#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 6.40 -0.41 7.83 0.01 -1.26 -4.97 113.70 121.30 1xs8 s SER 2 Ca 0.00 -1.33 -0.28 0.00 1.31 0.00 0.00 55.95 55.65 1xs8 s SER 2 Cb 0.00 -2.49 0.02 0.00 0.21 0.00 0.00 66.02 63.76 1xs8 s SER 2 CO 0.00 -1.44 1.06 -0.60 0.41 0.00 0.00 173.24 172.67 1xs8 s ARG 3 N 4.31 3.83 -0.15 12.44 3.52 -1.26 -5.01 118.95 136.61 1xs8 s ARG 3 Ca 0.35 0.68 -0.04 0.00 -0.13 0.00 0.00 55.73 56.60 1xs8 s ARG 3 Cb -0.06 -3.84 -0.03 0.00 -1.56 0.00 0.00 34.95 29.46 1xs8 s ARG 3 CO -0.01 -1.15 -0.04 0.95 -0.81 0.00 0.00 175.30 174.24 1xs8 s THR 4 N 3.98 3.87 0.38 4.11 -4.23 -1.26 -0.26 115.64 122.22 1xs8 s THR 4 Ca 0.44 -0.37 0.04 0.00 -1.18 0.00 0.00 61.69 60.62 1xs8 s THR 4 Cb -0.10 -2.69 -0.04 0.00 1.34 0.00 0.00 72.50 71.01 1xs8 s THR 4 CO 0.24 0.49 0.08 0.27 -0.54 0.00 0.00 174.62 175.17 1xs8 s ILE 5 N 0.37 0.95 -0.52 2.99 -5.25 0.61 -4.86 121.20 115.48 1xs8 s ILE 5 Ca -0.04 -2.00 -0.17 0.00 -0.99 0.00 0.00 60.65 57.45 1xs8 s ILE 5 Cb -0.14 -2.56 0.09 0.00 2.95 0.00 0.00 42.46 42.80 1xs8 s ILE 5 CO 0.03 0.00 0.53 -0.36 -1.79 0.00 0.00 174.94 173.35 1xs8 s PHE 6 N -3.22 3.16 0.04 1.37 0.08 -1.26 -0.35 117.98 117.80 1xs8 s PHE 6 Ca 0.29 -0.97 -0.30 0.00 0.12 0.00 0.00 56.93 56.06 1xs8 s PHE 6 Cb 0.06 -3.60 -0.05 0.00 -0.57 0.00 0.00 43.02 38.86 1xs8 s PHE 6 CO 0.14 -1.01 1.15 0.00 -0.10 0.00 0.00 175.22 175.39 1xs8 h THR 8 N 4.62 1.10 0.00 0.00 1.35 -0.82 0.71 112.91 119.87 1xs8 h THR 8 Ca -0.41 -0.22 -0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1xs8 h THR 8 Cb 1.21 0.63 -0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1xs8 h THR 8 CO 0.80 0.10 -0.00 0.22 -0.25 0.00 0.00 175.52 176.39 1xs8 h TYR 9 N 0.46 0.00 0.00 4.73 3.20 -1.78 -3.17 116.97 120.41 1xs8 h TYR 9 Ca 0.13 0.00 -0.25 0.00 3.14 0.00 0.00 58.73 61.75 1xs8 h TYR 9 Cb -0.02 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.20 1xs8 h TYR 9 CO -0.04 0.00 -1.98 1.28 -1.64 0.00 0.00 178.16 175.78 1xs8 n LEU 10 N -3.10 0.00 -1.30 2.82 4.77 -0.96 -4.99 117.00 114.24 1xs8 n LEU 10 Ca 0.01 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.84 1xs8 n LEU 10 Cb 0.31 0.34 -0.05 0.00 -2.33 0.00 0.00 43.42 41.69 1xs8 n LEU 10 CO 0.27 0.34 -0.16 0.00 -1.33 0.00 0.00 177.39 176.51 1xs8 n GLN 11 N -2.51 -1.09 -4.20 3.23 1.13 0.24 -4.96 117.38 109.23 1xs8 n GLN 11 Ca -0.22 0.96 -0.19 0.00 -1.94 0.00 0.00 57.00 55.61 1xs8 n GLN 11 Cb 0.94 -5.15 -0.07 0.00 0.11 0.00 0.00 30.24 26.07 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 -2.53 0.45 -2.21 -1.09 1.74 -1.24 -4.95 116.66 106.83 1xs8 n ARG 12 Ca -0.16 -3.26 -0.42 0.00 -0.77 0.00 0.00 57.85 53.24 1xs8 n ARG 12 Cb 0.53 2.74 -0.03 0.00 -1.02 0.00 0.00 32.46 34.68 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 -3.31 6.84 0.30 0.55 1.11 -1.26 -2.09 116.67 118.81 1xs8 s ASP 13 Ca 0.38 2.14 0.04 0.00 0.18 0.00 0.00 52.55 55.30 1xs8 s ASP 13 Cb 0.02 -2.56 -0.03 0.00 1.07 0.00 0.00 42.92 41.41 1xs8 s ASP 13 CO 0.27 -0.72 0.20 0.00 1.18 0.00 0.00 175.17 176.10 1xs8 s ALA 14 N 2.33 1.84 0.34 5.23 0.00 0.53 -4.93 121.76 127.11 1xs8 s ALA 14 Ca 0.64 -1.83 -0.26 0.00 0.00 0.00 0.00 51.96 50.51 1xs8 s ALA 14 Cb -0.32 1.29 -0.09 0.00 0.00 0.00 0.00 23.12 24.00 1xs8 s ALA 14 CO 0.27 -0.57 1.05 -2.00 0.00 0.00 0.00 175.76 174.51 1xs8 s GLU 15 N -3.73 4.39 -0.10 0.00 2.12 -1.26 -0.29 118.70 119.83 1xs8 s GLU 15 Ca 0.37 1.60 -0.00 0.00 0.36 0.00 0.00 54.97 57.30 1xs8 s GLU 15 Cb 0.04 -2.82 0.08 0.00 0.26 0.00 0.00 34.13 31.70 1xs8 s GLU 15 CO 0.20 0.04 1.81 0.41 -0.54 0.00 0.00 175.26 177.18 1xs8 n GLY 16 N 0.71 2.91 7.00 -1.50 0.00 0.64 -4.38 105.19 110.57 1xs8 n GLY 16 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1xs8 n GLY 16 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xs8 n GLN 17 N 0.90 0.00 0.00 1.61 1.13 -1.26 -4.91 117.38 114.85 1xs8 n GLN 17 Ca 0.10 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 1xs8 n GLN 17 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.92 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 -3.08 0.00 -4.78 1.08 -0.08 -1.26 -5.03 116.55 103.40 1xs8 n ASP 18 Ca 0.00 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 52.95 1xs8 n ASP 18 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 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 1.49 1.81 -1.03 -0.67 0.08 -1.26 -5.06 117.98 113.34 1xs8 s PHE 19 Ca 0.00 -0.98 -0.23 0.00 0.12 0.00 0.00 56.93 55.85 1xs8 s PHE 19 Cb 0.00 -1.61 0.04 0.00 -0.57 0.00 0.00 43.02 40.88 1xs8 s PHE 19 CO 0.00 0.20 1.52 -0.65 -0.10 0.00 0.00 175.22 176.19 1xs8 s GLN 20 N -3.90 3.50 -0.01 0.44 -1.52 -1.26 -4.66 119.66 112.24 1xs8 s GLN 20 Ca 0.04 -1.09 0.11 0.00 -1.95 0.00 0.00 55.36 52.47 1xs8 s GLN 20 Cb 0.01 -5.34 -0.15 0.00 -0.22 0.00 0.00 33.01 27.30 1xs8 s GLN 20 CO 0.02 -2.35 0.30 1.47 -0.25 0.00 0.00 175.29 174.48 1xs8 n LEU 21 N 9.43 0.14 0.02 2.90 -0.00 -1.26 -4.94 117.00 123.29 1xs8 n LEU 21 Ca 0.35 -0.14 0.00 0.00 -0.00 0.00 0.00 56.01 56.22 1xs8 n LEU 21 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 1xs8 n LEU 21 CO 0.66 0.03 0.00 0.00 -0.00 0.00 0.00 177.39 178.09 1xs8 n TYR 22 N -1.70 -2.33 -2.34 1.47 9.36 -1.26 -5.13 117.16 115.23 1xs8 n TYR 22 Ca -0.01 0.13 -0.32 0.00 3.32 0.00 0.00 57.90 61.02 1xs8 n TYR 22 Cb 0.25 0.77 -0.03 0.00 -0.63 0.00 0.00 39.34 39.70 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 3.85 0.00 2.98 0.02 -1.26 -5.08 135.00 133.51 1xs8 s PRO 23 Ca 0.00 0.99 0.00 0.00 0.02 0.00 0.00 61.00 62.01 1xs8 s PRO 23 Cb 0.00 -2.12 0.00 0.00 0.02 0.00 0.00 34.50 32.40 1xs8 s PRO 23 CO 0.00 -0.35 0.00 0.41 -0.33 0.00 0.00 177.00 176.73 1xs8 n GLY 24 N -1.52 1.00 0.25 0.52 0.00 -1.26 -4.75 105.19 99.43 1xs8 n GLY 24 Ca 0.07 -0.61 0.10 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 0.08 1.61 4.39 -1.98 -0.87 114.58 117.81 1xs8 h GLU 25 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xs8 h GLU 25 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1xs8 h GLU 25 CO 0.00 0.12 -0.04 1.25 -1.16 0.00 0.00 179.01 179.18 1xs8 h LEU 26 N 0.00 -0.09 -0.90 1.33 5.85 -1.99 0.15 115.31 119.65 1xs8 h LEU 26 Ca -0.00 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.48 1xs8 h LEU 26 Cb 0.27 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1xs8 h LEU 26 CO 0.02 0.11 0.04 1.23 -0.34 0.00 0.00 178.44 179.49 1xs8 h GLY 27 N -0.30 0.91 0.88 3.75 0.00 -1.72 -2.23 103.07 104.37 1xs8 h GLY 27 Ca -0.01 -0.60 0.02 0.00 0.00 0.00 0.00 47.33 46.74 1xs8 h GLY 27 CO 0.02 0.55 0.27 1.70 0.00 0.00 0.00 176.54 179.08 1xs8 h LYS 28 N 0.80 0.53 -0.94 4.80 3.64 -1.00 0.21 116.57 124.60 1xs8 h LYS 28 Ca 0.16 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.58 1xs8 h LYS 28 Cb 0.43 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.06 1xs8 h LYS 28 CO 0.02 0.35 0.59 -0.09 -2.27 0.00 0.00 179.45 178.05 1xs8 h ARG 29 N 0.55 1.02 -0.09 1.90 2.43 -0.33 -2.55 114.38 117.31 1xs8 h ARG 29 Ca 0.19 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 1xs8 h ARG 29 Cb 0.02 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.34 1xs8 h ARG 29 CO -0.09 0.68 -0.06 0.82 -1.51 0.00 0.00 179.97 179.80 1xs8 h ILE 30 N 1.05 1.34 0.00 1.20 1.08 -0.78 -3.27 117.51 118.14 1xs8 h ILE 30 Ca 0.42 -1.14 -0.01 0.00 -0.39 0.00 0.00 64.86 63.73 1xs8 h ILE 30 Cb 0.23 1.91 -0.00 0.00 -3.07 0.00 0.00 36.82 35.89 1xs8 h ILE 30 CO -0.19 0.32 -0.05 1.88 -0.69 0.00 0.00 178.15 179.42 1xs8 h TYR 31 N -0.19 0.00 0.00 1.37 0.05 -0.23 0.54 116.97 118.51 1xs8 h TYR 31 Ca 0.02 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.69 1xs8 h TYR 31 Cb 0.54 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.27 1xs8 h TYR 31 CO 0.08 0.05 -0.53 -0.91 -1.05 0.00 0.00 178.16 175.79 1xs8 h ASN 32 N 0.00 0.00 0.00 3.88 2.35 -1.52 -3.34 115.58 116.96 1xs8 h ASN 32 Ca -0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1xs8 h ASN 32 Cb 0.12 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1xs8 h ASN 32 CO 0.01 0.53 -1.59 -0.62 -1.65 0.00 0.00 177.43 174.10 1xs8 n GLU 33 N -3.70 0.76 -5.12 0.81 -0.58 -0.01 -4.52 120.64 108.29 1xs8 n GLU 33 Ca -0.01 -0.09 -0.32 0.00 -0.42 0.00 0.00 57.16 56.33 1xs8 n GLU 33 Cb 0.58 -1.28 -0.16 0.00 -0.57 0.00 0.00 31.44 30.01 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 -2.70 2.35 0.68 -3.67 -1.09 0.17 -0.15 121.20 116.78 1xs8 s ILE 34 Ca -0.05 -0.94 -0.03 0.00 -2.23 0.00 0.00 60.65 57.41 1xs8 s ILE 34 Cb 0.07 -1.90 0.14 0.00 -1.58 0.00 0.00 42.46 39.18 1xs8 s ILE 34 CO 0.49 0.56 0.92 -0.24 -1.23 0.00 0.00 174.94 175.44 1xs8 n SER 35 N 3.19 1.01 -0.09 3.58 2.88 -1.26 -4.43 113.62 118.50 1xs8 n SER 35 Ca -0.18 -1.91 -0.13 0.00 -1.33 0.00 0.00 58.87 55.32 1xs8 n SER 35 Cb 0.52 -0.62 -0.04 0.00 -0.75 0.00 0.00 64.21 63.32 1xs8 n SER 35 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1xs8 h LYS 36 N 0.00 0.72 -0.36 -1.46 1.57 -1.96 -0.63 116.57 114.45 1xs8 h LYS 36 Ca -0.30 -0.38 -0.02 0.00 -1.87 0.00 0.00 60.65 58.07 1xs8 h LYS 36 Cb 1.07 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 1xs8 h LYS 36 CO 0.30 1.00 0.16 0.22 -0.57 0.00 0.00 179.45 180.57 1xs8 h ASP 37 N 0.47 0.49 -0.62 0.86 3.58 -1.96 0.34 116.42 119.58 1xs8 h ASP 37 Ca 0.05 -0.15 -0.09 0.00 0.42 0.00 0.00 57.03 57.25 1xs8 h ASP 37 Cb 0.88 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.77 1xs8 h ASP 37 CO 0.07 0.50 0.03 0.00 -2.88 0.00 0.00 179.24 176.97 1xs8 h ALA 38 N 1.01 0.87 0.08 -0.78 0.00 -1.95 0.18 119.26 118.65 1xs8 h ALA 38 Ca 0.12 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1xs8 h ALA 38 Cb 0.16 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1xs8 h ALA 38 CO -0.01 0.67 -0.04 2.35 0.00 0.00 0.00 179.25 182.22 1xs8 h TRP 39 N 1.00 -0.10 -0.11 0.00 2.91 -0.74 -1.43 115.95 117.49 1xs8 h TRP 39 Ca 0.18 -0.00 -0.07 0.00 1.13 0.00 0.00 58.89 60.13 1xs8 h TRP 39 Cb 0.53 0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 29.20 1xs8 h TRP 39 CO 0.04 0.06 -0.25 0.00 -1.03 0.00 0.00 178.44 177.26 1xs8 h ALA 40 N 0.68 1.38 -0.49 2.65 0.00 -0.24 -1.06 119.26 122.17 1xs8 h ALA 40 Ca -0.01 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 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 0.02 0.44 0.21 0.37 0.00 0.00 0.00 179.25 180.28 1xs8 h GLN 41 N 0.18 0.73 -0.45 0.00 4.15 -0.38 0.16 115.11 119.50 1xs8 h GLN 41 Ca 0.03 -0.13 -0.10 0.00 0.77 0.00 0.00 58.65 59.23 1xs8 h GLN 41 Cb 0.55 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 1xs8 h GLN 41 CO 0.04 0.64 -0.09 2.35 -1.93 0.00 0.00 178.83 179.84 1xs8 h TRP 42 N 0.66 0.96 -0.62 3.99 -0.00 -0.82 -0.56 115.95 119.56 1xs8 h TRP 42 Ca 0.17 -0.20 0.00 0.00 -0.00 0.00 0.00 58.89 58.86 1xs8 h TRP 42 Cb 0.18 -0.24 -0.03 0.00 -0.00 0.00 0.00 29.16 29.07 1xs8 h TRP 42 CO 0.00 0.95 0.41 1.96 -0.00 0.00 0.00 178.44 181.76 1xs8 h GLN 43 N 0.70 0.82 -0.58 2.65 4.20 -0.92 0.27 115.11 122.25 1xs8 h GLN 43 Ca 0.12 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 1xs8 h GLN 43 Cb 0.63 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 1xs8 h GLN 43 CO 0.04 0.55 0.32 1.25 -0.67 0.00 0.00 178.83 180.32 1xs8 h HIS 44 N 0.84 0.79 -0.40 2.96 2.76 -0.54 0.59 115.15 122.15 1xs8 h HIS 44 Ca 0.23 -0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.35 1xs8 h HIS 44 Cb -0.09 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.60 1xs8 h HIS 44 CO -0.03 0.57 0.15 -0.22 -1.30 0.00 0.00 177.93 177.10 1xs8 h LYS 45 N 0.78 0.60 -0.35 5.26 3.11 -0.51 -2.56 116.57 122.90 1xs8 h LYS 45 Ca 0.20 -0.12 -0.08 0.00 -2.81 0.00 0.00 60.65 57.85 1xs8 h LYS 45 Cb 0.04 -0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 31.16 1xs8 h LYS 45 CO -0.03 0.58 -0.11 0.37 -2.81 0.00 0.00 179.45 177.45 1xs8 h GLN 46 N 0.50 0.60 -0.61 1.90 5.75 -0.22 -0.68 115.11 122.34 1xs8 h GLN 46 Ca 0.13 -0.18 0.05 0.00 -0.15 0.00 0.00 58.65 58.50 1xs8 h GLN 46 Cb 0.21 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.65 1xs8 h GLN 46 CO -0.01 0.70 0.34 1.15 -2.65 0.00 0.00 178.83 178.36 1xs8 h THR 47 N 0.55 0.99 -0.36 2.39 2.02 -0.59 0.20 112.91 118.11 1xs8 h THR 47 Ca 0.10 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 1xs8 h THR 47 Cb 0.52 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1xs8 h THR 47 CO 0.03 0.12 0.16 -0.03 0.37 0.00 0.00 175.52 176.17 1xs8 h MET 48 N 0.65 0.53 -0.59 6.66 1.85 -1.03 -2.31 114.93 120.68 1xs8 h MET 48 Ca 0.27 -0.08 0.02 0.00 -0.61 0.00 0.00 59.70 59.29 1xs8 h MET 48 Cb 0.13 -0.09 -0.03 0.00 0.43 0.00 0.00 31.60 32.04 1xs8 h MET 48 CO -0.16 0.49 0.38 -0.07 -0.40 0.00 0.00 176.91 177.15 1xs8 h LEU 49 N 0.44 0.64 -0.66 3.39 3.38 -0.22 -0.14 115.31 122.13 1xs8 h LEU 49 Ca 0.12 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1xs8 h LEU 49 Cb 0.14 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1xs8 h LEU 49 CO -0.01 0.45 0.37 0.40 0.09 0.00 0.00 178.44 179.74 1xs8 h ILE 50 N 0.76 1.21 -0.59 1.22 2.04 -0.55 -0.78 117.51 120.82 1xs8 h ILE 50 Ca 0.23 -0.52 -0.10 0.00 1.00 0.00 0.00 64.86 65.47 1xs8 h ILE 50 Cb -0.04 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 1xs8 h ILE 50 CO -0.07 0.23 -0.01 -1.13 0.00 0.00 0.00 178.15 177.17 1xs8 h ASN 51 N 0.91 1.03 -0.00 1.72 -1.24 -0.83 0.79 115.58 117.96 1xs8 h ASN 51 Ca 0.23 -0.31 -0.22 0.00 0.71 0.00 0.00 56.30 56.71 1xs8 h ASN 51 Cb 0.04 -0.28 0.02 0.00 0.73 0.00 0.00 38.32 38.83 1xs8 h ASN 51 CO -0.04 1.09 -0.87 -0.33 -1.29 0.00 0.00 177.43 175.99 1xs8 h GLU 52 N 0.94 0.59 0.00 6.67 4.39 -0.85 -3.32 114.58 123.01 1xs8 h GLU 52 Ca 0.17 -0.64 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1xs8 h GLU 52 Cb 0.57 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1xs8 h GLU 52 CO 0.03 1.24 -0.92 1.63 -1.16 0.00 0.00 179.01 179.83 1xs8 n LYS 53 N -4.00 0.23 -3.08 2.33 5.02 -0.32 -5.02 118.16 113.33 1xs8 n LYS 53 Ca -0.11 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.01 1xs8 n LYS 53 Cb 0.80 -1.58 0.02 0.00 -0.02 0.00 0.00 35.03 34.25 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 -1.88 -2.21 -4.91 1.97 5.02 0.27 -5.02 118.16 111.40 1xs8 n LYS 54 Ca 0.03 1.87 -0.30 0.00 -2.02 0.00 0.00 58.31 57.89 1xs8 n LYS 54 Cb 0.42 -4.50 -0.15 0.00 -0.02 0.00 0.00 35.03 30.78 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 -2.63 2.22 0.06 -0.35 0.05 -1.22 -5.08 118.68 111.72 1xs8 s LEU 55 Ca 0.28 -0.56 -0.25 0.00 0.05 0.00 0.00 54.13 53.66 1xs8 s LEU 55 Cb -0.06 -1.32 -0.06 0.00 -2.05 0.00 0.00 46.19 42.70 1xs8 s LEU 55 CO 0.81 0.26 0.75 0.20 -0.55 0.00 0.00 176.35 177.82 1xs8 s ASN 56 N -1.21 7.22 0.35 1.48 0.02 -1.26 -4.97 114.94 116.57 1xs8 s ASN 56 Ca 0.12 1.45 0.23 0.00 -1.02 0.00 0.00 52.86 53.65 1xs8 s ASN 56 Cb -0.10 -2.46 0.28 0.00 0.02 0.00 0.00 41.25 38.99 1xs8 s ASN 56 CO 0.02 0.05 1.46 0.24 0.02 0.00 0.00 177.10 178.89 1xs8 h MET 57 N 5.47 0.00 -0.06 -0.60 2.86 -1.99 -3.28 114.93 117.33 1xs8 h MET 57 Ca -0.44 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.01 1xs8 h MET 57 Cb 1.21 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.86 1xs8 h MET 57 CO 0.70 0.00 -0.76 0.52 1.06 0.00 0.00 176.91 178.43 1xs8 h MET 58 N 0.00 0.37 -6.55 1.72 2.86 -1.99 -3.42 114.93 107.91 1xs8 h MET 58 Ca 0.00 -0.32 -0.53 0.00 -2.06 0.00 0.00 59.70 56.80 1xs8 h MET 58 Cb 0.97 0.07 0.03 0.00 0.06 0.00 0.00 31.60 32.73 1xs8 h MET 58 CO 0.00 0.97 0.88 -0.80 1.06 0.00 0.00 176.91 179.02 1xs8 s ASN 59 N -6.97 6.64 0.60 1.22 -0.87 -1.24 -4.86 114.94 109.46 1xs8 s ASN 59 Ca -0.05 2.52 0.32 0.00 -1.57 0.00 0.00 52.86 54.08 1xs8 s ASN 59 Cb 0.10 -2.58 1.92 0.00 -0.02 0.00 0.00 41.25 40.67 1xs8 s ASN 59 CO 0.84 -0.81 2.27 0.00 -2.57 0.00 0.00 177.10 176.83 1xs8 h ALA 60 N 7.23 1.43 -0.06 0.60 0.00 -1.90 -1.54 119.26 125.02 1xs8 h ALA 60 Ca -0.42 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.50 1xs8 h ALA 60 Cb 1.20 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1xs8 h ALA 60 CO 0.91 0.00 -0.35 0.93 0.00 0.00 0.00 179.25 180.75 1xs8 h GLU 61 N 0.00 -0.37 0.00 0.00 5.08 -1.93 -1.14 114.58 116.22 1xs8 h GLU 61 Ca -0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1xs8 h GLU 61 Cb 0.01 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1xs8 h GLU 61 CO 0.00 -0.25 -0.11 0.45 -1.00 0.00 0.00 179.01 178.10 1xs8 h HIS 62 N -0.39 0.00 0.01 4.33 3.86 -1.69 -2.68 115.15 118.59 1xs8 h HIS 62 Ca 0.02 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1xs8 h HIS 62 Cb 0.44 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.91 1xs8 h HIS 62 CO -0.51 0.00 -0.00 -0.09 0.86 0.00 0.00 177.93 178.18 1xs8 h ARG 63 N 0.00 -0.01 0.00 2.45 9.65 -1.04 0.05 114.38 125.48 1xs8 h ARG 63 Ca 0.00 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.78 1xs8 h ARG 63 Cb 0.92 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.49 1xs8 h ARG 63 CO 0.00 0.24 -0.46 1.57 2.80 0.00 0.00 179.97 184.12 1xs8 h LYS 64 N -0.26 0.00 0.25 0.20 2.10 -1.22 -1.59 116.57 116.04 1xs8 h LYS 64 Ca -0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1xs8 h LYS 64 Cb 0.26 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.58 1xs8 h LYS 64 CO 0.00 0.46 -0.14 1.25 -2.00 0.00 0.00 179.45 179.02 1xs8 h LEU 65 N 0.00 -0.34 -0.64 7.07 5.85 -1.29 0.25 115.31 126.21 1xs8 h LEU 65 Ca -0.00 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.76 1xs8 h LEU 65 Cb 0.99 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 1xs8 h LEU 65 CO 0.06 -0.23 0.39 0.25 -0.34 0.00 0.00 178.44 178.57 1xs8 h LEU 66 N -0.37 0.64 0.23 2.25 5.85 -0.83 -1.53 115.31 121.55 1xs8 h LEU 66 Ca -0.03 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1xs8 h LEU 66 Cb 0.30 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 1xs8 h LEU 66 CO 0.04 0.44 -0.14 -0.08 -0.34 0.00 0.00 178.44 178.36 1xs8 h GLU 67 N 0.77 -0.34 -0.06 1.25 4.81 -1.10 0.15 114.58 120.07 1xs8 h GLU 67 Ca 0.26 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.53 1xs8 h GLU 67 Cb 0.03 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1xs8 h GLU 67 CO -0.11 -0.22 -0.05 1.96 -0.73 0.00 0.00 179.01 179.86 1xs8 h GLN 68 N -0.35 -0.05 -0.28 1.92 4.20 -0.77 -1.23 115.11 118.55 1xs8 h GLN 68 Ca -0.02 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 1xs8 h GLN 68 Cb 0.29 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 1xs8 h GLN 68 CO 0.02 -0.04 -0.09 0.93 -0.67 0.00 0.00 178.83 178.99 1xs8 h GLU 69 N -0.06 0.45 0.10 1.46 4.39 -1.19 -1.61 114.58 118.13 1xs8 h GLU 69 Ca 0.04 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1xs8 h GLU 69 Cb 0.11 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1xs8 h GLU 69 CO -0.09 0.55 -0.05 1.98 -1.16 0.00 0.00 179.01 180.23 1xs8 h MET 70 N 0.42 -0.14 0.00 2.33 4.05 -0.20 0.23 114.93 121.64 1xs8 h MET 70 Ca 0.08 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.51 1xs8 h MET 70 Cb 0.42 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.25 1xs8 h MET 70 CO 0.02 0.06 0.00 0.28 0.23 0.00 0.00 176.91 177.50 1xs8 n VAL 71 N -5.07 0.70 -0.04 -5.77 0.31 -0.51 -2.09 118.33 105.85 1xs8 n VAL 71 Ca -0.08 0.17 -0.03 0.00 -0.01 0.00 0.00 64.34 64.39 1xs8 n VAL 71 Cb 0.15 -0.85 -0.01 0.00 -0.91 0.00 0.00 33.84 32.22 1xs8 n VAL 71 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1xs8 n SER 72 N -1.50 1.11 -0.19 4.52 7.64 -0.62 0.09 113.62 124.67 1xs8 n SER 72 Ca 0.05 0.48 0.04 0.00 1.01 0.00 0.00 58.87 60.44 1xs8 n SER 72 Cb 0.22 -0.72 0.31 0.00 -1.01 0.00 0.00 64.21 63.01 1xs8 n SER 72 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1xs8 h PHE 73 N -0.61 0.83 0.02 1.43 3.57 -0.57 -1.94 116.94 119.66 1xs8 h PHE 73 Ca 0.00 0.02 -0.40 0.00 3.53 0.00 0.00 57.97 61.12 1xs8 h PHE 73 Cb 0.32 -0.28 -0.06 0.00 2.79 0.00 0.00 35.95 38.72 1xs8 h PHE 73 CO -0.14 0.48 -2.34 1.28 -2.23 0.00 0.00 178.31 175.37 1xs8 n LEU 74 N -4.46 2.55 -0.13 0.59 4.77 -0.89 -4.78 117.00 114.65 1xs8 n LEU 74 Ca 0.09 0.09 -0.24 0.00 -0.03 0.00 0.00 56.01 55.93 1xs8 n LEU 74 Cb 0.13 -0.92 -0.11 0.00 -2.33 0.00 0.00 43.42 40.19 1xs8 n LEU 74 CO 0.35 0.77 -1.37 0.33 -1.33 0.00 0.00 177.39 176.14 1xs8 n PHE 75 N -3.67 0.06 -1.48 -1.77 -0.00 -1.20 -3.75 117.46 105.65 1xs8 n PHE 75 Ca -0.45 0.02 -0.15 0.00 -0.00 0.00 0.00 57.45 56.86 1xs8 n PHE 75 Cb 0.94 -1.01 -0.06 0.00 -0.00 0.00 0.00 39.48 39.35 1xs8 n PHE 75 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1xs8 n GLU 76 N -3.74 -1.36 -1.79 -4.13 -0.58 0.11 -4.82 120.64 104.33 1xs8 n GLU 76 Ca -0.49 0.89 -0.22 0.00 -0.42 0.00 0.00 57.16 56.92 1xs8 n GLU 76 Cb 0.94 -5.19 0.05 0.00 -0.57 0.00 0.00 31.44 26.67 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 -0.30 6.20 3.69 0.62 0.00 -1.21 -5.02 105.19 109.17 1xs8 n GLY 77 Ca -0.15 -2.47 -0.42 0.00 0.00 0.00 0.00 46.02 42.97 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 -3.58 4.27 0.27 1.61 -2.85 -1.25 -4.88 119.74 113.33 1xs8 s LYS 78 Ca 0.51 2.00 0.24 0.00 -1.00 0.00 0.00 55.97 57.72 1xs8 s LYS 78 Cb 0.41 -3.61 0.35 0.00 -2.06 0.00 0.00 37.83 32.92 1xs8 s LYS 78 CO 0.02 -0.61 1.44 0.38 0.10 0.00 0.00 175.35 176.68 1xs8 h ASP 79 N 8.00 0.00 -3.50 0.03 2.03 -1.96 -3.43 116.42 117.59 1xs8 h ASP 79 Ca -0.38 -0.05 -0.61 0.00 -0.73 0.00 0.00 57.03 55.26 1xs8 h ASP 79 Cb 1.18 0.00 -0.12 0.00 -0.83 0.00 0.00 39.33 39.56 1xs8 h ASP 79 CO 0.91 0.02 0.17 -0.69 -1.03 0.00 0.00 179.24 178.62 1xs8 s VAL 80 N -3.22 4.96 -0.02 4.15 1.01 -1.26 -5.04 120.40 120.98 1xs8 s VAL 80 Ca 0.06 1.02 -0.26 0.00 0.00 0.00 0.00 61.98 62.80 1xs8 s VAL 80 Cb 0.09 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1xs8 s VAL 80 CO 0.70 -0.05 0.83 -1.00 0.00 0.00 0.00 175.10 175.58 1xs8 s HIS 81 N 2.57 3.64 -0.39 5.22 3.76 -1.26 -5.02 115.29 123.81 1xs8 s HIS 81 Ca 0.26 1.48 -0.14 0.00 -0.15 0.00 0.00 55.06 56.50 1xs8 s HIS 81 Cb -0.15 -2.94 0.01 0.00 1.11 0.00 0.00 32.58 30.61 1xs8 s HIS 81 CO 0.10 0.08 0.28 0.42 -0.85 0.00 0.00 174.74 174.77 1xs8 s ILE 82 N 0.74 5.27 0.37 0.60 1.01 -1.26 -4.73 121.20 123.20 1xs8 s ILE 82 Ca 0.44 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.55 1xs8 s ILE 82 Cb -0.20 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.40 1xs8 s ILE 82 CO 0.23 -0.23 0.00 1.21 0.00 0.00 0.00 174.94 176.15 1xs8 n GLU 83 N 5.15 0.00 0.00 2.79 2.13 -1.26 -5.16 120.64 124.29 1xs8 n GLU 83 Ca -0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.71 1xs8 n GLU 83 Cb 0.48 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.19 1xs8 n GLU 83 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xs8 n GLY 84 N -0.69 3.68 2.69 8.31 0.00 -1.26 -5.14 105.19 112.78 1xs8 n GLY 84 Ca 0.00 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 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 1.68 0.46 -0.33 1.61 5.04 -1.26 -5.12 117.35 119.43 1xs8 s TYR 85 Ca 0.00 -0.26 -0.13 0.00 -2.44 0.00 0.00 57.07 54.24 1xs8 s TYR 85 Cb 0.00 -0.74 -0.02 0.00 0.35 0.00 0.00 41.96 41.54 1xs8 s TYR 85 CO 0.00 -0.41 0.24 -0.08 -1.34 0.00 0.00 175.55 173.96 1xs8 s THR 86 N 2.04 5.28 -0.01 4.34 -1.32 -1.26 -5.00 115.64 119.72 1xs8 s THR 86 Ca 0.03 -0.09 -0.03 0.00 -1.21 0.00 0.00 61.69 60.39 1xs8 s THR 86 Cb -0.14 -3.68 -0.02 0.00 -1.51 0.00 0.00 72.50 67.14 1xs8 s THR 86 CO -0.06 0.04 0.39 -0.65 -2.21 0.00 0.00 174.62 172.13 1xs8 h PRO 87 N 8.46 -0.10 -0.38 7.08 0.11 -2.09 -3.47 132.00 141.61 1xs8 h PRO 87 Ca -0.32 0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.63 1xs8 h PRO 87 Cb 1.16 0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 1xs8 h PRO 87 CO 0.62 -0.07 -0.15 0.39 -0.21 0.00 0.00 178.00 178.58 1xs8 n GLU 88 N -2.70 -1.61 -4.24 1.05 1.02 -1.26 -4.96 120.64 107.94 1xs8 n GLU 88 Ca -0.01 0.75 -0.32 0.00 -0.02 0.00 0.00 57.16 57.56 1xs8 n GLU 88 Cb 0.04 -5.09 -0.08 0.00 -0.02 0.00 0.00 31.44 26.29 1xs8 n GLU 88 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1xs8 s ASP 89 N -2.33 5.19 -0.10 1.62 2.15 -1.26 -5.01 116.67 116.93 1xs8 s ASP 89 Ca 0.00 -0.01 0.14 0.00 0.43 0.00 0.00 52.55 53.11 1xs8 s ASP 89 Cb 0.00 -1.36 0.21 0.00 -0.30 0.00 0.00 42.92 41.47 1xs8 s ASP 89 CO 0.00 0.26 1.10 2.29 -0.17 0.00 0.00 175.17 178.66 1xs8 n LYS 90 N 1.25 1.52 0.00 4.34 2.85 -1.26 -5.28 118.16 121.57 1xs8 n LYS 90 Ca -0.14 -2.25 0.14 0.00 -1.05 0.00 0.00 58.31 55.01 1xs8 n LYS 90 Cb 0.53 -1.33 0.43 0.00 -0.65 0.00 0.00 35.03 34.00 1xs8 n LYS 90 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98