#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 0.00 -4.73 3.17 2.88 -1.26 -5.03 113.62 108.66 1xs8 n SER 2 Ca 0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 1xs8 n SER 2 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1xs8 n SER 2 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1xs8 s ARG 3 N 2.35 4.68 -0.54 -1.46 3.52 -1.26 -4.91 118.95 121.32 1xs8 s ARG 3 Ca 0.00 1.47 -0.23 0.00 -0.13 0.00 0.00 55.73 56.84 1xs8 s ARG 3 Cb 0.00 -3.38 0.04 0.00 -1.56 0.00 0.00 34.95 30.06 1xs8 s ARG 3 CO 0.00 0.17 0.88 0.95 -0.81 0.00 0.00 175.30 176.50 1xs8 s THR 4 N 0.10 4.48 0.11 4.11 -4.23 -1.26 -2.28 115.64 116.67 1xs8 s THR 4 Ca 0.48 0.13 0.04 0.00 -1.18 0.00 0.00 61.69 61.15 1xs8 s THR 4 Cb -0.23 -4.50 -0.04 0.00 1.34 0.00 0.00 72.50 69.07 1xs8 s THR 4 CO 0.30 -1.06 0.08 0.27 -0.54 0.00 0.00 174.62 173.67 1xs8 s ILE 5 N 3.70 4.40 -0.49 2.99 -5.25 0.75 -4.81 121.20 122.48 1xs8 s ILE 5 Ca 0.27 -0.92 -0.24 0.00 -0.99 0.00 0.00 60.65 58.78 1xs8 s ILE 5 Cb -0.14 -3.15 0.03 0.00 2.95 0.00 0.00 42.46 42.15 1xs8 s ILE 5 CO 0.18 0.05 0.85 -0.36 -1.79 0.00 0.00 174.94 173.86 1xs8 s PHE 6 N -1.49 2.92 0.36 1.37 0.40 -1.26 0.54 117.98 120.81 1xs8 s PHE 6 Ca 0.29 0.10 -0.27 0.00 -0.60 0.00 0.00 56.93 56.45 1xs8 s PHE 6 Cb -0.11 -3.83 -0.09 0.00 0.51 0.00 0.00 43.02 39.49 1xs8 s PHE 6 CO 0.22 -1.12 1.22 0.00 0.70 0.00 0.00 175.22 176.24 1xs8 h THR 8 N 2.69 1.27 -0.25 0.00 1.35 -1.60 0.31 112.91 116.69 1xs8 h THR 8 Ca -0.49 -0.94 -0.09 0.00 -0.55 0.00 0.00 66.41 64.35 1xs8 h THR 8 Cb 1.23 1.55 -0.00 0.00 -1.73 0.00 0.00 68.15 69.20 1xs8 h THR 8 CO 0.64 0.28 -0.19 0.22 -0.25 0.00 0.00 175.52 176.22 1xs8 h TYR 9 N 0.04 0.68 0.12 4.73 3.20 -1.81 -3.28 116.97 120.64 1xs8 h TYR 9 Ca 0.05 -0.19 -0.27 0.00 3.14 0.00 0.00 58.73 61.46 1xs8 h TYR 9 Cb 0.43 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1xs8 h TYR 9 CO 0.04 0.87 -1.23 -0.07 -1.64 0.00 0.00 178.16 176.13 1xs8 h LEU 10 N 0.28 0.38 0.24 2.82 3.38 -1.92 -3.47 115.31 117.03 1xs8 h LEU 10 Ca 0.05 -0.41 -0.10 0.00 0.09 0.00 0.00 57.88 57.50 1xs8 h LEU 10 Cb 0.73 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 1xs8 h LEU 10 CO 0.05 1.32 -0.09 0.00 0.09 0.00 0.00 178.44 179.81 1xs8 n GLN 11 N -3.51 -1.16 -4.45 1.13 1.13 0.11 -4.98 117.38 105.65 1xs8 n GLN 11 Ca -0.08 0.56 -0.25 0.00 -1.94 0.00 0.00 57.00 55.29 1xs8 n GLN 11 Cb 1.02 -4.56 -0.11 0.00 0.11 0.00 0.00 30.24 26.70 1xs8 n GLN 11 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1xs8 s ARG 12 N -1.97 1.65 0.20 -1.09 6.06 -1.25 -4.84 118.95 117.71 1xs8 s ARG 12 Ca 0.00 -1.67 -0.31 0.00 -2.50 0.00 0.00 55.73 51.25 1xs8 s ARG 12 Cb 0.00 -1.81 -0.10 0.00 0.06 0.00 0.00 34.95 33.10 1xs8 s ARG 12 CO 0.00 0.36 1.47 0.16 -2.50 0.00 0.00 175.30 174.78 1xs8 s ASP 13 N -3.21 6.67 0.28 -2.12 -4.77 -1.26 -1.10 116.67 111.16 1xs8 s ASP 13 Ca 0.27 2.58 0.02 0.00 -3.30 0.00 0.00 52.55 52.11 1xs8 s ASP 13 Cb -0.06 -2.61 -0.03 0.00 -1.09 0.00 0.00 42.92 39.14 1xs8 s ASP 13 CO 0.13 -0.72 0.27 0.00 0.70 0.00 0.00 175.17 175.55 1xs8 s ALA 14 N 0.57 1.35 0.09 2.11 0.00 0.19 -4.90 121.76 121.16 1xs8 s ALA 14 Ca 0.64 -1.80 -0.10 0.00 0.00 0.00 0.00 51.96 50.69 1xs8 s ALA 14 Cb -0.41 1.38 -0.06 0.00 0.00 0.00 0.00 23.12 24.03 1xs8 s ALA 14 CO 0.37 -0.67 0.41 -1.83 0.00 0.00 0.00 175.76 174.03 1xs8 s GLU 15 N -3.65 3.76 0.23 0.00 -1.05 -1.26 -0.18 118.70 116.55 1xs8 s GLU 15 Ca 0.38 0.18 -0.32 0.00 -0.15 0.00 0.00 54.97 55.06 1xs8 s GLU 15 Cb 0.03 -2.99 -0.12 0.00 -0.44 0.00 0.00 34.13 30.62 1xs8 s GLU 15 CO 0.20 0.55 1.68 0.41 0.95 0.00 0.00 175.26 179.05 1xs8 n GLY 16 N 0.86 1.45 0.00 -3.83 0.00 -0.97 -4.53 105.19 98.17 1xs8 n GLY 16 Ca -0.08 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 3.44 0.00 -2.55 1.61 6.02 -1.23 -4.89 117.38 119.78 1xs8 n GLN 17 Ca 0.14 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 57.08 1xs8 n GLN 17 Cb 0.35 -0.33 -0.02 0.00 1.02 0.00 0.00 30.24 31.26 1xs8 n GLN 17 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1xs8 n ASP 18 N 0.00 -0.30 -5.02 1.08 8.00 -1.26 -4.98 116.55 114.06 1xs8 n ASP 18 Ca 0.00 -1.65 -0.21 0.00 0.71 0.00 0.00 54.79 53.64 1xs8 n ASP 18 Cb 0.00 0.63 0.06 0.00 -0.02 0.00 0.00 41.12 41.79 1xs8 n ASP 18 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1xs8 s PHE 19 N -3.17 1.25 -0.61 1.24 0.08 -1.26 -4.99 117.98 110.53 1xs8 s PHE 19 Ca 0.11 -0.79 -0.26 0.00 0.12 0.00 0.00 56.93 56.11 1xs8 s PHE 19 Cb 0.00 -2.14 -0.03 0.00 -0.57 0.00 0.00 43.02 40.28 1xs8 s PHE 19 CO 0.08 -1.15 1.98 -0.65 -0.10 0.00 0.00 175.22 175.37 1xs8 s GLN 20 N -4.65 2.51 -0.01 0.44 1.11 -1.26 -4.72 119.66 113.08 1xs8 s GLN 20 Ca 0.58 0.70 0.19 0.00 0.01 0.00 0.00 55.36 56.85 1xs8 s GLN 20 Cb -0.05 -4.47 -0.25 0.00 -1.01 0.00 0.00 33.01 27.23 1xs8 s GLN 20 CO 0.37 -2.90 0.63 1.47 0.01 0.00 0.00 175.29 174.87 1xs8 n LEU 21 N 13.51 0.48 0.02 2.90 -0.00 -1.26 -4.93 117.00 127.71 1xs8 n LEU 21 Ca 0.25 -0.27 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 1xs8 n LEU 21 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 1xs8 n LEU 21 CO 0.70 0.12 0.00 0.00 -0.00 0.00 0.00 177.39 178.21 1xs8 n TYR 22 N -1.79 -1.74 -2.33 1.47 9.36 -1.26 -5.14 117.16 115.72 1xs8 n TYR 22 Ca 0.00 0.15 -0.39 0.00 3.32 0.00 0.00 57.90 60.98 1xs8 n TYR 22 Cb 0.40 0.64 -0.03 0.00 -0.63 0.00 0.00 39.34 39.72 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 4.31 0.00 2.98 0.02 -1.26 -5.04 135.00 134.01 1xs8 s PRO 23 Ca 0.00 1.88 0.00 0.00 0.02 0.00 0.00 61.00 62.90 1xs8 s PRO 23 Cb 0.00 -2.91 0.00 0.00 0.02 0.00 0.00 34.50 31.61 1xs8 s PRO 23 CO 0.00 -0.11 0.00 0.41 -0.33 0.00 0.00 177.00 176.97 1xs8 n GLY 24 N 0.82 1.14 0.24 0.52 0.00 -1.26 -4.56 105.19 102.09 1xs8 n GLY 24 Ca 0.02 -1.29 0.05 0.00 0.00 0.00 0.00 46.02 44.80 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 0.11 -0.07 1.61 4.11 -1.98 -0.34 114.58 118.02 1xs8 h GLU 25 Ca 0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.41 1xs8 h GLU 25 Cb 0.00 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1xs8 h GLU 25 CO 0.00 0.22 0.03 1.25 0.07 0.00 0.00 179.01 180.57 1xs8 h LEU 26 N 0.11 0.10 -0.67 3.06 5.85 -2.00 -0.23 115.31 121.52 1xs8 h LEU 26 Ca 0.02 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.48 1xs8 h LEU 26 Cb 0.24 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1xs8 h LEU 26 CO 0.01 0.22 -0.13 1.23 -0.34 0.00 0.00 178.44 179.44 1xs8 h GLY 27 N -0.04 0.97 0.76 3.75 0.00 -1.69 -2.54 103.07 104.28 1xs8 h GLY 27 Ca 0.02 -0.77 0.04 0.00 0.00 0.00 0.00 47.33 46.62 1xs8 h GLY 27 CO -0.00 0.71 0.20 1.70 0.00 0.00 0.00 176.54 179.15 1xs8 h LYS 28 N 0.80 0.40 -0.52 4.80 3.64 -0.89 0.37 116.57 125.16 1xs8 h LYS 28 Ca 0.12 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.54 1xs8 h LYS 28 Cb 0.66 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.34 1xs8 h LYS 28 CO 0.05 0.26 0.24 -0.09 -2.27 0.00 0.00 179.45 177.64 1xs8 h ARG 29 N 0.41 0.45 -0.26 1.90 2.43 -0.86 -1.36 114.38 117.09 1xs8 h ARG 29 Ca 0.18 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1xs8 h ARG 29 Cb 0.10 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1xs8 h ARG 29 CO -0.14 0.30 -0.02 0.82 -1.51 0.00 0.00 179.97 179.42 1xs8 h ILE 30 N 0.46 1.17 0.00 1.20 2.04 -0.94 -1.07 117.51 120.37 1xs8 h ILE 30 Ca 0.24 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1xs8 h ILE 30 Cb 0.19 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1xs8 h ILE 30 CO -0.19 0.23 0.00 1.88 0.00 0.00 0.00 178.15 180.07 1xs8 h TYR 31 N 0.39 0.00 -0.01 1.37 0.05 0.19 0.76 116.97 119.71 1xs8 h TYR 31 Ca 0.09 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.87 1xs8 h TYR 31 Cb 0.29 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.03 1xs8 h TYR 31 CO 0.01 0.00 -0.03 0.09 -1.05 0.00 0.00 178.16 177.17 1xs8 n ASN 32 N -2.74 1.51 0.00 3.88 3.02 -0.41 -3.54 115.26 116.98 1xs8 n ASN 32 Ca 0.01 -1.45 0.00 0.00 -0.03 0.00 0.00 54.58 53.11 1xs8 n ASN 32 Cb 0.23 0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 1xs8 n ASN 32 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1xs8 n GLU 33 N 0.12 1.79 -4.38 3.52 1.02 0.11 -4.83 120.64 117.99 1xs8 n GLU 33 Ca 0.18 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 57.02 1xs8 n GLU 33 Cb 0.37 -0.95 -0.11 0.00 -0.02 0.00 0.00 31.44 30.72 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 -1.90 3.01 0.47 -3.67 -1.09 0.24 -1.68 121.20 116.58 1xs8 s ILE 34 Ca 0.00 -1.32 0.07 0.00 -2.23 0.00 0.00 60.65 57.17 1xs8 s ILE 34 Cb 0.00 -2.36 0.00 0.00 -1.58 0.00 0.00 42.46 38.53 1xs8 s ILE 34 CO 0.00 0.18 0.39 -0.55 -1.23 0.00 0.00 174.94 173.73 1xs8 s SER 35 N -1.94 4.85 0.39 3.58 0.15 -1.26 -4.34 113.70 115.13 1xs8 s SER 35 Ca 0.18 -0.95 0.10 0.00 0.70 0.00 0.00 55.95 55.98 1xs8 s SER 35 Cb -0.11 -0.18 0.89 0.00 -1.71 0.00 0.00 66.02 64.91 1xs8 s SER 35 CO 0.10 -0.83 1.94 0.11 1.20 0.00 0.00 173.24 175.75 1xs8 h LYS 36 N 0.92 0.58 0.70 5.44 1.57 -1.93 -0.16 116.57 123.69 1xs8 h LYS 36 Ca -0.39 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.32 1xs8 h LYS 36 Cb 1.28 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 33.46 1xs8 h LYS 36 CO 0.58 0.38 -0.34 0.22 -0.57 0.00 0.00 179.45 179.72 1xs8 h ASP 37 N 0.59 -0.79 -0.68 0.86 1.82 -1.96 -0.35 116.42 115.90 1xs8 h ASP 37 Ca 0.35 0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 57.01 1xs8 h ASP 37 Cb 0.55 0.21 -0.03 0.00 0.68 0.00 0.00 39.33 40.73 1xs8 h ASP 37 CO -0.12 -0.41 0.42 0.00 -1.61 0.00 0.00 179.24 177.52 1xs8 h ALA 38 N -1.24 1.44 0.33 -0.78 0.00 -1.91 0.37 119.26 117.48 1xs8 h ALA 38 Ca -0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1xs8 h ALA 38 Cb 0.72 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1xs8 h ALA 38 CO 0.16 0.49 -0.16 2.35 0.00 0.00 0.00 179.25 182.09 1xs8 h TRP 39 N 0.95 -0.41 -0.67 0.00 2.91 -1.01 -0.23 115.95 117.49 1xs8 h TRP 39 Ca 0.25 -0.01 -0.07 0.00 1.13 0.00 0.00 58.89 60.19 1xs8 h TRP 39 Cb -0.05 0.14 -0.03 0.00 -0.51 0.00 0.00 29.16 28.71 1xs8 h TRP 39 CO 0.00 -0.26 0.15 0.00 -1.03 0.00 0.00 178.44 177.30 1xs8 h ALA 40 N 0.23 1.00 -0.47 2.65 0.00 -0.62 -2.13 119.26 119.91 1xs8 h ALA 40 Ca -0.05 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 1xs8 h ALA 40 Cb 0.34 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1xs8 h ALA 40 CO 0.08 0.65 -0.08 1.96 0.00 0.00 0.00 179.25 181.85 1xs8 h GLN 41 N 1.02 0.89 -0.45 0.00 1.08 -0.80 -1.28 115.11 115.55 1xs8 h GLN 41 Ca 0.21 -0.33 -0.12 0.00 -1.45 0.00 0.00 58.65 56.96 1xs8 h GLN 41 Cb 0.38 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 1xs8 h GLN 41 CO 0.00 0.97 -0.18 2.35 -0.95 0.00 0.00 178.83 181.02 1xs8 h TRP 42 N 0.73 1.06 -0.63 2.96 -0.00 -0.90 -1.36 115.95 117.82 1xs8 h TRP 42 Ca 0.12 -0.25 -0.04 0.00 -0.00 0.00 0.00 58.89 58.72 1xs8 h TRP 42 Cb 0.62 -0.25 -0.03 0.00 -0.00 0.00 0.00 29.16 29.51 1xs8 h TRP 42 CO 0.05 1.05 0.23 1.96 -0.00 0.00 0.00 178.44 181.73 1xs8 h GLN 43 N 0.77 0.95 -0.14 2.65 4.20 -1.30 0.24 115.11 122.48 1xs8 h GLN 43 Ca 0.11 -0.18 0.03 0.00 0.06 0.00 0.00 58.65 58.66 1xs8 h GLN 43 Cb 0.75 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 1xs8 h GLN 43 CO 0.06 0.82 -0.07 1.25 -0.67 0.00 0.00 178.83 180.22 1xs8 h HIS 44 N 0.89 -0.15 0.23 2.96 2.76 -1.03 0.14 115.15 120.95 1xs8 h HIS 44 Ca 0.21 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.38 1xs8 h HIS 44 Cb 0.23 0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.29 1xs8 h HIS 44 CO 0.01 -0.11 -0.11 -0.22 -1.30 0.00 0.00 177.93 176.21 1xs8 h LYS 45 N -0.05 -0.30 -0.83 5.26 1.63 -0.97 -2.65 116.57 118.65 1xs8 h LYS 45 Ca 0.08 0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.91 1xs8 h LYS 45 Cb 0.17 0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.82 1xs8 h LYS 45 CO -0.17 -0.07 0.55 0.37 -3.45 0.00 0.00 179.45 176.68 1xs8 h GLN 46 N -0.50 1.09 -0.68 1.90 5.75 -0.39 -0.78 115.11 121.51 1xs8 h GLN 46 Ca -0.03 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.35 1xs8 h GLN 46 Cb 0.37 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 1xs8 h GLN 46 CO 0.05 0.72 0.23 1.15 -2.65 0.00 0.00 178.83 178.33 1xs8 h THR 47 N 1.12 1.24 -0.54 2.39 2.02 -0.72 0.20 112.91 118.62 1xs8 h THR 47 Ca 0.30 -0.81 -0.07 0.00 0.77 0.00 0.00 66.41 66.60 1xs8 h THR 47 Cb -0.13 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 1xs8 h THR 47 CO -0.07 0.32 0.05 -0.03 0.37 0.00 0.00 175.52 176.16 1xs8 h MET 48 N 0.99 0.88 -0.16 6.66 1.85 -1.00 -2.31 114.93 121.84 1xs8 h MET 48 Ca 0.22 -0.23 -0.11 0.00 -0.61 0.00 0.00 59.70 58.98 1xs8 h MET 48 Cb 0.25 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 32.16 1xs8 h MET 48 CO -0.01 0.85 -0.37 -0.07 -0.40 0.00 0.00 176.91 176.90 1xs8 h LEU 49 N 0.83 0.35 -1.30 3.39 3.38 -0.25 -2.53 115.31 119.17 1xs8 h LEU 49 Ca 0.16 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1xs8 h LEU 49 Cb 0.42 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1xs8 h LEU 49 CO 0.01 0.70 0.10 0.40 0.09 0.00 0.00 178.44 179.74 1xs8 h ILE 50 N 0.28 1.18 -0.68 1.22 2.04 -0.12 0.45 117.51 121.88 1xs8 h ILE 50 Ca 0.03 -0.62 -0.07 0.00 1.00 0.00 0.00 64.86 65.20 1xs8 h ILE 50 Cb 0.79 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1xs8 h ILE 50 CO 0.06 0.23 0.16 0.78 0.00 0.00 0.00 178.15 179.38 1xs8 h ASN 51 N 0.57 1.03 0.31 1.72 2.35 -1.01 0.16 115.58 120.71 1xs8 h ASN 51 Ca 0.13 -0.22 -0.33 0.00 -0.55 0.00 0.00 56.30 55.33 1xs8 h ASN 51 Cb 0.21 -0.27 0.02 0.00 0.05 0.00 0.00 38.32 38.32 1xs8 h ASN 51 CO -0.00 0.99 -1.57 -0.33 -1.65 0.00 0.00 177.43 174.86 1xs8 h GLU 52 N 1.03 0.40 0.00 0.81 4.39 -1.20 -3.28 114.58 116.73 1xs8 h GLU 52 Ca 0.22 -0.69 -0.09 0.00 0.34 0.00 0.00 59.36 59.13 1xs8 h GLU 52 Cb 0.37 0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1xs8 h GLU 52 CO 0.00 1.31 -0.42 0.87 -1.16 0.00 0.00 179.01 179.61 1xs8 h LYS 53 N 0.11 0.00 -5.60 2.33 1.57 -0.12 -3.47 116.57 111.39 1xs8 h LYS 53 Ca -0.28 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.09 1xs8 h LYS 53 Cb 2.10 0.00 0.08 0.00 0.08 0.00 0.00 32.23 34.48 1xs8 h LYS 53 CO 0.21 0.42 -0.67 1.63 -0.57 0.00 0.00 179.45 180.47 1xs8 n LYS 54 N -3.41 -6.59 -3.04 3.15 5.02 0.55 -4.96 118.16 108.87 1xs8 n LYS 54 Ca 0.01 0.79 -0.38 0.00 -2.02 0.00 0.00 58.31 56.70 1xs8 n LYS 54 Cb 0.59 -5.75 -0.06 0.00 -0.02 0.00 0.00 35.03 29.78 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 -7.13 4.52 0.06 -0.35 0.05 -1.22 -5.07 118.68 109.54 1xs8 s LEU 55 Ca 0.53 1.55 0.08 0.00 0.05 0.00 0.00 54.13 56.34 1xs8 s LEU 55 Cb -0.24 -3.34 -0.03 0.00 -2.05 0.00 0.00 46.19 40.52 1xs8 s LEU 55 CO 0.66 0.17 -0.21 0.20 -0.55 0.00 0.00 176.35 176.61 1xs8 s ASN 56 N -1.29 3.62 0.00 1.48 0.01 -1.26 -4.98 114.94 112.52 1xs8 s ASN 56 Ca 0.37 -0.52 0.26 0.00 -0.71 0.00 0.00 52.86 52.26 1xs8 s ASN 56 Cb -0.21 -0.48 1.18 0.00 0.41 0.00 0.00 41.25 42.15 1xs8 s ASN 56 CO 0.24 0.23 1.85 0.23 -1.51 0.00 0.00 177.10 178.14 1xs8 n MET 57 N 1.40 0.15 0.21 -0.60 2.81 -1.26 -2.18 117.12 117.65 1xs8 n MET 57 Ca -0.16 0.05 0.05 0.00 -1.81 0.00 0.00 57.70 55.83 1xs8 n MET 57 Cb 0.52 -1.50 0.46 0.00 -0.71 0.00 0.00 33.22 31.99 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 0.00 -5.76 0.03 2.86 -2.00 -3.42 114.93 106.65 1xs8 h MET 58 Ca 0.00 0.00 -0.60 0.00 -2.06 0.00 0.00 59.70 57.04 1xs8 h MET 58 Cb 0.36 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.93 1xs8 h MET 58 CO 0.00 0.28 0.41 -0.80 1.06 0.00 0.00 176.91 177.86 1xs8 s ASN 59 N -6.77 6.72 0.36 1.22 -0.87 -0.92 -4.93 114.94 109.75 1xs8 s ASN 59 Ca -0.03 0.82 0.09 0.00 -1.57 0.00 0.00 52.86 52.17 1xs8 s ASN 59 Cb 0.14 -2.41 0.82 0.00 -0.02 0.00 0.00 41.25 39.77 1xs8 s ASN 59 CO 0.69 -0.55 1.87 0.00 -2.57 0.00 0.00 177.10 176.54 1xs8 h ALA 60 N 7.92 1.83 -0.33 0.60 0.00 -1.86 -1.20 119.26 126.21 1xs8 h ALA 60 Ca -0.24 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.73 1xs8 h ALA 60 Cb 1.10 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1xs8 h ALA 60 CO 0.87 -0.07 0.08 1.49 0.00 0.00 0.00 179.25 181.62 1xs8 h GLU 61 N 0.69 0.20 0.07 0.00 4.81 -1.92 -3.04 114.58 115.39 1xs8 h GLU 61 Ca 0.44 -0.01 -0.27 0.00 -0.13 0.00 0.00 59.36 59.40 1xs8 h GLU 61 Cb 0.71 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 1xs8 h GLU 61 CO -0.20 0.13 -1.30 0.45 -0.73 0.00 0.00 179.01 177.35 1xs8 h HIS 62 N 0.20 0.27 -0.36 0.92 3.86 -1.48 -2.06 115.15 116.51 1xs8 h HIS 62 Ca 0.15 -0.20 -0.03 0.00 -1.16 0.00 0.00 60.37 59.14 1xs8 h HIS 62 Cb 0.16 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 1xs8 h HIS 62 CO -0.17 1.19 0.10 0.07 0.86 0.00 0.00 177.93 179.98 1xs8 h ARG 63 N 0.04 0.57 0.00 2.45 0.11 -1.42 0.43 114.38 116.56 1xs8 h ARG 63 Ca -0.14 -0.13 -0.12 0.00 0.10 0.00 0.00 59.98 59.68 1xs8 h ARG 63 Cb 1.93 -0.08 -0.02 0.00 1.11 0.00 0.00 29.97 32.91 1xs8 h ARG 63 CO 0.15 0.60 -0.59 1.57 0.10 0.00 0.00 179.97 181.80 1xs8 h LYS 64 N 0.43 0.00 -0.36 0.08 2.10 -1.61 -1.96 116.57 115.25 1xs8 h LYS 64 Ca 0.11 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.74 1xs8 h LYS 64 Cb 0.28 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.59 1xs8 h LYS 64 CO -0.00 0.59 0.14 1.25 -2.00 0.00 0.00 179.45 179.43 1xs8 h LEU 65 N 0.00 0.50 -0.85 7.07 7.12 -1.03 0.14 115.31 128.25 1xs8 h LEU 65 Ca -0.01 -0.17 -0.03 0.00 0.13 0.00 0.00 57.88 57.80 1xs8 h LEU 65 Cb 1.17 -0.13 -0.04 0.00 -0.53 0.00 0.00 40.66 41.13 1xs8 h LEU 65 CO 0.08 0.53 0.41 0.25 -0.13 0.00 0.00 178.44 179.58 1xs8 h LEU 66 N 0.44 1.12 -0.30 2.25 6.46 -0.77 0.54 115.31 125.04 1xs8 h LEU 66 Ca 0.12 -0.14 0.03 0.00 -0.12 0.00 0.00 57.88 57.77 1xs8 h LEU 66 Cb 0.19 -0.29 -0.03 0.00 -0.73 0.00 0.00 40.66 39.80 1xs8 h LEU 66 CO -0.01 0.95 0.11 -0.08 -0.62 0.00 0.00 178.44 178.79 1xs8 h GLU 67 N 1.22 0.24 -0.53 1.25 4.81 -0.90 -0.10 114.58 120.57 1xs8 h GLU 67 Ca 0.29 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.53 1xs8 h GLU 67 Cb 0.12 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 1xs8 h GLU 67 CO -0.04 0.16 0.32 1.96 -0.73 0.00 0.00 179.01 180.68 1xs8 h GLN 68 N 0.25 0.62 -0.36 1.92 4.20 -0.07 -0.60 115.11 121.06 1xs8 h GLN 68 Ca 0.13 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.83 1xs8 h GLN 68 Cb 0.09 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 1xs8 h GLN 68 CO -0.13 0.41 0.19 0.93 -0.67 0.00 0.00 178.83 179.57 1xs8 h GLU 69 N 0.64 0.39 0.23 1.46 5.08 -0.39 0.72 114.58 122.70 1xs8 h GLU 69 Ca 0.21 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1xs8 h GLU 69 Cb 0.02 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1xs8 h GLU 69 CO -0.09 0.26 -0.14 0.52 -1.00 0.00 0.00 179.01 178.55 1xs8 h MET 70 N 0.40 -0.34 0.00 2.33 2.86 -0.65 -1.64 114.93 117.88 1xs8 h MET 70 Ca 0.15 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1xs8 h MET 70 Cb 0.04 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 1xs8 h MET 70 CO -0.09 -0.23 -0.05 0.28 1.06 0.00 0.00 176.91 177.88 1xs8 h VAL 71 N -0.36 0.15 0.00 -2.22 2.07 -0.90 0.38 116.25 115.37 1xs8 h VAL 71 Ca -0.02 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1xs8 h VAL 71 Cb 0.30 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1xs8 h VAL 71 CO 0.02 0.05 -0.61 0.28 0.02 0.00 0.00 177.57 177.33 1xs8 h SER 72 N 0.00 0.00 0.00 0.57 0.02 -0.53 0.56 113.55 114.17 1xs8 h SER 72 Ca -0.00 -0.02 -0.39 0.00 -0.84 0.00 0.00 61.79 60.54 1xs8 h SER 72 Cb 0.48 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.97 1xs8 h SER 72 CO 0.01 0.01 -2.29 0.33 -1.14 0.00 0.00 176.83 173.75 1xs8 n PHE 73 N -2.74 0.00 0.10 3.45 7.35 -0.65 -3.23 117.46 121.75 1xs8 n PHE 73 Ca 0.02 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.66 1xs8 n PHE 73 Cb 0.53 -0.91 0.08 0.00 0.35 0.00 0.00 39.48 39.53 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 -0.99 0.16 0.00 -2.13 3.38 -0.45 -3.37 115.31 111.91 1xs8 h LEU 74 Ca -0.59 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.12 1xs8 h LEU 74 Cb 1.51 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 42.19 1xs8 h LEU 74 CO -0.36 0.83 -1.56 0.33 0.09 0.00 0.00 178.44 177.77 1xs8 n PHE 75 N -3.75 0.00 0.00 1.13 7.35 -1.06 -4.23 117.46 116.90 1xs8 n PHE 75 Ca -0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.67 1xs8 n PHE 75 Cb 0.70 -0.37 0.00 0.00 0.35 0.00 0.00 39.48 40.15 1xs8 n PHE 75 CO 0.00 0.00 0.00 -0.85 -0.76 0.00 0.00 176.76 175.15 1xs8 n GLU 76 N -3.01 0.00 -1.45 -4.13 0.28 0.19 -4.78 120.64 107.73 1xs8 n GLU 76 Ca -0.18 0.00 -0.26 0.00 -0.16 0.00 0.00 57.16 56.56 1xs8 n GLU 76 Cb 0.67 -0.87 -0.06 0.00 1.43 0.00 0.00 31.44 32.61 1xs8 n GLU 76 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xs8 n GLY 77 N -0.25 4.28 3.40 -1.84 0.00 -1.26 -4.85 105.19 104.67 1xs8 n GLY 77 Ca 0.00 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 43.88 1xs8 n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xs8 s LYS 78 N -1.58 1.86 0.00 1.61 0.00 -1.26 -5.03 119.74 115.33 1xs8 s LYS 78 Ca 0.59 -1.09 0.23 0.00 0.00 0.00 0.00 55.97 55.69 1xs8 s LYS 78 Cb 0.38 -2.06 0.05 0.00 0.00 0.00 0.00 37.83 36.20 1xs8 s LYS 78 CO -0.21 0.51 1.09 -0.40 0.00 0.00 0.00 175.35 176.35 1xs8 n ASP 79 N 1.54 0.79 -4.59 0.03 5.75 -1.26 -4.83 116.55 113.97 1xs8 n ASP 79 Ca -0.17 -0.67 -0.42 0.00 -0.01 0.00 0.00 54.79 53.51 1xs8 n ASP 79 Cb 0.52 0.73 -0.03 0.00 -1.03 0.00 0.00 41.12 41.31 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 -3.02 3.47 0.21 2.12 1.01 -1.26 -4.95 120.40 117.99 1xs8 s VAL 80 Ca 0.09 0.47 -0.30 0.00 0.00 0.00 0.00 61.98 62.24 1xs8 s VAL 80 Cb 0.16 -3.68 -0.08 0.00 0.00 0.00 0.00 36.38 32.78 1xs8 s VAL 80 CO 0.80 -0.46 1.03 -1.00 0.00 0.00 0.00 175.10 175.48 1xs8 s HIS 81 N 7.07 3.75 -0.88 5.22 3.76 -1.26 -4.98 115.29 127.97 1xs8 s HIS 81 Ca 0.78 1.76 -0.16 0.00 -0.15 0.00 0.00 55.06 57.29 1xs8 s HIS 81 Cb -0.21 -3.15 0.18 0.00 1.11 0.00 0.00 32.58 30.51 1xs8 s HIS 81 CO 0.32 -0.13 0.93 0.42 -0.85 0.00 0.00 174.74 175.43 1xs8 s ILE 82 N -0.74 5.25 0.00 0.60 1.01 -1.26 -4.55 121.20 121.50 1xs8 s ILE 82 Ca 0.45 -2.11 0.00 0.00 0.00 0.00 0.00 60.65 58.99 1xs8 s ILE 82 Cb -0.28 -4.60 0.00 0.00 0.01 0.00 0.00 42.46 37.58 1xs8 s ILE 82 CO 0.35 -1.24 0.00 -1.84 0.00 0.00 0.00 174.94 172.21 1xs8 n GLU 83 N 5.04 0.00 0.00 2.79 0.28 -1.26 -5.15 120.64 122.34 1xs8 n GLU 83 Ca 0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.18 1xs8 n GLU 83 Cb 0.48 -0.50 0.00 0.00 1.43 0.00 0.00 31.44 32.85 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 1.39 4.40 2.79 -1.84 0.00 -1.26 -5.11 105.19 105.55 1xs8 n GLY 84 Ca 0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 46.02 45.10 1xs8 n GLY 84 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xs8 n TYR 85 N -0.63 -3.37 -3.62 1.61 4.19 -1.26 -5.02 117.16 109.06 1xs8 n TYR 85 Ca 0.00 1.59 -0.29 0.00 3.31 0.00 0.00 57.90 62.50 1xs8 n TYR 85 Cb 0.00 -3.47 -0.14 0.00 0.49 0.00 0.00 39.34 36.23 1xs8 n TYR 85 CO 0.00 0.00 0.00 0.99 0.91 0.00 0.00 176.86 178.76 1xs8 s THR 86 N -1.35 0.67 -0.50 2.97 2.01 -1.26 -5.08 115.64 113.10 1xs8 s THR 86 Ca -0.04 -1.71 -0.17 0.00 0.31 0.00 0.00 61.69 60.07 1xs8 s THR 86 Cb 0.00 -1.50 0.08 0.00 0.01 0.00 0.00 72.50 71.09 1xs8 s THR 86 CO 0.65 -0.83 0.52 -2.16 -0.69 0.00 0.00 174.62 172.10 1xs8 s PRO 87 N 1.18 3.04 -0.22 4.92 0.04 -1.26 -5.06 135.00 137.65 1xs8 s PRO 87 Ca 0.14 -1.21 -0.22 0.00 0.04 0.00 0.00 61.00 59.74 1xs8 s PRO 87 Cb -0.21 -4.15 -0.02 0.00 0.04 0.00 0.00 34.50 30.17 1xs8 s PRO 87 CO -0.12 -1.18 0.72 -2.00 0.04 0.00 0.00 177.00 174.46 1xs8 s GLU 88 N 2.10 4.20 -0.04 4.56 2.12 -1.26 -5.04 118.70 125.33 1xs8 s GLU 88 Ca 0.09 0.76 0.02 0.00 0.36 0.00 0.00 54.97 56.19 1xs8 s GLU 88 Cb -0.23 -3.61 0.02 0.00 0.26 0.00 0.00 34.13 30.57 1xs8 s GLU 88 CO 0.08 -0.36 -0.07 0.34 -0.54 0.00 0.00 175.26 174.71 1xs8 s ASP 89 N 1.29 1.17 -0.05 -1.70 2.15 -1.26 -5.02 116.67 113.24 1xs8 s ASP 89 Ca 0.31 -0.18 0.08 0.00 0.43 0.00 0.00 52.55 53.19 1xs8 s ASP 89 Cb -0.16 -0.50 0.12 0.00 -0.30 0.00 0.00 42.92 42.08 1xs8 s ASP 89 CO 0.10 -0.01 1.06 0.29 -0.17 0.00 0.00 175.17 176.44 1xs8 n LYS 90 N 3.80 0.52 0.00 4.34 5.02 -1.26 -5.34 118.16 125.24 1xs8 n LYS 90 Ca -0.23 -1.64 0.00 0.00 -2.02 0.00 0.00 58.31 54.42 1xs8 n LYS 90 Cb 0.52 -0.90 0.00 0.00 -0.02 0.00 0.00 35.03 34.63 1xs8 n LYS 90 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51