#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 1.95 -3.42 6.12 3.41 -1.26 -4.89 113.62 115.53 1xs8 n SER 2 Ca 0.00 0.34 -0.22 0.00 -0.26 0.00 0.00 58.87 58.72 1xs8 n SER 2 Cb 0.00 -0.79 -0.10 0.00 -0.26 0.00 0.00 64.21 63.06 1xs8 n SER 2 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1xs8 s ARG 3 N -2.66 0.49 -0.24 4.33 3.52 -1.26 -5.02 118.95 118.12 1xs8 s ARG 3 Ca -0.35 -0.84 -0.29 0.00 -0.13 0.00 0.00 55.73 54.12 1xs8 s ARG 3 Cb 0.11 -0.95 -0.03 0.00 -1.56 0.00 0.00 34.95 32.52 1xs8 s ARG 3 CO 0.47 -1.15 1.72 0.99 -0.81 0.00 0.00 175.30 176.52 1xs8 s THR 4 N 1.57 3.55 0.24 4.11 2.01 -1.26 -1.77 115.64 124.10 1xs8 s THR 4 Ca 0.15 0.61 0.09 0.00 0.31 0.00 0.00 61.69 62.85 1xs8 s THR 4 Cb -0.18 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.67 1xs8 s THR 4 CO -0.12 -0.30 -0.16 0.27 -0.69 0.00 0.00 174.62 173.63 1xs8 s ILE 5 N 5.82 2.02 -0.77 1.82 -5.25 -0.31 -4.89 121.20 119.64 1xs8 s ILE 5 Ca 0.76 -2.28 -0.20 0.00 -0.99 0.00 0.00 60.65 57.95 1xs8 s ILE 5 Cb -0.26 -2.19 0.11 0.00 2.95 0.00 0.00 42.46 43.07 1xs8 s ILE 5 CO 0.32 -0.49 0.98 -0.36 -1.79 0.00 0.00 174.94 173.60 1xs8 s PHE 6 N -2.80 2.96 0.35 1.37 0.08 -1.26 -0.33 117.98 118.36 1xs8 s PHE 6 Ca 0.26 -1.04 -0.27 0.00 0.12 0.00 0.00 56.93 56.00 1xs8 s PHE 6 Cb -0.02 -4.22 -0.12 0.00 -0.57 0.00 0.00 43.02 38.09 1xs8 s PHE 6 CO 0.11 -1.49 1.15 0.00 -0.10 0.00 0.00 175.22 174.88 1xs8 h THR 8 N 2.13 1.17 0.17 0.00 1.35 -1.58 0.46 112.91 116.62 1xs8 h THR 8 Ca -0.44 -0.41 -0.29 0.00 -0.55 0.00 0.00 66.41 64.72 1xs8 h THR 8 Cb 1.31 -0.14 0.02 0.00 -1.73 0.00 0.00 68.15 67.61 1xs8 h THR 8 CO 0.60 0.22 -1.38 0.22 -0.25 0.00 0.00 175.52 174.94 1xs8 h TYR 9 N 1.20 0.66 0.13 4.73 3.20 -1.80 -3.37 116.97 121.73 1xs8 h TYR 9 Ca 0.37 -0.49 -0.29 0.00 3.14 0.00 0.00 58.73 61.47 1xs8 h TYR 9 Cb -0.01 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.24 1xs8 h TYR 9 CO -0.00 1.53 -1.35 -0.07 -1.64 0.00 0.00 178.16 176.63 1xs8 h LEU 10 N -0.11 0.44 0.84 2.82 3.38 -1.89 -3.47 115.31 117.31 1xs8 h LEU 10 Ca -0.27 -0.51 -0.36 0.00 0.09 0.00 0.00 57.88 56.83 1xs8 h LEU 10 Cb 1.91 -0.14 -0.14 0.00 0.09 0.00 0.00 40.66 42.38 1xs8 h LEU 10 CO 0.16 1.41 -0.33 0.00 0.09 0.00 0.00 178.44 179.77 1xs8 n GLN 11 N -3.52 -1.28 -4.53 1.13 1.13 0.16 -4.96 117.38 105.52 1xs8 n GLN 11 Ca -0.12 1.12 -0.26 0.00 -1.94 0.00 0.00 57.00 55.80 1xs8 n GLN 11 Cb 1.04 -5.39 -0.08 0.00 0.11 0.00 0.00 30.24 25.92 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 -3.48 1.92 -0.14 -1.09 0.52 -1.26 -4.88 118.95 110.54 1xs8 s ARG 12 Ca 0.00 -2.17 -0.29 0.00 -0.52 0.00 0.00 55.73 52.75 1xs8 s ARG 12 Cb 0.00 -0.73 -0.05 0.00 0.52 0.00 0.00 34.95 34.68 1xs8 s ARG 12 CO 0.00 -0.43 1.94 -0.51 0.02 0.00 0.00 175.30 176.32 1xs8 s ASP 13 N -3.62 6.06 0.33 0.23 1.11 -1.26 -2.96 116.67 116.57 1xs8 s ASP 13 Ca 0.24 2.04 0.03 0.00 0.18 0.00 0.00 52.55 55.04 1xs8 s ASP 13 Cb 0.03 -2.52 -0.04 0.00 1.07 0.00 0.00 42.92 41.46 1xs8 s ASP 13 CO 0.13 -1.45 0.13 0.00 1.18 0.00 0.00 175.17 175.16 1xs8 s ALA 14 N 6.11 2.29 -0.16 5.23 0.00 0.55 -4.96 121.76 130.82 1xs8 s ALA 14 Ca 0.87 -1.67 -0.08 0.00 0.00 0.00 0.00 51.96 51.08 1xs8 s ALA 14 Cb -0.33 0.94 -0.04 0.00 0.00 0.00 0.00 23.12 23.68 1xs8 s ALA 14 CO 0.35 -0.42 0.12 -2.00 0.00 0.00 0.00 175.76 173.81 1xs8 s GLU 15 N -3.82 3.77 0.11 0.00 2.56 -1.26 -1.16 118.70 118.90 1xs8 s GLU 15 Ca 0.33 -0.21 -0.31 0.00 0.00 0.00 0.00 54.97 54.77 1xs8 s GLU 15 Cb 0.05 -3.25 -0.08 0.00 2.00 0.00 0.00 34.13 32.84 1xs8 s GLU 15 CO 0.16 0.52 1.51 0.20 -0.56 0.00 0.00 175.26 177.09 1xs8 s GLY 16 N -0.30 1.73 -0.38 -1.50 0.00 -0.73 -4.36 107.32 101.77 1xs8 s GLY 16 Ca 0.11 1.20 -0.29 0.00 0.00 0.00 0.00 44.72 45.74 1xs8 s GLY 16 CO 0.01 2.58 1.24 1.20 0.00 0.00 0.00 173.10 178.13 1xs8 s GLN 17 N 1.57 3.81 -0.74 2.90 -1.52 -0.62 -4.77 119.66 120.30 1xs8 s GLN 17 Ca 0.68 0.95 -0.17 0.00 -1.95 0.00 0.00 55.36 54.87 1xs8 s GLN 17 Cb -0.39 -3.90 0.15 0.00 -0.22 0.00 0.00 33.01 28.65 1xs8 s GLN 17 CO 0.31 -1.26 0.80 -0.51 -0.25 0.00 0.00 175.29 174.38 1xs8 s ASP 18 N 2.76 6.46 -0.08 5.90 1.01 -1.26 -4.73 116.67 126.73 1xs8 s ASP 18 Ca 0.53 -1.98 -0.04 0.00 0.71 0.00 0.00 52.55 51.77 1xs8 s ASP 18 Cb -0.12 -2.29 0.04 0.00 1.01 0.00 0.00 42.92 41.56 1xs8 s ASP 18 CO 0.26 -0.92 0.18 -0.36 0.21 0.00 0.00 175.17 174.55 1xs8 s PHE 19 N 1.84 -0.23 -0.04 4.23 0.08 -1.26 -5.01 117.98 117.59 1xs8 s PHE 19 Ca 0.18 0.62 0.21 0.00 0.12 0.00 0.00 56.93 58.06 1xs8 s PHE 19 Cb -0.16 -0.07 0.38 0.00 -0.57 0.00 0.00 43.02 42.60 1xs8 s PHE 19 CO -0.02 -0.22 1.16 1.04 -0.10 0.00 0.00 175.22 177.08 1xs8 n GLN 20 N 4.48 0.31 0.00 0.44 1.13 -1.26 -4.65 117.38 117.83 1xs8 n GLN 20 Ca -0.21 -2.15 0.10 0.00 -1.94 0.00 0.00 57.00 52.80 1xs8 n GLN 20 Cb 0.52 -0.37 0.49 0.00 0.11 0.00 0.00 30.24 30.98 1xs8 n GLN 20 CO 0.00 0.00 0.00 1.47 -1.44 0.00 0.00 177.06 177.09 1xs8 n LEU 21 N 0.12 0.00 0.07 1.08 -0.00 -1.26 -4.46 117.00 112.56 1xs8 n LEU 21 Ca 0.08 0.32 0.00 0.00 -0.00 0.00 0.00 56.01 56.40 1xs8 n LEU 21 Cb 1.01 -0.32 0.00 0.00 -0.00 0.00 0.00 43.42 44.12 1xs8 n LEU 21 CO -0.03 -0.11 0.00 0.00 -0.00 0.00 0.00 177.39 177.25 1xs8 n TYR 22 N -1.32 -3.11 -2.25 1.47 9.36 -1.26 -5.15 117.16 114.90 1xs8 n TYR 22 Ca 0.09 0.51 -0.25 0.00 3.32 0.00 0.00 57.90 61.56 1xs8 n TYR 22 Cb 0.17 1.59 0.06 0.00 -0.63 0.00 0.00 39.34 40.53 1xs8 n TYR 22 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1xs8 s PRO 23 N -2.00 2.25 0.00 2.98 0.04 -1.26 -5.08 135.00 131.93 1xs8 s PRO 23 Ca 0.00 -0.30 0.00 0.00 0.04 0.00 0.00 61.00 60.74 1xs8 s PRO 23 Cb 0.00 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1xs8 s PRO 23 CO 0.00 -1.17 0.00 0.41 0.04 0.00 0.00 177.00 176.28 1xs8 n GLY 24 N -2.85 1.17 0.39 0.56 0.00 -1.26 -4.55 105.19 98.65 1xs8 n GLY 24 Ca 0.08 -0.09 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.89 -0.20 1.61 4.22 -1.99 -0.78 114.58 116.54 1xs8 h GLU 25 Ca 0.00 0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.49 1xs8 h GLU 25 Cb 0.00 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1xs8 h GLU 25 CO 0.00 -0.59 0.07 1.25 -2.18 0.00 0.00 179.01 177.55 1xs8 h LEU 26 N -0.93 0.25 0.77 1.64 5.85 -1.98 0.13 115.31 121.05 1xs8 h LEU 26 Ca -0.08 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 1xs8 h LEU 26 Cb 0.73 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.70 1xs8 h LEU 26 CO 0.12 0.25 -0.37 1.23 -0.34 0.00 0.00 178.44 179.32 1xs8 h GLY 27 N 0.44 -1.09 1.24 3.75 0.00 -1.75 -2.20 103.07 103.45 1xs8 h GLY 27 Ca 0.07 0.41 0.04 0.00 0.00 0.00 0.00 47.33 47.85 1xs8 h GLY 27 CO -0.01 -0.40 0.42 0.50 0.00 0.00 0.00 176.54 177.06 1xs8 h LYS 28 N -1.04 0.71 -0.72 4.80 1.57 -0.87 0.88 116.57 121.90 1xs8 h LYS 28 Ca -0.11 -0.04 0.12 0.00 -1.87 0.00 0.00 60.65 58.75 1xs8 h LYS 28 Cb 0.80 -0.16 -0.08 0.00 0.08 0.00 0.00 32.23 32.87 1xs8 h LYS 28 CO 0.17 0.47 0.30 -0.09 -0.57 0.00 0.00 179.45 179.73 1xs8 h ARG 29 N 0.73 0.47 0.23 3.15 2.43 -0.61 0.11 114.38 120.89 1xs8 h ARG 29 Ca 0.26 -0.03 -0.31 0.00 -0.81 0.00 0.00 59.98 59.09 1xs8 h ARG 29 Cb 0.11 -0.11 0.04 0.00 -0.42 0.00 0.00 29.97 29.59 1xs8 h ARG 29 CO -0.07 0.31 -1.38 0.82 -1.51 0.00 0.00 179.97 178.14 1xs8 h ILE 30 N 0.48 1.31 0.00 1.20 2.04 -0.67 -3.32 117.51 118.55 1xs8 h ILE 30 Ca 0.38 -2.66 0.00 0.00 1.00 0.00 0.00 64.86 63.58 1xs8 h ILE 30 Cb 0.51 3.07 0.00 0.00 -0.74 0.00 0.00 36.82 39.66 1xs8 h ILE 30 CO -0.35 0.79 0.00 -1.22 0.00 0.00 0.00 178.15 177.37 1xs8 n TYR 31 N -3.79 0.00 0.10 1.37 4.01 0.21 0.41 117.16 119.48 1xs8 n TYR 31 Ca -0.17 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.65 1xs8 n TYR 31 Cb 1.06 -0.44 0.00 0.00 -0.31 0.00 0.00 39.34 39.64 1xs8 n TYR 31 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 1xs8 h ASN 32 N 0.00 0.00 0.00 7.72 -0.26 -0.91 -1.65 115.58 120.49 1xs8 h ASN 32 Ca 0.00 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.60 1xs8 h ASN 32 Cb 0.25 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.48 1xs8 h ASN 32 CO 0.00 0.18 -1.91 -0.62 -1.06 0.00 0.00 177.43 174.02 1xs8 n GLU 33 N -2.82 0.96 -5.00 0.81 -0.58 -0.29 -4.87 120.64 108.84 1xs8 n GLU 33 Ca -0.02 -0.08 -0.32 0.00 -0.42 0.00 0.00 57.16 56.31 1xs8 n GLU 33 Cb 0.63 -1.40 -0.14 0.00 -0.57 0.00 0.00 31.44 29.96 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 -2.79 2.76 0.06 -3.67 -1.09 0.17 -1.59 121.20 115.04 1xs8 s ILE 34 Ca -0.07 -0.83 0.00 0.00 -2.23 0.00 0.00 60.65 57.52 1xs8 s ILE 34 Cb 0.08 -2.06 0.00 0.00 -1.58 0.00 0.00 42.46 38.90 1xs8 s ILE 34 CO 0.67 0.58 0.02 -1.20 -1.23 0.00 0.00 174.94 173.78 1xs8 n SER 35 N 2.49 1.67 -0.01 3.58 7.64 -1.26 -3.98 113.62 123.75 1xs8 n SER 35 Ca -0.17 -1.23 -0.09 0.00 1.01 0.00 0.00 58.87 58.39 1xs8 n SER 35 Cb 0.52 0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 63.71 1xs8 n SER 35 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1xs8 h LYS 36 N 0.00 -0.16 0.15 1.43 1.79 -1.96 -0.94 116.57 116.88 1xs8 h LYS 36 Ca -0.04 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.45 1xs8 h LYS 36 Cb 0.14 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 1xs8 h LYS 36 CO 0.07 -0.11 -0.20 0.22 -1.08 0.00 0.00 179.45 178.35 1xs8 h ASP 37 N -0.17 -0.56 -0.31 0.86 1.82 -1.96 0.95 116.42 117.05 1xs8 h ASP 37 Ca 0.10 0.06 -0.12 0.00 -0.39 0.00 0.00 57.03 56.68 1xs8 h ASP 37 Cb 0.30 0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.51 1xs8 h ASP 37 CO -0.24 -0.29 -0.26 0.00 -1.61 0.00 0.00 179.24 176.84 1xs8 h ALA 38 N 0.37 0.45 0.04 -0.78 0.00 -1.94 -2.71 119.26 114.69 1xs8 h ALA 38 Ca 0.02 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1xs8 h ALA 38 Cb 0.41 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1xs8 h ALA 38 CO -0.09 0.45 -0.02 2.35 0.00 0.00 0.00 179.25 181.94 1xs8 h TRP 39 N 0.49 -0.05 -0.65 0.00 2.91 -1.00 -1.95 115.95 115.71 1xs8 h TRP 39 Ca 0.06 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.07 1xs8 h TRP 39 Cb 0.82 0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 29.45 1xs8 h TRP 39 CO 0.07 0.32 0.38 0.00 -1.03 0.00 0.00 178.44 178.18 1xs8 h ALA 40 N 0.53 0.82 -0.24 2.65 0.00 -0.88 -1.41 119.26 120.74 1xs8 h ALA 40 Ca -0.01 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1xs8 h ALA 40 Cb 0.38 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1xs8 h ALA 40 CO 0.01 0.31 -0.17 1.96 0.00 0.00 0.00 179.25 181.35 1xs8 h GLN 41 N 0.88 0.54 0.07 0.00 4.20 -1.50 -1.64 115.11 117.66 1xs8 h GLN 41 Ca 0.23 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1xs8 h GLN 41 Cb -0.01 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1xs8 h GLN 41 CO -0.04 0.83 -0.03 2.35 -0.67 0.00 0.00 178.83 181.27 1xs8 h TRP 42 N 0.24 -0.09 -0.72 2.96 -0.00 -1.18 0.63 115.95 117.81 1xs8 h TRP 42 Ca 0.05 -0.00 -0.04 0.00 -0.00 0.00 0.00 58.89 58.89 1xs8 h TRP 42 Cb 0.70 0.03 -0.03 0.00 -0.00 0.00 0.00 29.16 29.86 1xs8 h TRP 42 CO 0.07 0.04 0.29 1.96 -0.00 0.00 0.00 178.44 180.80 1xs8 h GLN 43 N -0.19 1.06 -0.68 2.65 1.08 -1.30 0.15 115.11 117.88 1xs8 h GLN 43 Ca -0.01 -0.18 -0.06 0.00 -1.45 0.00 0.00 58.65 56.95 1xs8 h GLN 43 Cb 0.16 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.39 1xs8 h GLN 43 CO 0.02 0.86 0.20 1.25 -0.95 0.00 0.00 178.83 180.20 1xs8 h HIS 44 N 1.04 1.11 -0.28 2.96 2.76 -1.14 -0.37 115.15 121.24 1xs8 h HIS 44 Ca 0.24 -0.12 -0.03 0.00 -2.20 0.00 0.00 60.37 58.26 1xs8 h HIS 44 Cb 0.19 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 28.82 1xs8 h HIS 44 CO 0.02 0.90 0.06 -0.22 -1.30 0.00 0.00 177.93 177.39 1xs8 h LYS 45 N 1.00 0.45 -0.72 5.26 1.63 -0.00 -2.02 116.57 122.18 1xs8 h LYS 45 Ca 0.22 -0.11 -0.01 0.00 -0.85 0.00 0.00 60.65 59.89 1xs8 h LYS 45 Cb 0.32 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.86 1xs8 h LYS 45 CO -0.00 0.55 0.40 0.37 -3.45 0.00 0.00 179.45 177.32 1xs8 h GLN 46 N 0.28 0.99 -0.82 1.90 5.75 -0.59 -2.06 115.11 120.57 1xs8 h GLN 46 Ca 0.09 -0.11 0.04 0.00 -0.15 0.00 0.00 58.65 58.52 1xs8 h GLN 46 Cb 0.31 -0.20 -0.05 0.00 1.07 0.00 0.00 27.48 28.61 1xs8 h GLN 46 CO 0.00 0.74 0.54 1.15 -2.65 0.00 0.00 178.83 178.61 1xs8 h THR 47 N 0.98 1.11 -0.70 2.39 2.02 -0.88 -0.27 112.91 117.56 1xs8 h THR 47 Ca 0.25 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 67.04 1xs8 h THR 47 Cb 0.03 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.45 1xs8 h THR 47 CO -0.04 0.18 0.23 -0.03 0.37 0.00 0.00 175.52 176.23 1xs8 h MET 48 N 0.99 1.08 -0.06 6.66 1.85 -0.68 -0.41 114.93 124.35 1xs8 h MET 48 Ca 0.33 -0.22 -0.11 0.00 -0.61 0.00 0.00 59.70 59.09 1xs8 h MET 48 Cb 0.08 -0.16 -0.01 0.00 0.43 0.00 0.00 31.60 31.94 1xs8 h MET 48 CO -0.10 0.92 -0.45 -0.07 -0.40 0.00 0.00 176.91 176.81 1xs8 h LEU 49 N 1.02 0.14 -0.83 3.39 4.07 -0.88 -0.17 115.31 122.04 1xs8 h LEU 49 Ca 0.23 -0.06 -0.08 0.00 0.08 0.00 0.00 57.88 58.05 1xs8 h LEU 49 Cb 0.28 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 1xs8 h LEU 49 CO -0.01 0.57 0.00 0.40 -1.08 0.00 0.00 178.44 178.32 1xs8 h ILE 50 N 0.11 1.25 -0.13 1.22 2.04 -0.42 0.37 117.51 121.96 1xs8 h ILE 50 Ca 0.01 -1.05 -0.15 0.00 1.00 0.00 0.00 64.86 64.67 1xs8 h ILE 50 Cb 0.84 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1xs8 h ILE 50 CO 0.06 0.37 -0.56 0.78 0.00 0.00 0.00 178.15 178.81 1xs8 h ASN 51 N 0.81 0.44 0.29 1.72 -0.26 -0.53 0.51 115.58 118.56 1xs8 h ASN 51 Ca 0.15 -0.23 -0.01 0.00 -0.56 0.00 0.00 56.30 55.65 1xs8 h ASN 51 Cb 0.48 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.62 1xs8 h ASN 51 CO 0.02 0.90 -0.14 -0.08 -1.06 0.00 0.00 177.43 177.08 1xs8 h GLU 52 N 0.30 -0.38 0.00 0.81 4.81 -0.74 -3.34 114.58 116.04 1xs8 h GLU 52 Ca 0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1xs8 h GLU 52 Cb 1.07 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1xs8 h GLU 52 CO 0.10 -0.05 -0.64 1.63 -0.73 0.00 0.00 179.01 179.32 1xs8 n LYS 53 N -5.06 0.16 -3.07 1.92 5.02 0.10 -5.00 118.16 112.24 1xs8 n LYS 53 Ca -0.08 0.03 -0.06 0.00 -2.02 0.00 0.00 58.31 56.19 1xs8 n LYS 53 Cb 0.26 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 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 -1.82 -1.69 -4.34 1.97 5.02 0.17 -5.04 118.16 112.43 1xs8 n LYS 54 Ca 0.04 1.64 -0.23 0.00 -2.02 0.00 0.00 58.31 57.74 1xs8 n LYS 54 Cb 0.39 -5.35 -0.11 0.00 -0.02 0.00 0.00 35.03 29.94 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 -3.59 2.43 -0.01 -0.35 0.05 -1.21 -5.07 118.68 110.93 1xs8 s LEU 55 Ca 0.09 -0.86 0.04 0.00 0.05 0.00 0.00 54.13 53.46 1xs8 s LEU 55 Cb -0.02 -0.88 -0.03 0.00 -2.05 0.00 0.00 46.19 43.21 1xs8 s LEU 55 CO 0.77 -0.01 -0.13 0.20 -0.55 0.00 0.00 176.35 176.63 1xs8 s ASN 56 N -2.64 4.16 0.00 1.48 0.02 -1.26 -4.98 114.94 111.71 1xs8 s ASN 56 Ca 0.16 -0.23 0.14 0.00 -1.02 0.00 0.00 52.86 51.91 1xs8 s ASN 56 Cb -0.06 -0.86 0.59 0.00 0.02 0.00 0.00 41.25 40.94 1xs8 s ASN 56 CO 0.07 0.31 1.42 0.23 0.02 0.00 0.00 177.10 179.14 1xs8 n MET 57 N 1.90 1.46 0.02 -0.60 2.81 -1.26 -3.47 117.12 117.98 1xs8 n MET 57 Ca -0.16 -0.71 0.13 0.00 -1.81 0.00 0.00 57.70 55.15 1xs8 n MET 57 Cb 0.52 -1.27 0.54 0.00 -0.71 0.00 0.00 33.22 32.30 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 -0.01 0.04 -4.12 0.03 2.81 -1.26 -4.48 117.12 110.13 1xs8 n MET 58 Ca 0.12 0.08 -0.33 0.00 -1.81 0.00 0.00 57.70 55.76 1xs8 n MET 58 Cb 0.21 -1.55 -0.07 0.00 -0.71 0.00 0.00 33.22 31.09 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 -3.23 5.58 0.54 7.83 0.01 -1.23 -5.00 114.94 119.45 1xs8 s ASN 59 Ca 0.12 0.11 0.23 0.00 -0.71 0.00 0.00 52.86 52.62 1xs8 s ASN 59 Cb 0.16 -1.57 1.49 0.00 0.41 0.00 0.00 41.25 41.74 1xs8 s ASN 59 CO 0.49 0.26 2.16 0.00 -1.51 0.00 0.00 177.10 178.51 1xs8 h ALA 60 N 4.07 1.64 -0.52 0.60 0.00 -1.91 -2.06 119.26 121.08 1xs8 h ALA 60 Ca -0.49 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.46 1xs8 h ALA 60 Cb 1.18 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.86 1xs8 h ALA 60 CO 0.62 0.06 -0.41 0.93 0.00 0.00 0.00 179.25 180.45 1xs8 h GLU 61 N 0.00 -0.24 0.00 0.00 5.08 -1.94 -1.45 114.58 116.03 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 0.10 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1xs8 h GLU 61 CO 0.01 -0.16 -1.29 0.72 -1.00 0.00 0.00 179.01 177.29 1xs8 n HIS 62 N -5.41 0.53 -0.16 4.33 8.25 -0.99 -2.46 115.22 119.31 1xs8 n HIS 62 Ca 0.01 0.15 -0.09 0.00 -0.26 0.00 0.00 57.72 57.54 1xs8 n HIS 62 Cb 0.35 -0.71 0.01 0.00 1.12 0.00 0.00 29.99 30.76 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 0.72 0.00 -0.41 1.12 -1.11 0.15 114.38 114.85 1xs8 h ARG 63 Ca 0.00 -0.14 -0.15 0.00 -1.11 0.00 0.00 59.98 58.58 1xs8 h ARG 63 Cb 0.94 -0.11 -0.02 0.00 -0.01 0.00 0.00 29.97 30.76 1xs8 h ARG 63 CO 0.00 0.66 -0.71 1.57 -3.11 0.00 0.00 179.97 178.38 1xs8 h LYS 64 N 0.62 0.00 0.42 0.20 2.10 -1.35 -1.66 116.57 116.90 1xs8 h LYS 64 Ca 0.16 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.80 1xs8 h LYS 64 Cb 0.22 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.53 1xs8 h LYS 64 CO -0.01 0.71 -0.40 1.25 -2.00 0.00 0.00 179.45 179.00 1xs8 h LEU 65 N 0.00 -1.07 -0.92 7.07 5.85 -1.12 0.15 115.31 125.26 1xs8 h LEU 65 Ca -0.01 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1xs8 h LEU 65 Cb 1.30 0.36 -0.04 0.00 0.37 0.00 0.00 40.66 42.64 1xs8 h LEU 65 CO 0.09 -0.55 0.53 0.25 -0.34 0.00 0.00 178.44 178.42 1xs8 h LEU 66 N -0.83 1.13 -0.03 2.25 6.46 -0.99 -0.48 115.31 122.82 1xs8 h LEU 66 Ca -0.04 -0.09 0.03 0.00 -0.12 0.00 0.00 57.88 57.66 1xs8 h LEU 66 Cb 0.73 -0.29 -0.06 0.00 -0.73 0.00 0.00 40.66 40.32 1xs8 h LEU 66 CO -0.05 0.89 -0.52 -0.08 -0.62 0.00 0.00 178.44 178.06 1xs8 h GLU 67 N 1.29 -0.62 0.65 1.25 4.57 -1.00 0.25 114.58 120.98 1xs8 h GLU 67 Ca 0.33 0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.52 1xs8 h GLU 67 Cb -0.01 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1xs8 h GLU 67 CO -0.06 -0.41 -0.46 1.96 -1.18 0.00 0.00 179.01 178.87 1xs8 h GLN 68 N -0.64 -1.02 -0.58 1.92 4.20 -0.35 -2.88 115.11 115.77 1xs8 h GLN 68 Ca 0.03 0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1xs8 h GLN 68 Cb 0.71 0.23 -0.03 0.00 0.30 0.00 0.00 27.48 28.69 1xs8 h GLN 68 CO -0.37 -0.68 0.32 0.93 -0.67 0.00 0.00 178.83 178.36 1xs8 h GLU 69 N -1.06 0.80 0.89 1.46 4.39 -1.01 -1.20 114.58 118.85 1xs8 h GLU 69 Ca -0.09 -0.09 -0.04 0.00 0.34 0.00 0.00 59.36 59.48 1xs8 h GLU 69 Cb 0.87 -0.16 0.01 0.00 -0.10 0.00 0.00 28.75 29.36 1xs8 h GLU 69 CO 0.05 0.60 -0.43 1.98 -1.16 0.00 0.00 179.01 180.06 1xs8 h MET 70 N 0.78 -1.15 0.00 2.33 4.05 -0.53 0.16 114.93 120.56 1xs8 h MET 70 Ca 0.20 0.08 -0.02 0.00 -0.28 0.00 0.00 59.70 59.68 1xs8 h MET 70 Cb 0.03 0.26 -0.00 0.00 -0.80 0.00 0.00 31.60 31.09 1xs8 h MET 70 CO -0.03 -0.76 -0.11 0.28 0.23 0.00 0.00 176.91 176.52 1xs8 h VAL 71 N -1.25 0.35 0.13 -5.77 2.07 -1.51 -1.57 116.25 108.70 1xs8 h VAL 71 Ca -0.12 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1xs8 h VAL 71 Cb 0.92 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1xs8 h VAL 71 CO 0.20 0.11 -0.06 -1.28 0.02 0.00 0.00 177.57 176.55 1xs8 h SER 72 N 0.00 -0.15 0.24 0.57 0.87 -0.95 -0.13 113.55 113.99 1xs8 h SER 72 Ca -0.00 -0.37 -0.03 0.00 -1.23 0.00 0.00 61.79 60.15 1xs8 h SER 72 Cb 0.47 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1xs8 h SER 72 CO 0.01 0.44 -0.16 0.15 -0.53 0.00 0.00 176.83 176.74 1xs8 h PHE 73 N -0.91 0.00 0.00 2.24 3.57 -0.53 0.53 116.94 121.84 1xs8 h PHE 73 Ca -0.02 0.00 -0.28 0.00 3.53 0.00 0.00 57.97 61.20 1xs8 h PHE 73 Cb 0.51 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.20 1xs8 h PHE 73 CO 0.09 0.16 -1.93 1.28 -2.23 0.00 0.00 178.31 175.68 1xs8 n LEU 74 N -4.08 0.47 -0.03 0.59 4.77 -0.61 -4.69 117.00 113.43 1xs8 n LEU 74 Ca -0.02 0.22 -0.05 0.00 -0.03 0.00 0.00 56.01 56.13 1xs8 n LEU 74 Cb 0.24 0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 1xs8 n LEU 74 CO 0.34 0.36 -0.68 0.49 -1.33 0.00 0.00 177.39 176.57 1xs8 n PHE 75 N -2.84 0.00 -2.29 -1.77 3.01 -0.08 -4.42 117.46 109.07 1xs8 n PHE 75 Ca -0.21 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.21 1xs8 n PHE 75 Cb 1.02 -0.20 -0.03 0.00 -0.01 0.00 0.00 39.48 40.25 1xs8 n PHE 75 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1xs8 n GLU 76 N -2.88 -3.56 0.00 -1.08 -0.58 0.18 -5.00 120.64 107.74 1xs8 n GLU 76 Ca -0.10 2.78 0.00 0.00 -0.42 0.00 0.00 57.16 59.42 1xs8 n GLU 76 Cb 0.59 -4.05 0.00 0.00 -0.57 0.00 0.00 31.44 27.41 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 1.30 0.58 3.87 0.62 0.00 -1.26 -5.07 105.19 105.24 1xs8 n GLY 77 Ca -0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 1xs8 n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xs8 s LYS 78 N 0.00 1.67 0.07 1.61 1.02 -1.26 -4.99 119.74 117.86 1xs8 s LYS 78 Ca 0.00 0.13 0.18 0.00 0.02 0.00 0.00 55.97 56.30 1xs8 s LYS 78 Cb 0.00 -1.91 -0.13 0.00 -0.52 0.00 0.00 37.83 35.27 1xs8 s LYS 78 CO 0.00 -1.80 0.82 -0.25 -0.92 0.00 0.00 175.35 173.20 1xs8 n ASP 79 N -3.46 0.81 -4.64 2.83 8.00 -1.26 -4.76 116.55 114.07 1xs8 n ASP 79 Ca 0.08 0.35 -0.43 0.00 0.71 0.00 0.00 54.79 55.50 1xs8 n ASP 79 Cb 0.60 0.29 -0.02 0.00 -0.02 0.00 0.00 41.12 41.97 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 -3.00 4.55 -0.02 2.53 1.01 -1.26 -5.01 120.40 119.21 1xs8 s VAL 80 Ca -0.03 1.70 -0.30 0.00 0.00 0.00 0.00 61.98 63.36 1xs8 s VAL 80 Cb 0.09 -4.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 1xs8 s VAL 80 CO 0.81 -0.43 0.97 -1.00 0.00 0.00 0.00 175.10 175.45 1xs8 s HIS 81 N 3.54 3.63 -0.89 5.22 3.76 -1.26 -4.99 115.29 124.31 1xs8 s HIS 81 Ca 0.44 1.66 -0.13 0.00 -0.15 0.00 0.00 55.06 56.88 1xs8 s HIS 81 Cb -0.13 -3.11 0.23 0.00 1.11 0.00 0.00 32.58 30.68 1xs8 s HIS 81 CO 0.14 -0.04 0.84 0.42 -0.85 0.00 0.00 174.74 175.25 1xs8 s ILE 82 N 1.14 5.70 0.00 0.60 1.01 -1.26 -4.46 121.20 123.93 1xs8 s ILE 82 Ca 0.51 -2.67 0.00 0.00 0.00 0.00 0.00 60.65 58.49 1xs8 s ILE 82 Cb -0.20 -4.50 0.00 0.00 0.01 0.00 0.00 42.46 37.77 1xs8 s ILE 82 CO 0.26 -1.06 0.00 -1.84 0.00 0.00 0.00 174.94 172.30 1xs8 n GLU 83 N 3.71 0.00 -4.15 2.79 0.28 -1.26 -5.08 120.64 116.93 1xs8 n GLU 83 Ca 0.16 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.93 1xs8 n GLU 83 Cb 0.45 -0.23 -0.17 0.00 1.43 0.00 0.00 31.44 32.93 1xs8 n GLU 83 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1xs8 s GLY 84 N -1.92 0.60 -1.20 -1.84 0.00 -1.26 -5.07 107.32 96.64 1xs8 s GLY 84 Ca 0.00 -0.24 -0.18 0.00 0.00 0.00 0.00 44.72 44.30 1xs8 s GLY 84 CO 0.00 0.54 1.55 -0.19 0.00 0.00 0.00 173.10 175.00 1xs8 s TYR 85 N 1.16 2.97 -0.34 1.90 2.02 -1.26 -4.96 117.35 118.85 1xs8 s TYR 85 Ca -0.07 -1.62 -0.29 0.00 -0.37 0.00 0.00 57.07 54.72 1xs8 s TYR 85 Cb -0.14 -4.58 0.00 0.00 -0.40 0.00 0.00 41.96 36.84 1xs8 s TYR 85 CO -0.01 -1.69 1.36 0.99 -1.57 0.00 0.00 175.55 174.63 1xs8 s THR 86 N 3.47 4.03 -0.20 -0.71 2.01 -1.26 -4.89 115.64 118.09 1xs8 s THR 86 Ca 0.48 1.13 0.19 0.00 0.31 0.00 0.00 61.69 63.79 1xs8 s THR 86 Cb 0.01 -4.15 -0.02 0.00 0.01 0.00 0.00 72.50 68.35 1xs8 s THR 86 CO 0.01 -0.57 1.06 1.55 -0.69 0.00 0.00 174.62 175.99 1xs8 h PRO 87 N 9.87 0.00 -3.61 4.92 0.13 -2.01 -3.48 132.00 137.82 1xs8 h PRO 87 Ca -0.27 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.70 1xs8 h PRO 87 Cb 1.10 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.02 1xs8 h PRO 87 CO 1.05 0.19 -0.55 -1.21 -0.23 0.00 0.00 178.00 177.25 1xs8 s GLU 88 N -3.11 0.40 -0.25 0.86 2.02 -1.26 -5.02 118.70 112.33 1xs8 s GLU 88 Ca -0.00 -0.37 -0.03 0.00 0.02 0.00 0.00 54.97 54.58 1xs8 s GLU 88 Cb 0.08 0.16 0.00 0.00 0.10 0.00 0.00 34.13 34.48 1xs8 s GLU 88 CO 0.78 -0.09 0.11 -3.47 0.02 0.00 0.00 175.26 172.62 1xs8 n ASP 89 N 1.70 -6.52 -4.75 -0.19 2.03 -1.26 -4.96 116.55 102.60 1xs8 n ASP 89 Ca -0.22 0.91 -0.41 0.00 0.52 0.00 0.00 54.79 55.60 1xs8 n ASP 89 Cb 0.56 -4.28 -0.03 0.00 -0.72 0.00 0.00 41.12 36.65 1xs8 n ASP 89 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1xs8 s LYS 90 N -1.48 4.45 0.00 -0.67 1.02 -1.26 -5.06 119.74 116.74 1xs8 s LYS 90 Ca 0.05 2.03 0.29 0.00 0.02 0.00 0.00 55.97 58.35 1xs8 s LYS 90 Cb -0.01 -3.16 1.29 0.00 -0.52 0.00 0.00 37.83 35.43 1xs8 s LYS 90 CO 0.59 -0.12 1.88 1.63 -0.92 0.00 0.00 175.35 178.41