#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 7.06 -0.05 6.12 0.01 -1.26 -4.99 113.70 120.60 1xs8 s SER 2 Ca 0.00 1.95 -0.28 0.00 1.31 0.00 0.00 55.95 58.93 1xs8 s SER 2 Cb 0.00 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 1xs8 s SER 2 CO 0.00 -0.52 0.92 -0.60 0.41 0.00 0.00 173.24 173.46 1xs8 s ARG 3 N 1.49 4.49 -0.59 12.44 6.06 -1.26 -4.98 118.95 136.60 1xs8 s ARG 3 Ca 0.58 1.29 -0.23 0.00 -2.50 0.00 0.00 55.73 54.86 1xs8 s ARG 3 Cb -0.28 -3.48 0.05 0.00 0.06 0.00 0.00 34.95 31.30 1xs8 s ARG 3 CO 0.27 -0.11 0.95 0.95 -2.50 0.00 0.00 175.30 174.86 1xs8 s THR 4 N 1.27 4.37 0.42 4.11 -4.23 -1.26 -2.27 115.64 118.04 1xs8 s THR 4 Ca 0.48 0.04 0.08 0.00 -1.18 0.00 0.00 61.69 61.11 1xs8 s THR 4 Cb -0.20 -4.59 -0.00 0.00 1.34 0.00 0.00 72.50 69.05 1xs8 s THR 4 CO 0.23 -1.24 0.48 0.27 -0.54 0.00 0.00 174.62 173.82 1xs8 s ILE 5 N 3.99 2.83 -0.58 2.99 -5.25 0.69 -4.78 121.20 121.08 1xs8 s ILE 5 Ca 0.27 -1.17 -0.15 0.00 -0.99 0.00 0.00 60.65 58.62 1xs8 s ILE 5 Cb -0.14 -3.00 0.14 0.00 2.95 0.00 0.00 42.46 42.42 1xs8 s ILE 5 CO 0.16 0.00 0.53 -0.36 -1.79 0.00 0.00 174.94 173.48 1xs8 s PHE 6 N -2.41 3.35 0.23 1.37 0.08 -1.26 -0.01 117.98 119.33 1xs8 s PHE 6 Ca 0.52 -1.47 -0.30 0.00 0.12 0.00 0.00 56.93 55.79 1xs8 s PHE 6 Cb -0.07 -3.77 -0.10 0.00 -0.57 0.00 0.00 43.02 38.52 1xs8 s PHE 6 CO 0.30 -1.01 1.45 0.00 -0.10 0.00 0.00 175.22 175.86 1xs8 h THR 8 N 3.64 1.00 -0.09 0.00 1.35 -1.26 0.37 112.91 117.91 1xs8 h THR 8 Ca -0.45 -0.09 -0.21 0.00 -0.55 0.00 0.00 66.41 65.10 1xs8 h THR 8 Cb 1.22 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1xs8 h THR 8 CO 0.80 0.05 -0.80 0.22 -0.25 0.00 0.00 175.52 175.54 1xs8 h TYR 9 N 0.28 0.80 0.00 4.73 3.20 -1.80 -3.28 116.97 120.90 1xs8 h TYR 9 Ca 0.11 -0.37 -0.22 0.00 3.14 0.00 0.00 58.73 61.38 1xs8 h TYR 9 Cb 0.03 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.14 1xs8 h TYR 9 CO -0.09 1.17 -1.35 -0.07 -1.64 0.00 0.00 178.16 176.18 1xs8 h LEU 10 N 0.39 0.00 0.59 2.82 3.38 -1.91 -3.48 115.31 117.10 1xs8 h LEU 10 Ca -0.05 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.51 1xs8 h LEU 10 Cb 1.40 0.00 0.08 0.00 0.09 0.00 0.00 40.66 42.23 1xs8 h LEU 10 CO 0.15 0.84 -0.63 0.00 0.09 0.00 0.00 178.44 178.89 1xs8 n GLN 11 N -3.09 -5.61 -4.01 1.13 1.13 0.13 -4.97 117.38 102.09 1xs8 n GLN 11 Ca -0.09 0.90 -0.12 0.00 -1.94 0.00 0.00 57.00 55.74 1xs8 n GLN 11 Cb 0.94 -5.81 -0.03 0.00 0.11 0.00 0.00 30.24 25.45 1xs8 n GLN 11 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 1xs8 s ARG 12 N -5.85 1.92 0.05 -1.09 1.70 -1.25 -4.96 118.95 109.46 1xs8 s ARG 12 Ca 0.37 -1.59 -0.31 0.00 -0.47 0.00 0.00 55.73 53.73 1xs8 s ARG 12 Cb -0.16 0.49 -0.08 0.00 -0.57 0.00 0.00 34.95 34.63 1xs8 s ARG 12 CO 0.46 -0.82 1.61 -0.51 -1.08 0.00 0.00 175.30 174.95 1xs8 s ASP 13 N -3.16 6.65 0.34 -2.89 1.11 -1.26 -2.46 116.67 115.00 1xs8 s ASP 13 Ca 0.26 2.40 0.05 0.00 0.18 0.00 0.00 52.55 55.43 1xs8 s ASP 13 Cb -0.02 -2.56 -0.02 0.00 1.07 0.00 0.00 42.92 41.40 1xs8 s ASP 13 CO 0.16 -0.86 0.35 0.00 1.18 0.00 0.00 175.17 176.00 1xs8 s ALA 14 N 2.69 1.56 0.06 5.23 0.00 0.99 -4.94 121.76 127.35 1xs8 s ALA 14 Ca 0.72 -1.93 -0.10 0.00 0.00 0.00 0.00 51.96 50.66 1xs8 s ALA 14 Cb -0.38 1.38 -0.06 0.00 0.00 0.00 0.00 23.12 24.07 1xs8 s ALA 14 CO 0.31 -0.71 0.37 -1.83 0.00 0.00 0.00 175.76 173.90 1xs8 s GLU 15 N -3.26 3.73 -0.38 0.00 -1.05 -1.26 -0.22 118.70 116.26 1xs8 s GLU 15 Ca 0.38 0.14 -0.27 0.00 -0.15 0.00 0.00 54.97 55.06 1xs8 s GLU 15 Cb 0.01 -3.03 -0.04 0.00 -0.44 0.00 0.00 34.13 30.62 1xs8 s GLU 15 CO 0.26 0.59 2.14 0.20 0.95 0.00 0.00 175.26 179.40 1xs8 s GLY 16 N -1.68 0.24 0.16 -3.83 0.00 -0.96 -4.03 107.32 97.22 1xs8 s GLY 16 Ca 0.31 0.24 -0.27 0.00 0.00 0.00 0.00 44.72 45.00 1xs8 s GLY 16 CO 0.17 3.74 1.56 0.06 0.00 0.00 0.00 173.10 178.63 1xs8 h GLN 17 N 15.96 -0.22 0.00 2.90 3.07 -1.50 -3.46 115.11 131.86 1xs8 h GLN 17 Ca -0.32 0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.43 1xs8 h GLN 17 Cb 1.22 0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.83 1xs8 h GLN 17 CO 1.07 -0.15 0.00 -3.47 0.09 0.00 0.00 178.83 176.37 1xs8 n ASP 18 N -5.39 0.00 -4.86 0.06 -0.08 -1.26 -4.65 116.55 100.38 1xs8 n ASP 18 Ca 0.01 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 53.01 1xs8 n ASP 18 Cb 0.34 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.77 1xs8 n ASP 18 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1xs8 s PHE 19 N -2.58 1.76 -0.25 -0.67 0.08 -1.26 -4.92 117.98 110.13 1xs8 s PHE 19 Ca 0.00 -0.85 -0.23 0.00 0.12 0.00 0.00 56.93 55.97 1xs8 s PHE 19 Cb 0.00 -1.84 -0.01 0.00 -0.57 0.00 0.00 43.02 40.60 1xs8 s PHE 19 CO 0.00 -0.25 0.74 -0.65 -0.10 0.00 0.00 175.22 174.96 1xs8 s GLN 20 N -4.15 4.15 -0.18 0.44 -0.21 -1.26 -4.93 119.66 113.52 1xs8 s GLN 20 Ca 0.27 0.78 -0.15 0.00 0.02 0.00 0.00 55.36 56.28 1xs8 s GLN 20 Cb -0.01 -3.65 -0.11 0.00 1.00 0.00 0.00 33.01 30.25 1xs8 s GLN 20 CO 0.17 -0.47 -0.00 1.28 -2.12 0.00 0.00 175.29 174.14 1xs8 n LEU 21 N 5.87 1.84 0.00 2.90 4.32 -1.26 -4.96 117.00 125.71 1xs8 n LEU 21 Ca 0.03 0.53 0.00 0.00 -0.02 0.00 0.00 56.01 56.55 1xs8 n LEU 21 Cb 0.48 -0.91 0.00 0.00 -1.62 0.00 0.00 43.42 41.37 1xs8 n LEU 21 CO 0.45 -0.10 0.00 0.00 -1.22 0.00 0.00 177.39 176.52 1xs8 n TYR 22 N -4.52 0.00 -1.73 -1.77 4.11 -1.26 -5.11 117.16 106.89 1xs8 n TYR 22 Ca -0.20 0.00 -0.42 0.00 -0.00 0.00 0.00 57.90 57.28 1xs8 n TYR 22 Cb 0.47 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.80 1xs8 n TYR 22 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.86 174.56 1xs8 n PRO 23 N -0.87 2.44 0.00 -3.48 -0.02 -1.26 -4.99 135.00 126.81 1xs8 n PRO 23 Ca 0.00 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1xs8 n PRO 23 Cb 0.00 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 30.91 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 1.55 0.64 0.28 -1.23 0.00 -1.26 -4.31 105.19 100.85 1xs8 n GLY 24 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 1xs8 n GLY 24 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1xs8 h GLU 25 N 0.00 0.94 -0.29 1.61 9.09 -1.99 0.37 114.58 124.31 1xs8 h GLU 25 Ca 0.00 -0.20 -0.10 0.00 0.05 0.00 0.00 59.36 59.11 1xs8 h GLU 25 Cb 0.00 -0.13 -0.01 0.00 -1.65 0.00 0.00 28.75 26.95 1xs8 h GLU 25 CO 0.00 0.84 -0.22 1.25 0.05 0.00 0.00 179.01 180.93 1xs8 h LEU 26 N 0.86 0.55 0.27 3.06 5.85 -1.99 -1.00 115.31 122.91 1xs8 h LEU 26 Ca 0.19 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1xs8 h LEU 26 Cb 0.29 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1xs8 h LEU 26 CO -0.01 0.77 -0.13 1.23 -0.34 0.00 0.00 178.44 179.96 1xs8 h GLY 27 N 1.00 -0.38 0.50 3.75 0.00 -1.47 -2.53 103.07 103.94 1xs8 h GLY 27 Ca 0.07 0.14 0.08 0.00 0.00 0.00 0.00 47.33 47.63 1xs8 h GLY 27 CO 0.05 -0.14 0.27 1.70 0.00 0.00 0.00 176.54 178.42 1xs8 h LYS 28 N -0.48 0.47 -0.99 4.80 3.64 -0.19 0.07 116.57 123.89 1xs8 h LYS 28 Ca -0.04 -0.03 0.17 0.00 -1.27 0.00 0.00 60.65 59.48 1xs8 h LYS 28 Cb 0.36 -0.11 -0.09 0.00 -0.41 0.00 0.00 32.23 31.98 1xs8 h LYS 28 CO 0.06 0.31 0.62 -0.09 -2.27 0.00 0.00 179.45 178.08 1xs8 h ARG 29 N 0.49 0.78 0.06 1.90 2.43 -1.03 -1.98 114.38 117.03 1xs8 h ARG 29 Ca 0.30 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.30 1xs8 h ARG 29 Cb 0.31 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1xs8 h ARG 29 CO -0.26 0.51 -0.51 0.82 -1.51 0.00 0.00 179.97 179.02 1xs8 h ILE 30 N 0.80 1.56 -0.06 1.20 2.04 -0.82 -3.23 117.51 119.00 1xs8 h ILE 30 Ca 0.54 -2.31 -0.00 0.00 1.00 0.00 0.00 64.86 64.09 1xs8 h ILE 30 Cb 0.79 3.05 -0.00 0.00 -0.74 0.00 0.00 36.82 39.92 1xs8 h ILE 30 CO -0.32 0.64 0.02 1.88 0.00 0.00 0.00 178.15 180.37 1xs8 h TYR 31 N -0.47 0.08 -0.04 1.37 0.05 -0.31 0.15 116.97 117.80 1xs8 h TYR 31 Ca -0.08 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.70 1xs8 h TYR 31 Cb 1.34 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 39.05 1xs8 h TYR 31 CO 0.20 0.07 0.00 0.27 -1.05 0.00 0.00 178.16 177.65 1xs8 n ASN 32 N -4.50 2.66 -0.00 3.88 2.04 -0.87 -2.96 115.26 115.51 1xs8 n ASN 32 Ca -0.02 -1.82 0.04 0.00 -0.44 0.00 0.00 54.58 52.34 1xs8 n ASN 32 Cb 0.11 -0.01 -0.06 0.00 -2.53 0.00 0.00 39.78 37.29 1xs8 n ASN 32 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1xs8 n GLU 33 N 1.11 2.13 -4.81 -3.83 -0.58 -0.75 -4.75 120.64 109.15 1xs8 n GLU 33 Ca 0.12 -0.04 -0.33 0.00 -0.42 0.00 0.00 57.16 56.49 1xs8 n GLU 33 Cb 0.49 -1.05 -0.13 0.00 -0.57 0.00 0.00 31.44 30.18 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 -2.21 3.15 0.41 -3.67 -1.09 0.45 -0.82 121.20 117.43 1xs8 s ILE 34 Ca -0.00 -0.67 -0.17 0.00 -2.23 0.00 0.00 60.65 57.58 1xs8 s ILE 34 Cb 0.06 -2.28 -0.09 0.00 -1.58 0.00 0.00 42.46 38.57 1xs8 s ILE 34 CO 0.34 0.57 0.87 -0.55 -1.23 0.00 0.00 174.94 174.94 1xs8 s SER 35 N -0.33 6.78 0.55 3.58 0.15 -1.26 -3.20 113.70 119.97 1xs8 s SER 35 Ca 0.03 1.48 0.23 0.00 0.70 0.00 0.00 55.95 58.39 1xs8 s SER 35 Cb -0.13 -2.46 1.47 0.00 -1.71 0.00 0.00 66.02 63.20 1xs8 s SER 35 CO 0.02 -0.37 2.11 0.50 1.20 0.00 0.00 173.24 176.71 1xs8 h LYS 36 N 1.73 0.00 0.32 5.44 1.63 -1.83 0.14 116.57 124.00 1xs8 h LYS 36 Ca -0.48 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.30 1xs8 h LYS 36 Cb 1.18 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 1xs8 h LYS 36 CO 0.63 0.00 -0.15 0.22 -3.45 0.00 0.00 179.45 176.69 1xs8 h ASP 37 N 0.00 -0.36 -0.14 4.20 3.58 -1.92 0.21 116.42 121.99 1xs8 h ASP 37 Ca 0.09 -0.02 -0.12 0.00 0.42 0.00 0.00 57.03 57.39 1xs8 h ASP 37 Cb 0.39 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 1xs8 h ASP 37 CO -0.00 -0.21 -0.32 0.00 -2.88 0.00 0.00 179.24 175.83 1xs8 h ALA 38 N 0.20 0.89 -0.87 -0.78 0.00 -1.66 0.11 119.26 117.15 1xs8 h ALA 38 Ca -0.04 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1xs8 h ALA 38 Cb 0.36 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1xs8 h ALA 38 CO 0.07 0.63 0.51 2.35 0.00 0.00 0.00 179.25 182.81 1xs8 h TRP 39 N 0.54 1.16 -0.10 0.00 2.91 -0.64 0.75 115.95 120.58 1xs8 h TRP 39 Ca 0.06 -0.01 -0.09 0.00 1.13 0.00 0.00 58.89 59.98 1xs8 h TRP 39 Cb 0.81 -0.38 0.00 0.00 -0.51 0.00 0.00 29.16 29.09 1xs8 h TRP 39 CO 0.04 0.78 -0.30 0.00 -1.03 0.00 0.00 178.44 177.93 1xs8 h ALA 40 N 1.28 0.17 -0.98 2.65 0.00 -0.22 -2.70 119.26 119.45 1xs8 h ALA 40 Ca 0.31 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1xs8 h ALA 40 Cb -0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1xs8 h ALA 40 CO -0.06 0.19 0.65 1.96 0.00 0.00 0.00 179.25 181.99 1xs8 h GLN 41 N -0.08 1.24 0.58 0.00 1.08 -0.60 0.11 115.11 117.44 1xs8 h GLN 41 Ca -0.01 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.09 1xs8 h GLN 41 Cb 0.92 -0.28 0.01 0.00 -0.05 0.00 0.00 27.48 28.07 1xs8 h GLN 41 CO 0.06 0.82 -0.28 2.35 -0.95 0.00 0.00 178.83 180.84 1xs8 h TRP 42 N 1.28 -0.72 -0.08 2.96 2.91 -0.87 -2.13 115.95 119.30 1xs8 h TRP 42 Ca 0.38 -0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.36 1xs8 h TRP 42 Cb -0.06 0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 28.82 1xs8 h TRP 42 CO -0.00 -0.40 -0.04 1.96 -1.03 0.00 0.00 178.44 178.93 1xs8 h GLN 43 N -0.93 0.11 -0.05 2.65 4.20 -1.25 0.48 115.11 120.33 1xs8 h GLN 43 Ca -0.08 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 1xs8 h GLN 43 Cb 0.64 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.40 1xs8 h GLN 43 CO 0.13 0.17 0.02 1.25 -0.67 0.00 0.00 178.83 179.73 1xs8 h HIS 44 N 0.11 0.08 -0.25 2.96 2.76 -0.89 -0.19 115.15 119.73 1xs8 h HIS 44 Ca 0.03 -0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.03 1xs8 h HIS 44 Cb 0.15 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.08 1xs8 h HIS 44 CO 0.00 0.17 -0.51 -0.22 -1.30 0.00 0.00 177.93 176.07 1xs8 h LYS 45 N -0.04 0.70 0.07 5.26 1.63 -0.62 -2.51 116.57 121.07 1xs8 h LYS 45 Ca 0.02 -0.42 0.02 0.00 -0.85 0.00 0.00 60.65 59.41 1xs8 h LYS 45 Cb 0.12 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.76 1xs8 h LYS 45 CO -0.00 1.04 -0.23 0.37 -3.45 0.00 0.00 179.45 177.18 1xs8 h GLN 46 N 0.55 -0.39 -1.00 1.90 4.15 0.07 0.39 115.11 120.77 1xs8 h GLN 46 Ca 0.02 0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.49 1xs8 h GLN 46 Cb 1.08 0.09 -0.05 0.00 0.21 0.00 0.00 27.48 28.80 1xs8 h GLN 46 CO 0.11 -0.26 0.66 1.15 -1.93 0.00 0.00 178.83 178.55 1xs8 h THR 47 N -0.41 1.22 0.00 2.39 2.02 -1.04 -0.50 112.91 116.59 1xs8 h THR 47 Ca 0.04 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.77 1xs8 h THR 47 Cb 0.45 -0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1xs8 h THR 47 CO -0.16 0.24 0.00 0.80 0.37 0.00 0.00 175.52 176.77 1xs8 n MET 48 N -4.41 0.18 -0.00 6.66 0.00 -0.73 -0.40 117.12 118.42 1xs8 n MET 48 Ca 0.13 0.39 -0.21 0.00 -0.00 0.00 0.00 57.70 58.01 1xs8 n MET 48 Cb 0.05 -1.84 -0.14 0.00 0.00 0.00 0.00 33.22 31.30 1xs8 n MET 48 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1xs8 h LEU 49 N 0.00 0.34 0.14 -0.89 3.38 0.45 -3.32 115.31 115.41 1xs8 h LEU 49 Ca 0.00 -0.83 -0.01 0.00 0.09 0.00 0.00 57.88 57.13 1xs8 h LEU 49 Cb 0.38 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1xs8 h LEU 49 CO 0.00 1.61 -0.07 0.40 0.09 0.00 0.00 178.44 180.47 1xs8 h ILE 50 N -0.36 0.96 0.00 1.22 2.04 -0.37 -0.41 117.51 120.59 1xs8 h ILE 50 Ca -0.31 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.11 1xs8 h ILE 50 Cb 1.72 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 39.04 1xs8 h ILE 50 CO 0.03 0.10 0.00 -0.55 0.00 0.00 0.00 178.15 177.74 1xs8 h ASN 51 N -0.40 0.00 0.07 1.72 -1.07 -0.94 0.22 115.58 115.18 1xs8 h ASN 51 Ca -0.02 0.00 -0.36 0.00 0.07 0.00 0.00 56.30 55.99 1xs8 h ASN 51 Cb 0.32 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.53 1xs8 h ASN 51 CO 0.03 0.00 -2.02 -0.62 0.07 0.00 0.00 177.43 174.89 1xs8 n GLU 52 N -2.97 0.69 0.22 4.14 -0.58 -1.20 -4.24 120.64 116.69 1xs8 n GLU 52 Ca 0.02 0.29 0.12 0.00 -0.42 0.00 0.00 57.16 57.18 1xs8 n GLU 52 Cb 0.38 -1.66 0.21 0.00 -0.57 0.00 0.00 31.44 29.80 1xs8 n GLU 52 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1xs8 h LYS 53 N -0.22 0.00 -5.81 3.49 1.57 -1.03 -3.47 116.57 111.10 1xs8 h LYS 53 Ca -0.47 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 57.92 1xs8 h LYS 53 Cb 1.84 0.00 0.14 0.00 0.08 0.00 0.00 32.23 34.29 1xs8 h LYS 53 CO -0.05 0.00 -0.68 1.63 -0.57 0.00 0.00 179.45 179.78 1xs8 n LYS 54 N -3.05 -7.89 -3.82 3.15 5.02 0.78 -4.98 118.16 107.38 1xs8 n LYS 54 Ca 0.04 0.83 -0.35 0.00 -2.02 0.00 0.00 58.31 56.80 1xs8 n LYS 54 Cb 0.51 -5.87 -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 -7.23 4.38 -0.07 -0.35 0.05 -1.22 -5.07 118.68 109.17 1xs8 s LEU 55 Ca 0.55 0.50 -0.13 0.00 0.05 0.00 0.00 54.13 55.10 1xs8 s LEU 55 Cb -0.24 -2.48 -0.05 0.00 -2.05 0.00 0.00 46.19 41.37 1xs8 s LEU 55 CO 0.73 0.30 0.33 0.54 -0.55 0.00 0.00 176.35 177.70 1xs8 s ASN 56 N -1.53 6.62 -0.09 1.48 2.20 -1.26 -4.96 114.94 117.39 1xs8 s ASN 56 Ca 0.24 0.74 0.14 0.00 -0.94 0.00 0.00 52.86 53.04 1xs8 s ASN 56 Cb -0.13 -2.20 0.45 0.00 -2.00 0.00 0.00 41.25 37.37 1xs8 s ASN 56 CO 0.13 0.27 1.37 1.15 -2.94 0.00 0.00 177.10 177.08 1xs8 n MET 57 N 2.38 3.00 0.25 3.55 0.00 -1.26 -3.95 117.12 121.10 1xs8 n MET 57 Ca -0.14 -2.50 0.15 0.00 0.00 0.00 0.00 57.70 55.20 1xs8 n MET 57 Cb 0.53 -1.60 0.43 0.00 0.00 0.00 0.00 33.22 32.58 1xs8 n MET 57 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.97 176.49 1xs8 h MET 58 N 2.13 0.00 -6.73 3.17 2.86 -1.94 -3.32 114.93 111.11 1xs8 h MET 58 Ca 0.00 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.12 1xs8 h MET 58 Cb 1.14 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.83 1xs8 h MET 58 CO 0.13 0.00 0.59 -0.80 1.06 0.00 0.00 176.91 177.88 1xs8 s ASN 59 N -5.93 7.01 0.24 1.22 -0.87 -1.25 -4.94 114.94 110.41 1xs8 s ASN 59 Ca 0.04 2.37 -0.06 0.00 -1.57 0.00 0.00 52.86 53.64 1xs8 s ASN 59 Cb 0.07 -2.62 0.29 0.00 -0.02 0.00 0.00 41.25 38.97 1xs8 s ASN 59 CO 0.60 -0.41 1.88 0.00 -2.57 0.00 0.00 177.10 176.61 1xs8 h ALA 60 N 4.73 1.19 -0.81 0.60 0.00 -1.93 -0.75 119.26 122.29 1xs8 h ALA 60 Ca -0.46 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 1xs8 h ALA 60 Cb 1.22 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1xs8 h ALA 60 CO 0.73 0.42 0.36 0.93 0.00 0.00 0.00 179.25 181.68 1xs8 h GLU 61 N 1.11 1.18 0.00 0.00 4.39 -1.93 -1.83 114.58 117.50 1xs8 h GLU 61 Ca 0.36 -0.19 -0.13 0.00 0.34 0.00 0.00 59.36 59.74 1xs8 h GLU 61 Cb 0.03 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 1xs8 h GLU 61 CO -0.13 0.93 -0.62 0.45 -1.16 0.00 0.00 179.01 178.48 1xs8 h HIS 62 N 1.16 0.00 0.12 4.33 3.86 -1.69 -2.25 115.15 120.68 1xs8 h HIS 62 Ca 0.27 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.48 1xs8 h HIS 62 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 1xs8 h HIS 62 CO 0.02 0.62 -0.06 -0.09 0.86 0.00 0.00 177.93 179.28 1xs8 h ARG 63 N 0.00 -0.16 0.00 2.45 1.12 -0.81 -2.72 114.38 114.27 1xs8 h ARG 63 Ca -0.01 0.01 -0.07 0.00 -1.11 0.00 0.00 59.98 58.81 1xs8 h ARG 63 Cb 1.45 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 31.43 1xs8 h ARG 63 CO 0.08 0.22 -0.32 1.57 -3.11 0.00 0.00 179.97 178.41 1xs8 h LYS 64 N -0.57 0.00 0.44 0.20 2.10 -1.41 -2.30 116.57 115.03 1xs8 h LYS 64 Ca -0.02 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.61 1xs8 h LYS 64 Cb 0.45 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 1xs8 h LYS 64 CO 0.03 0.32 -0.23 1.25 -2.00 0.00 0.00 179.45 178.82 1xs8 h LEU 65 N 0.00 -0.56 -0.03 7.07 7.12 -1.34 0.16 115.31 127.73 1xs8 h LEU 65 Ca -0.00 0.03 0.03 0.00 0.13 0.00 0.00 57.88 58.06 1xs8 h LEU 65 Cb 0.66 0.15 -0.03 0.00 -0.53 0.00 0.00 40.66 40.92 1xs8 h LEU 65 CO 0.04 -0.38 -0.14 0.25 -0.13 0.00 0.00 178.44 178.07 1xs8 h LEU 66 N -0.63 -0.42 -0.16 2.25 6.46 -1.31 0.15 115.31 121.66 1xs8 h LEU 66 Ca -0.06 0.07 0.05 0.00 -0.12 0.00 0.00 57.88 57.82 1xs8 h LEU 66 Cb 0.49 0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 40.54 1xs8 h LEU 66 CO 0.08 -0.20 -0.28 -0.08 -0.62 0.00 0.00 178.44 177.35 1xs8 h GLU 67 N -0.23 -0.32 -0.52 1.25 4.81 -1.25 0.30 114.58 118.62 1xs8 h GLU 67 Ca 0.06 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.23 1xs8 h GLU 67 Cb 0.30 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1xs8 h GLU 67 CO -0.16 -0.21 0.01 1.96 -0.73 0.00 0.00 179.01 179.88 1xs8 h GLN 68 N -0.33 0.91 -0.48 1.92 4.20 -0.48 -2.01 115.11 118.84 1xs8 h GLN 68 Ca 0.11 -0.28 -0.05 0.00 0.06 0.00 0.00 58.65 58.48 1xs8 h GLN 68 Cb 0.50 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 1xs8 h GLN 68 CO -0.35 0.93 0.07 1.49 -0.67 0.00 0.00 178.83 180.31 1xs8 h GLU 69 N 0.78 0.75 -0.20 1.46 4.57 -0.33 -1.55 114.58 120.06 1xs8 h GLU 69 Ca 0.15 -0.16 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1xs8 h GLU 69 Cb 0.51 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 1xs8 h GLU 69 CO 0.02 0.71 0.10 1.98 -1.18 0.00 0.00 179.01 180.64 1xs8 h MET 70 N 0.72 0.28 -0.74 1.92 4.05 -0.09 -1.51 114.93 119.57 1xs8 h MET 70 Ca 0.15 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.53 1xs8 h MET 70 Cb 0.33 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.05 1xs8 h MET 70 CO 0.01 0.30 0.46 0.28 0.23 0.00 0.00 176.91 178.19 1xs8 h VAL 71 N 0.19 1.20 0.00 -5.77 2.07 -1.05 0.63 116.25 113.53 1xs8 h VAL 71 Ca 0.07 -0.41 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 1xs8 h VAL 71 Cb 0.11 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1xs8 h VAL 71 CO -0.01 0.20 -0.30 0.28 0.02 0.00 0.00 177.57 177.76 1xs8 h SER 72 N 1.01 0.00 0.21 0.57 0.02 -0.83 0.22 113.55 114.75 1xs8 h SER 72 Ca 0.27 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.87 1xs8 h SER 72 Cb -0.07 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.43 1xs8 h SER 72 CO -0.05 0.30 -2.00 0.33 -1.14 0.00 0.00 176.83 174.27 1xs8 n PHE 73 N -3.69 0.93 0.01 3.45 7.35 -0.61 -2.84 117.46 122.06 1xs8 n PHE 73 Ca -0.01 0.24 -0.22 0.00 -0.76 0.00 0.00 57.45 56.70 1xs8 n PHE 73 Cb 0.41 -1.14 -0.14 0.00 0.35 0.00 0.00 39.48 38.96 1xs8 n PHE 73 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1xs8 h LEU 74 N 0.04 0.44 0.00 -2.13 4.07 -0.87 -3.41 115.31 113.44 1xs8 h LEU 74 Ca -0.41 -0.92 -0.10 0.00 0.08 0.00 0.00 57.88 56.53 1xs8 h LEU 74 Cb 2.03 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 43.61 1xs8 h LEU 74 CO 0.06 1.80 -1.67 0.33 -1.08 0.00 0.00 178.44 177.88 1xs8 n PHE 75 N -3.61 0.00 0.00 1.13 7.35 0.51 -3.72 117.46 119.13 1xs8 n PHE 75 Ca -0.30 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.39 1xs8 n PHE 75 Cb 1.02 -0.42 0.00 0.00 0.35 0.00 0.00 39.48 40.43 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 -2.17 0.00 -2.65 -4.13 1.02 0.32 -4.80 120.64 108.23 1xs8 n GLU 76 Ca -0.10 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.61 1xs8 n GLU 76 Cb 0.59 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.99 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 0.00 1.63 0.50 0.62 0.00 -1.26 -4.65 107.32 104.16 1xs8 s GLY 77 Ca 0.00 -2.72 0.06 0.00 0.00 0.00 0.00 44.72 42.05 1xs8 s GLY 77 CO 0.00 2.56 0.32 -1.59 0.00 0.00 0.00 173.10 174.39 1xs8 s LYS 78 N 4.02 2.27 -0.26 2.90 0.00 -1.26 -5.04 119.74 122.36 1xs8 s LYS 78 Ca 0.48 -1.98 -0.07 0.00 0.00 0.00 0.00 55.97 54.40 1xs8 s LYS 78 Cb 0.01 -2.05 -0.15 0.00 0.00 0.00 0.00 37.83 35.64 1xs8 s LYS 78 CO -0.01 -0.46 -0.26 -0.25 0.00 0.00 0.00 175.35 174.37 1xs8 n ASP 79 N -1.60 1.97 -4.72 0.03 8.00 -1.26 -4.98 116.55 114.00 1xs8 n ASP 79 Ca -0.03 0.12 -0.42 0.00 0.71 0.00 0.00 54.79 55.17 1xs8 n ASP 79 Cb 0.64 -0.64 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 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 -2.51 2.76 -0.67 2.53 1.01 -1.26 -4.93 120.40 117.33 1xs8 s VAL 80 Ca -0.36 0.55 -0.27 0.00 0.00 0.00 0.00 61.98 61.89 1xs8 s VAL 80 Cb 0.12 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 33.18 1xs8 s VAL 80 CO 0.55 0.04 1.24 -2.28 0.00 0.00 0.00 175.10 174.65 1xs8 s HIS 81 N 1.12 2.42 -0.07 5.22 2.46 -1.26 -4.99 115.29 120.19 1xs8 s HIS 81 Ca 0.69 0.13 -0.29 0.00 0.47 0.00 0.00 55.06 56.06 1xs8 s HIS 81 Cb -0.42 -4.58 -0.02 0.00 -0.13 0.00 0.00 32.58 27.43 1xs8 s HIS 81 CO 0.31 -1.87 0.97 0.42 -2.47 0.00 0.00 174.74 172.10 1xs8 s ILE 82 N 5.39 4.83 -0.26 0.89 1.01 -1.26 -3.46 121.20 128.33 1xs8 s ILE 82 Ca 0.38 2.00 0.00 0.00 0.00 0.00 0.00 60.65 63.03 1xs8 s ILE 82 Cb -0.08 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 38.10 1xs8 s ILE 82 CO 0.19 0.07 0.00 -0.62 0.00 0.00 0.00 174.94 174.59 1xs8 n GLU 83 N 4.56 -1.36 -3.71 2.79 -0.58 -1.26 -4.93 120.64 116.15 1xs8 n GLU 83 Ca 0.07 0.47 -0.28 0.00 -0.42 0.00 0.00 57.16 56.99 1xs8 n GLU 83 Cb 0.50 -4.54 -0.16 0.00 -0.57 0.00 0.00 31.44 26.66 1xs8 n GLU 83 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1xs8 s GLY 84 N -2.14 0.77 -0.10 0.62 0.00 -1.23 -5.11 107.32 100.13 1xs8 s GLY 84 Ca 0.00 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 43.75 1xs8 s GLY 84 CO 0.00 1.55 -0.11 -0.19 0.00 0.00 0.00 173.10 174.35 1xs8 s TYR 85 N 1.83 1.66 -0.30 1.90 2.02 -1.26 -4.73 117.35 118.47 1xs8 s TYR 85 Ca 0.03 -0.77 -0.13 0.00 -0.37 0.00 0.00 57.07 55.82 1xs8 s TYR 85 Cb -0.17 -1.27 -0.03 0.00 -0.40 0.00 0.00 41.96 40.09 1xs8 s TYR 85 CO -0.16 -0.45 0.30 0.95 -1.57 0.00 0.00 175.55 174.62 1xs8 s THR 86 N 1.20 5.23 0.30 -0.71 -4.23 -1.26 -4.93 115.64 111.23 1xs8 s THR 86 Ca -0.04 0.24 0.04 0.00 -1.18 0.00 0.00 61.69 60.75 1xs8 s THR 86 Cb -0.14 -3.67 0.08 0.00 1.34 0.00 0.00 72.50 70.10 1xs8 s THR 86 CO -0.03 0.11 1.75 -0.65 -0.54 0.00 0.00 174.62 175.26 1xs8 h PRO 87 N 8.34 0.42 -4.19 3.99 0.11 -2.03 -3.36 132.00 135.28 1xs8 h PRO 87 Ca -0.32 -0.15 -0.76 0.00 0.11 0.00 0.00 66.00 64.88 1xs8 h PRO 87 Cb 1.17 -0.03 -0.23 0.00 0.11 0.00 0.00 31.00 32.01 1xs8 h PRO 87 CO 0.62 0.64 0.17 -1.21 -0.21 0.00 0.00 178.00 178.02 1xs8 s GLU 88 N -4.50 3.43 0.00 1.05 2.02 -1.26 -4.83 118.70 114.61 1xs8 s GLU 88 Ca -0.06 -2.07 0.20 0.00 0.02 0.00 0.00 54.97 53.05 1xs8 s GLU 88 Cb 0.14 -4.47 -0.07 0.00 0.10 0.00 0.00 34.13 29.83 1xs8 s GLU 88 CO 0.78 -1.41 0.93 -0.40 0.02 0.00 0.00 175.26 175.18 1xs8 n ASP 89 N 4.93 1.56 -4.03 -0.19 5.75 -1.26 -4.94 116.55 118.38 1xs8 n ASP 89 Ca 0.08 -1.28 -0.11 0.00 -0.01 0.00 0.00 54.79 53.47 1xs8 n ASP 89 Cb 0.46 0.65 -0.11 0.00 -1.03 0.00 0.00 41.12 41.08 1xs8 n ASP 89 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1xs8 s LYS 90 N -2.42 0.43 0.00 0.11 1.02 -1.26 -5.17 119.74 112.45 1xs8 s LYS 90 Ca 0.13 -0.70 0.24 0.00 0.02 0.00 0.00 55.97 55.67 1xs8 s LYS 90 Cb 0.15 -0.10 0.22 0.00 -0.52 0.00 0.00 37.83 37.59 1xs8 s LYS 90 CO 0.59 0.00 1.28 1.63 -0.92 0.00 0.00 175.35 177.93