00 -0.45 0.00 0.00 34.95 34.33 1xs8 s ARG 12 CO 0.14 -0.51 0.83 -0.51 -0.68 0.00 0.00 175.30 174.57 1xs8 s ASP 13 N -3.43 6.88 0.25 0.23 1.01 -1.26 -1.75 116.67 118.61 1xs8 s ASP 13 Ca 0.34 1.09 0.01 0.00 0.71 0.00 0.00 52.55 54.70 1xs8 s ASP 13 Cb 0.04 -2.44 -0.03 0.00 1.01 0.00 0.00 42.92 41.49 1xs8 s ASP 13 CO 0.19 -0.46 0.21 0.00 0.21 0.00 0.00 175.17 175.32 1xs8 s ALA 14 N 2.54 1.30 0.33 5.23 0.00 0.03 -4.91 121.76 126.28 1xs8 s ALA 14 Ca 0.36 -1.77 -0.26 0.00 0.00 0.00 0.00 51.96 50.29 1xs8 s ALA 14 Cb -0.16 1.39 -0.10 0.00 0.00 0.00 0.00 23.12 24.26 1xs8 s ALA 14 CO 0.09 -0.64 0.99 -1.83 0.00 0.00 0.00 175.76 174.37 1xs8 s GLU 15 N -3.88 4.51 0.00 0.00 -1.05 -1.26 -0.14 118.70 116.89 1xs8 s GLU 15 Ca 0.38 1.43 -0.01 0.00 -0.15 0.00 0.00 54.97 56.63 1xs8 s GLU 15 Cb 0.05 -2.81 -0.02 0.00 -0.44 0.00 0.00 34.13 30.91 1xs8 s GLU 15 CO 0.17 0.19 1.90 0.41 0.95 0.00 0.00 175.26 178.88 1xs8 n GLY 16 N 0.63 2.30 7.00 -3.83 0.00 -0.02 -4.07 105.19 107.21 1xs8 n GLY 16 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1xs8 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xs8 n GLN 17 N 1.66 0.00 -1.01 1.61 10.64 -1.26 -4.61 117.38 124.42 1xs8 n GLN 17 Ca 0.04 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.91 1xs8 n GLN 17 Cb 0.47 0.00 0.24 0.00 -0.86 0.00 0.00 30.24 30.09 1xs8 n GLN 17 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1xs8 s ASP 18 N -4.00 0.96 0.49 2.61 1.11 -1.26 -4.95 116.67 111.64 1xs8 s ASP 18 Ca 0.00 0.75 -0.02 0.00 0.18 0.00 0.00 52.55 53.46 1xs8 s ASP 18 Cb 0.00 -1.09 -0.00 0.00 1.07 0.00 0.00 42.92 42.90 1xs8 s ASP 18 CO 0.00 -4.11 0.74 0.12 1.18 0.00 0.00 175.17 173.11 1xs8 s PHE 19 N -2.92 3.26 -0.05 4.23 5.36 -1.26 -5.00 117.98 121.60 1xs8 s PHE 19 Ca 0.70 0.40 -0.39 0.00 -0.96 0.00 0.00 56.93 56.67 1xs8 s PHE 19 Cb -0.12 -2.43 -0.18 0.00 -0.34 0.00 0.00 43.02 39.96 1xs8 s PHE 19 CO 0.57 -0.48 1.35 1.04 -1.46 0.00 0.00 175.22 176.23 1xs8 n GLN 20 N -2.23 0.69 -0.00 10.12 1.13 -1.26 -4.92 117.38 120.91 1xs8 n GLN 20 Ca 0.02 0.25 -0.00 0.00 -1.94 0.00 0.00 57.00 55.33 1xs8 n GLN 20 Cb 0.57 -1.84 -0.00 0.00 0.11 0.00 0.00 30.24 29.08 1xs8 n GLN 20 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1xs8 n LEU 21 N 2.79 0.07 0.00 1.08 4.32 -1.26 -5.03 117.00 118.97 1xs8 n LEU 21 Ca 0.21 0.01 0.00 0.00 -0.02 0.00 0.00 56.01 56.21 1xs8 n LEU 21 Cb 0.12 -0.46 0.00 0.00 -1.62 0.00 0.00 43.42 41.46 1xs8 n LEU 21 CO 0.67 -0.49 0.00 -1.22 -1.22 0.00 0.00 177.39 175.13 1xs8 n TYR 22 N -2.57 -0.04 -1.73 -1.77 4.01 -1.26 -5.09 117.16 108.71 1xs8 n TYR 22 Ca -0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.31 1xs8 n TYR 22 Cb 0.02 0.22 -0.01 0.00 -0.31 0.00 0.00 39.34 39.26 1xs8 n TYR 22 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1xs8 n PRO 23 N -1.94 2.47 0.00 -0.72 -0.02 -1.26 -5.00 135.00 128.53 1xs8 n PRO 23 Ca 0.00 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1xs8 n PRO 23 Cb 0.00 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 30.89 1xs8 n PRO 23 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xs8 n GLY 24 N 1.59 1.03 0.29 -1.23 0.00 -1.26 -4.16 105.19 101.46 1xs8 n GLY 24 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 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 0.82 -0.26 1.61 4.39 -1.99 -1.06 114.58 118.08 1xs8 h GLU 25 Ca 0.00 -0.20 -0.13 0.00 0.34 0.00 0.00 59.36 59.37 1xs8 h GLU 25 Cb 0.00 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1xs8 h GLU 25 CO 0.00 0.78 -0.37 1.25 -1.16 0.00 0.00 179.01 179.52 1xs8 h LEU 26 N 0.77 0.63 0.71 1.33 5.85 -1.99 -2.15 115.31 120.47 1xs8 h LEU 26 Ca 0.16 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 1xs8 h LEU 26 Cb 0.38 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 41.25 1xs8 h LEU 26 CO 0.01 0.94 -0.34 1.23 -0.34 0.00 0.00 178.44 179.94 1xs8 h GLY 27 N 1.03 -1.00 1.89 3.75 0.00 -1.46 -2.33 103.07 104.95 1xs8 h GLY 27 Ca 0.05 0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.74 1xs8 h GLY 27 CO 0.07 -0.36 0.05 0.07 0.00 0.00 0.00 176.54 176.37 1xs8 h LYS 28 N -1.04 0.15 -0.80 4.80 2.10 -1.28 0.61 116.57 121.11 1xs8 h LYS 28 Ca -0.10 -0.01 -0.03 0.00 -2.00 0.00 0.00 60.65 58.51 1xs8 h LYS 28 Cb 0.75 -0.03 -0.04 0.00 -0.90 0.00 0.00 32.23 32.01 1xs8 h LYS 28 CO 0.16 0.12 0.38 -0.09 -2.00 0.00 0.00 179.45 178.03 1xs8 h ARG 29 N 0.15 1.15 0.13 0.07 2.43 -1.20 -1.19 114.38 115.93 1xs8 h ARG 29 Ca 0.04 -0.17 -0.21 0.00 -0.81 0.00 0.00 59.98 58.84 1xs8 h ARG 29 Cb 0.02 -0.21 0.02 0.00 -0.42 0.00 0.00 29.97 29.39 1xs8 h ARG 29 CO -0.01 0.88 -0.90 0.82 -1.51 0.00 0.00 179.97 179.26 1xs8 h ILE 30 N 1.14 1.46 0.00 1.20 2.04 -0.63 -3.30 117.51 119.42 1xs8 h ILE 30 Ca 0.28 -2.49 -0.05 0.00 1.00 0.00 0.00 64.86 63.60 1xs8 h ILE 30 Cb 0.11 3.06 -0.01 0.00 -0.74 0.00 0.00 36.82 39.25 1xs8 h ILE 30 CO -0.03 0.72 -0.23 1.88 0.00 0.00 0.00 178.15 180.48 1xs8 h TYR 31 N -0.22 0.00 -0.08 1.37 0.05 -0.77 0.87 116.97 118.19 1xs8 h TYR 31 Ca -0.15 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.63 1xs8 h TYR 31 Cb 1.68 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.42 1xs8 h TYR 31 CO 0.18 0.23 0.00 0.27 -1.05 0.00 0.00 178.16 177.78 1xs8 n ASN 32 N -4.01 2.07 0.00 3.88 2.04 -0.46 -3.67 115.26 115.11 1xs8 n ASN 32 Ca -0.02 -1.71 0.00 0.00 -0.44 0.00 0.00 54.58 52.41 1xs8 n ASN 32 Cb 0.30 -0.05 0.00 0.00 -2.53 0.00 0.00 39.78 37.51 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 0.61 -0.49 -4.59 -3.83 1.02 -0.70 -4.47 120.64 108.19 1xs8 n GLU 33 Ca 0.17 -0.48 -0.22 0.00 -0.02 0.00 0.00 57.16 56.61 1xs8 n GLU 33 Cb 0.43 -0.90 -0.15 0.00 -0.02 0.00 0.00 31.44 30.80 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 -0.08 1.03 0.44 -3.67 -1.09 0.22 -0.59 121.20 117.46 1xs8 s ILE 34 Ca 0.00 -0.55 0.08 0.00 -2.23 0.00 0.00 60.65 57.95 1xs8 s ILE 34 Cb 0.00 -0.86 0.02 0.00 -1.58 0.00 0.00 42.46 40.04 1xs8 s ILE 34 CO 0.00 0.29 0.58 -0.55 -1.23 0.00 0.00 174.94 174.04 1xs8 s SER 35 N -0.26 5.55 0.46 3.58 0.15 -1.26 -4.00 113.70 117.92 1xs8 s SER 35 Ca 0.04 -0.50 0.13 0.00 0.70 0.00 0.00 55.95 56.33 1xs8 s SER 35 Cb -0.05 -0.53 1.07 0.00 -1.71 0.00 0.00 66.02 64.79 1xs8 s SER 35 CO -0.00 -0.83 2.04 0.50 1.20 0.00 0.00 173.24 176.16 1xs8 h LYS 36 N 0.61 0.31 -0.31 5.44 3.64 -1.93 0.15 116.57 124.48 1xs8 h LYS 36 Ca -0.39 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 58.80 1xs8 h LYS 36 Cb 1.28 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1xs8 h LYS 36 CO 0.45 0.21 -0.50 0.38 -2.27 0.00 0.00 179.45 177.72 1xs8 h ASP 37 N 0.32 0.97 0.33 4.20 2.03 -1.94 -1.24 116.42 121.10 1xs8 h ASP 37 Ca 0.17 -0.52 -0.31 0.00 -0.73 0.00 0.00 57.03 55.65 1xs8 h ASP 37 Cb 0.28 -0.28 0.03 0.00 -0.83 0.00 0.00 39.33 38.53 1xs8 h ASP 37 CO -0.04 1.31 -1.34 0.00 -1.03 0.00 0.00 179.24 178.14 1xs8 h ALA 38 N 0.70 -0.03 -0.09 4.15 0.00 -1.81 -2.40 119.26 119.78 1xs8 h ALA 38 Ca 0.02 -0.84 -0.00 0.00 0.00 0.00 0.00 54.91 54.09 1xs8 h ALA 38 Cb 1.11 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1xs8 h ALA 38 CO 0.11 0.77 0.05 2.35 0.00 0.00 0.00 179.25 182.53 1xs8 h TRP 39 N 0.16 0.12 -0.40 0.00 2.91 -0.74 -1.19 115.95 116.82 1xs8 h TRP 39 Ca -0.20 -0.00 -0.10 0.00 1.13 0.00 0.00 58.89 59.72 1xs8 h TRP 39 Cb 2.03 -0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 30.63 1xs8 h TRP 39 CO 0.11 0.14 -0.15 0.00 -1.03 0.00 0.00 178.44 177.51 1xs8 h ALA 40 N 0.96 0.99 0.12 2.65 0.00 -1.33 -0.84 119.26 121.82 1xs8 h ALA 40 Ca 0.03 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1xs8 h ALA 40 Cb 0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1xs8 h ALA 40 CO -0.01 0.60 -0.22 0.37 0.00 0.00 0.00 179.25 180.00 1xs8 h GLN 41 N 0.66 -0.39 0.09 0.00 5.75 -1.12 -1.38 115.11 118.72 1xs8 h GLN 41 Ca 0.11 0.03 -0.26 0.00 -0.15 0.00 0.00 58.65 58.38 1xs8 h GLN 41 Cb 0.63 0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.26 1xs8 h GLN 41 CO 0.04 -0.26 -1.16 2.35 -2.65 0.00 0.00 178.83 177.16 1xs8 h TRP 42 N -0.41 0.43 -0.76 3.99 -0.00 -1.13 -2.65 115.95 115.42 1xs8 h TRP 42 Ca 0.03 -0.30 -0.06 0.00 -0.00 0.00 0.00 58.89 58.56 1xs8 h TRP 42 Cb 0.43 -0.02 -0.03 0.00 -0.00 0.00 0.00 29.16 29.53 1xs8 h TRP 42 CO -0.20 1.21 0.25 1.96 -0.00 0.00 0.00 178.44 181.66 1xs8 h GLN 43 N 0.08 1.18 -0.21 2.65 4.20 -1.14 0.32 115.11 122.19 1xs8 h GLN 43 Ca -0.11 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.35 1xs8 h GLN 43 Cb 1.87 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 29.47 1xs8 h GLN 43 CO 0.19 0.99 0.09 1.25 -0.67 0.00 0.00 178.83 180.67 1xs8 h HIS 44 N 1.13 0.31 -0.31 2.96 2.76 -1.24 -1.18 115.15 119.59 1xs8 h HIS 44 Ca 0.25 -0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.28 1xs8 h HIS 44 Cb 0.29 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.15 1xs8 h HIS 44 CO 0.03 0.35 -0.25 -0.22 -1.30 0.00 0.00 177.93 176.54 1xs8 h LYS 45 N 0.19 0.71 -0.59 5.26 1.63 -1.28 -2.62 116.57 119.88 1xs8 h LYS 45 Ca 0.07 -0.35 -0.01 0.00 -0.85 0.00 0.00 60.65 59.51 1xs8 h LYS 45 Cb 0.16 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.77 1xs8 h LYS 45 CO -0.01 0.97 0.34 0.37 -3.45 0.00 0.00 179.45 177.67 1xs8 h GLN 46 N 0.47 0.81 -0.84 1.90 5.75 -0.32 0.16 115.11 123.04 1xs8 h GLN 46 Ca 0.06 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 1xs8 h GLN 46 Cb 0.81 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 29.15 1xs8 h GLN 46 CO 0.06 0.60 0.47 1.15 -2.65 0.00 0.00 178.83 178.46 1xs8 h THR 47 N 0.79 1.24 -0.34 2.39 2.02 -1.18 0.18 112.91 118.02 1xs8 h THR 47 Ca 0.21 -0.58 -0.12 0.00 0.77 0.00 0.00 66.41 66.69 1xs8 h THR 47 Cb 0.01 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 1xs8 h THR 47 CO -0.04 0.27 -0.28 -0.03 0.37 0.00 0.00 175.52 175.81 1xs8 h MET 48 N 1.17 0.70 -0.71 6.66 1.85 -1.01 -0.93 114.93 122.66 1xs8 h MET 48 Ca 0.30 -0.30 -0.04 0.00 -0.61 0.00 0.00 59.70 59.04 1xs8 h MET 48 Cb 0.01 -0.02 -0.03 0.00 0.43 0.00 0.00 31.60 31.98 1xs8 h MET 48 CO -0.05 0.90 0.28 -0.07 -0.40 0.00 0.00 176.91 177.57 1xs8 h LEU 49 N 0.61 0.99 -0.70 3.39 4.07 0.22 0.19 115.31 124.08 1xs8 h LEU 49 Ca 0.08 -0.18 -0.02 0.00 0.08 0.00 0.00 57.88 57.84 1xs8 h LEU 49 Cb 0.78 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 42.23 1xs8 h LEU 49 CO 0.06 0.90 0.35 0.40 -1.08 0.00 0.00 178.44 179.08 1xs8 h ILE 50 N 1.03 1.23 -0.35 1.22 2.04 -0.35 0.52 117.51 122.85 1xs8 h ILE 50 Ca 0.24 -0.61 -0.09 0.00 1.00 0.00 0.00 64.86 65.40 1xs8 h ILE 50 Cb 0.22 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 1xs8 h ILE 50 CO -0.02 0.26 -0.16 -1.13 0.00 0.00 0.00 178.15 177.10 1xs8 h ASN 51 N 0.97 0.62 0.08 1.72 -0.73 -0.78 0.10 115.58 117.56 1xs8 h ASN 51 Ca 0.24 -0.19 -0.11 0.00 1.87 0.00 0.00 56.30 58.12 1xs8 h ASN 51 Cb 0.09 -0.17 0.01 0.00 0.27 0.00 0.00 38.32 38.52 1xs8 h ASN 51 CO -0.03 0.80 -0.48 -0.33 -0.37 0.00 0.00 177.43 177.01 1xs8 h GLU 52 N 0.56 0.16 0.00 6.67 4.39 -0.17 -3.29 114.58 122.92 1xs8 h GLU 52 Ca 0.09 -0.28 -0.03 0.00 0.34 0.00 0.00 59.36 59.48 1xs8 h GLU 52 Cb 0.60 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1xs8 h GLU 52 CO 0.04 1.13 -0.15 0.87 -1.16 0.00 0.00 179.01 179.75 1xs8 h LYS 53 N -0.65 0.00 -5.89 2.33 1.57 -0.02 -3.47 116.57 110.43 1xs8 h LYS 53 Ca -0.09 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.29 1xs8 h LYS 53 Cb 1.36 0.00 0.12 0.00 0.08 0.00 0.00 32.23 33.79 1xs8 h LYS 53 CO 0.08 0.15 -0.71 1.63 -0.57 0.00 0.00 179.45 180.03 1xs8 n LYS 54 N -3.22 -7.37 -3.26 3.15 5.02 0.34 -4.97 118.16 107.85 1xs8 n LYS 54 Ca 0.01 0.79 -0.32 0.00 -2.02 0.00 0.00 58.31 56.78 1xs8 n LYS 54 Cb 0.45 -5.81 -0.05 0.00 -0.02 0.00 0.00 35.03 29.60 1xs8 n LYS 54 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1xs8 s LEU 55 N -7.15 4.09 -0.09 -0.35 0.05 -1.19 -5.06 118.68 108.98 1xs8 s LEU 55 Ca 0.49 1.05 0.01 0.00 0.05 0.00 0.00 54.13 55.73 1xs8 s LEU 55 Cb -0.22 -3.84 -0.02 0.00 -2.05 0.00 0.00 46.19 40.05 1xs8 s LEU 55 CO 0.75 -0.16 -0.11 0.20 -0.55 0.00 0.00 176.35 176.48 1xs8 s ASN 56 N -2.46 4.27 0.00 1.48 0.02 -1.26 -4.96 114.94 112.03 1xs8 s ASN 56 Ca 0.50 -0.19 0.25 0.00 -1.02 0.00 0.00 52.86 52.40 1xs8 s ASN 56 Cb -0.11 -1.27 1.45 0.00 0.02 0.00 0.00 41.25 41.34 1xs8 s ASN 56 CO 0.21 0.27 1.85 0.23 0.02 0.00 0.00 177.10 179.69 1xs8 n MET 57 N 2.81 0.70 0.21 -0.60 2.81 -1.26 -2.72 117.12 119.06 1xs8 n MET 57 Ca -0.18 0.01 0.05 0.00 -1.81 0.00 0.00 57.70 55.77 1xs8 n MET 57 Cb 0.53 -1.50 0.48 0.00 -0.71 0.00 0.00 33.22 32.01 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 0.00 0.03 -5.34 0.03 2.07 -1.98 -3.41 114.93 106.33 1xs8 h MET 58 Ca 0.00 -0.01 -0.62 0.00 -2.07 0.00 0.00 59.70 57.00 1xs8 h MET 58 Cb 0.05 -0.00 -0.14 0.00 -1.87 0.00 0.00 31.60 29.63 1xs8 h MET 58 CO 0.00 0.22 -0.53 -0.80 1.07 0.00 0.00 176.91 176.87 1xs8 s ASN 59 N -6.98 5.88 0.56 1.22 -0.87 -1.10 -4.99 114.94 108.66 1xs8 s ASN 59 Ca -0.04 0.17 0.24 0.00 -1.57 0.00 0.00 52.86 51.66 1xs8 s ASN 59 Cb 0.16 -1.99 1.58 0.00 -0.02 0.00 0.00 41.25 40.97 1xs8 s ASN 59 CO 0.70 0.21 2.20 0.00 -2.57 0.00 0.00 177.10 177.64 1xs8 h ALA 60 N 6.45 1.76 -0.09 0.60 0.00 -1.87 -1.32 119.26 124.78 1xs8 h ALA 60 Ca -0.41 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.51 1xs8 h ALA 60 Cb 1.17 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1xs8 h ALA 60 CO 0.71 -0.03 0.06 0.93 0.00 0.00 0.00 179.25 180.92 1xs8 h GLU 61 N 0.00 0.09 0.00 0.00 4.39 -1.94 -0.71 114.58 116.41 1xs8 h GLU 61 Ca 0.01 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xs8 h GLU 61 Cb 0.05 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1xs8 h GLU 61 CO -0.00 0.06 -0.92 0.72 -1.16 0.00 0.00 179.01 177.70 1xs8 n HIS 62 N -4.52 0.39 -0.03 4.33 8.25 -0.51 -2.09 115.22 121.03 1xs8 n HIS 62 Ca -0.01 0.11 -0.13 0.00 -0.26 0.00 0.00 57.72 57.42 1xs8 n HIS 62 Cb 0.11 -0.53 -0.11 0.00 1.12 0.00 0.00 29.99 30.58 1xs8 n HIS 62 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1xs8 h ARG 63 N 0.00 0.03 0.00 -0.41 9.65 -1.18 -1.57 114.38 120.89 1xs8 h ARG 63 Ca 0.00 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 58.82 1xs8 h ARG 63 Cb 0.76 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.33 1xs8 h ARG 63 CO 0.00 0.69 -0.20 1.57 2.80 0.00 0.00 179.97 184.82 1xs8 h LYS 64 N -0.63 0.00 -0.31 0.20 2.10 -1.27 -1.34 116.57 115.32 1xs8 h LYS 64 Ca -0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 1xs8 h LYS 64 Cb 0.69 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.01 1xs8 h LYS 64 CO 0.01 0.20 -0.01 1.25 -2.00 0.00 0.00 179.45 178.90 1xs8 h LEU 65 N 0.00 0.55 -0.49 7.07 7.12 -1.41 -0.17 115.31 127.98 1xs8 h LEU 65 Ca -0.00 -0.31 0.01 0.00 0.13 0.00 0.00 57.88 57.71 1xs8 h LEU 65 Cb 0.37 -0.15 -0.03 0.00 -0.53 0.00 0.00 40.66 40.32 1xs8 h LEU 65 CO 0.03 0.73 0.31 0.25 -0.13 0.00 0.00 178.44 179.62 1xs8 h LEU 66 N 0.35 0.53 -0.29 2.25 6.46 -0.59 0.12 115.31 124.14 1xs8 h LEU 66 Ca 0.09 -0.01 0.06 0.00 -0.12 0.00 0.00 57.88 57.90 1xs8 h LEU 66 Cb 0.45 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 40.20 1xs8 h LEU 66 CO 0.02 0.38 -0.07 -0.33 -0.62 0.00 0.00 178.44 177.81 1xs8 h GLU 67 N 0.63 0.00 0.54 1.25 3.07 -1.16 -1.90 114.58 117.01 1xs8 h GLU 67 Ca 0.19 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.03 1xs8 h GLU 67 Cb -0.04 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 1xs8 h GLU 67 CO -0.06 0.00 -0.48 1.96 -1.40 0.00 0.00 179.01 179.03 1xs8 h GLN 68 N 0.00 -0.96 -0.31 2.33 4.20 -0.04 -1.40 115.11 118.94 1xs8 h GLN 68 Ca 0.14 0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.93 1xs8 h GLN 68 Cb 0.21 0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1xs8 h GLN 68 CO -0.30 -0.64 0.18 0.93 -0.67 0.00 0.00 178.83 178.33 1xs8 h GLU 69 N -1.00 0.35 -0.19 1.46 5.08 -0.97 -0.85 114.58 118.46 1xs8 h GLU 69 Ca -0.07 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1xs8 h GLU 69 Cb 0.85 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1xs8 h GLU 69 CO -0.03 0.23 0.02 1.98 -1.00 0.00 0.00 179.01 180.21 1xs8 h MET 70 N 0.37 0.33 0.00 2.33 4.05 -1.34 -2.64 114.93 118.03 1xs8 h MET 70 Ca 0.12 -0.10 -0.07 0.00 -0.28 0.00 0.00 59.70 59.37 1xs8 h MET 70 Cb -0.00 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.75 1xs8 h MET 70 CO -0.06 0.51 -0.35 0.28 0.23 0.00 0.00 176.91 177.53 1xs8 h VAL 71 N 0.11 0.98 -0.25 -5.77 2.07 -1.13 -1.70 116.25 110.56 1xs8 h VAL 71 Ca 0.06 -1.33 -0.04 0.00 0.82 0.00 0.00 66.70 66.21 1xs8 h VAL 71 Cb 0.35 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1xs8 h VAL 71 CO 0.01 0.34 0.02 0.28 0.02 0.00 0.00 177.57 178.24 1xs8 h SER 72 N 0.00 0.41 0.28 0.57 0.02 -0.93 0.80 113.55 114.71 1xs8 h SER 72 Ca -0.00 -0.29 -0.34 0.00 -0.84 0.00 0.00 61.79 60.32 1xs8 h SER 72 Cb 0.75 -0.11 0.03 0.00 0.14 0.00 0.00 62.40 63.20 1xs8 h SER 72 CO 0.05 0.60 -1.55 0.15 -1.14 0.00 0.00 176.83 174.94 1xs8 h PHE 73 N 0.21 0.84 0.08 3.45 3.57 -1.31 -3.26 116.94 120.54 1xs8 h PHE 73 Ca 0.07 -0.62 -0.37 0.00 3.53 0.00 0.00 57.97 60.59 1xs8 h PHE 73 Cb 0.38 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 1xs8 h PHE 73 CO 0.03 1.57 -2.08 1.28 -2.23 0.00 0.00 178.31 176.87 1xs8 n LEU 74 N -3.65 2.66 -0.10 0.59 4.77 -0.65 -4.72 117.00 115.89 1xs8 n LEU 74 Ca -0.19 0.14 -0.16 0.00 -0.03 0.00 0.00 56.01 55.78 1xs8 n LEU 74 Cb 1.09 -1.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.04 1xs8 n LEU 74 CO 0.57 0.83 -1.14 0.33 -1.33 0.00 0.00 177.39 176.65 1xs8 n PHE 75 N -3.51 0.00 -1.23 -1.77 7.35 -0.67 -4.26 117.46 113.36 1xs8 n PHE 75 Ca -0.36 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.25 1xs8 n PHE 75 Cb 1.01 -0.72 -0.03 0.00 0.35 0.00 0.00 39.48 40.08 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 -3.30 -1.23 -0.95 -4.13 1.02 0.27 -4.86 120.64 107.46 1xs8 n GLU 76 Ca -0.35 0.72 -0.07 0.00 -0.02 0.00 0.00 57.16 57.44 1xs8 n GLU 76 Cb 0.83 -4.83 0.27 0.00 -0.02 0.00 0.00 31.44 27.70 1xs8 n GLU 76 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xs8 n GLY 77 N -0.66 3.49 3.22 0.62 0.00 -1.26 -4.89 105.19 105.71 1xs8 n GLY 77 Ca -0.08 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.77 1.31 0.00 1.61 0.00 -1.26 -5.03 119.74 113.60 1xs8 s LYS 78 Ca 0.50 -0.86 0.15 0.00 0.00 0.00 0.00 55.97 55.76 1xs8 s LYS 78 Cb 0.40 -1.38 0.17 0.00 0.00 0.00 0.00 37.83 37.02 1xs8 s LYS 78 CO 0.12 0.35 1.03 -0.40 0.00 0.00 0.00 175.35 176.46 1xs8 n ASP 79 N 1.97 2.41 -4.57 0.03 5.75 -1.26 -4.94 116.55 115.94 1xs8 n ASP 79 Ca -0.17 -1.68 -0.40 0.00 -0.01 0.00 0.00 54.79 52.52 1xs8 n ASP 79 Cb 0.54 -0.05 -0.03 0.00 -1.03 0.00 0.00 41.12 40.55 1xs8 n ASP 79 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1xs8 s VAL 80 N -1.20 3.44 0.09 2.12 1.01 -1.26 -4.93 120.40 119.67 1xs8 s VAL 80 Ca 0.20 0.36 -0.31 0.00 0.00 0.00 0.00 61.98 62.23 1xs8 s VAL 80 Cb 0.13 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.59 1xs8 s VAL 80 CO 0.19 -0.69 1.72 -1.38 0.00 0.00 0.00 175.10 174.93 1xs8 s HIS 81 N 8.04 2.32 -0.14 5.22 -3.43 -1.26 -4.99 115.29 121.05 1xs8 s HIS 81 Ca 0.72 0.20 -0.12 0.00 -0.80 0.00 0.00 55.06 55.05 1xs8 s HIS 81 Cb -0.16 -4.04 -0.05 0.00 -1.43 0.00 0.00 32.58 26.90 1xs8 s HIS 81 CO 0.27 -4.22 0.26 0.42 -2.00 0.00 0.00 174.74 169.47 1xs8 s ILE 82 N 2.69 5.31 -0.11 -5.38 1.01 -1.26 -4.94 121.20 118.52 1xs8 s ILE 82 Ca 0.76 0.49 0.07 0.00 0.00 0.00 0.00 60.65 61.97 1xs8 s ILE 82 Cb -0.42 -3.59 0.17 0.00 0.01 0.00 0.00 42.46 38.64 1xs8 s ILE 82 CO 0.34 0.45 1.18 -1.84 0.00 0.00 0.00 174.94 175.07 1xs8 n GLU 83 N 3.11 0.47 0.00 2.79 0.28 -1.26 -5.08 120.64 120.95 1xs8 n GLU 83 Ca -0.14 -1.24 0.00 0.00 -0.16 0.00 0.00 57.16 55.62 1xs8 n GLU 83 Cb 0.52 0.36 0.00 0.00 1.43 0.00 0.00 31.44 33.75 1xs8 n GLU 83 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xs8 n GLY 84 N -0.44 1.48 3.01 -1.84 0.00 -1.26 -4.66 105.19 101.47 1xs8 n GLY 84 Ca -0.21 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 1xs8 n GLY 84 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xs8 s TYR 85 N 0.00 3.44 -0.06 1.61 2.02 -1.26 -5.10 117.35 118.00 1xs8 s TYR 85 Ca 0.00 -2.71 0.02 0.00 -0.37 0.00 0.00 57.07 54.01 1xs8 s TYR 85 Cb 0.00 -2.56 -0.03 0.00 -0.40 0.00 0.00 41.96 38.98 1xs8 s TYR 85 CO 0.00 -0.92 -0.10 -0.08 -1.57 0.00 0.00 175.55 172.88 1xs8 s THR 86 N 1.02 3.42 -0.21 -0.71 -1.32 -1.26 -5.06 115.64 111.52 1xs8 s THR 86 Ca 0.06 -0.59 -0.29 0.00 -1.21 0.00 0.00 61.69 59.66 1xs8 s THR 86 Cb -0.19 -2.37 -0.06 0.00 -1.51 0.00 0.00 72.50 68.37 1xs8 s THR 86 CO -0.08 0.59 2.21 -2.65 -2.21 0.00 0.00 174.62 172.48 1xs8 n PRO 87 N 2.28 1.95 -2.73 7.08 -0.02 -1.26 -4.89 135.00 137.40 1xs8 n PRO 87 Ca -0.18 0.54 -0.43 0.00 -2.02 0.00 0.00 63.50 61.42 1xs8 n PRO 87 Cb 0.53 -3.17 -0.01 0.00 -0.02 0.00 0.00 33.50 30.83 1xs8 n PRO 87 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1xs8 s GLU 88 N 6.25 3.95 -0.09 -0.52 2.12 -1.26 -4.73 118.70 124.41 1xs8 s GLU 88 Ca 1.01 -2.08 -0.09 0.00 0.36 0.00 0.00 54.97 54.16 1xs8 s GLU 88 Cb -0.38 -5.31 -0.03 0.00 0.26 0.00 0.00 34.13 28.67 1xs8 s GLU 88 CO 0.37 -2.05 -0.18 -3.47 -0.54 0.00 0.00 175.26 169.39 1xs8 n ASP 89 N 7.36 1.03 -4.63 -1.70 2.03 -1.26 -4.90 116.55 114.48 1xs8 n ASP 89 Ca 0.41 0.20 -0.43 0.00 0.52 0.00 0.00 54.79 55.49 1xs8 n ASP 89 Cb 0.46 -0.63 -0.03 0.00 -0.72 0.00 0.00 41.12 40.20 1xs8 n ASP 89 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1xs8 s LYS 90 N -2.00 3.83 0.00 -0.67 2.20 -1.26 -5.35 119.74 116.49 1xs8 s LYS 90 Ca -0.15 1.73 0.00 0.00 -0.36 0.00 0.00 55.97 57.19 1xs8 s LYS 90 Cb 0.02 -4.03 0.00 0.00 -1.51 0.00 0.00 37.83 32.31 1xs8 s LYS 90 CO 0.22 -1.25 0.00 1.17 -0.36 0.00 0.00 175.35 175.13