#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 4.54 -0.69 3.17 0.01 -1.26 -5.07 113.70 114.40 1xs8 s SER 2 Ca 0.00 -0.35 -0.26 0.00 1.31 0.00 0.00 55.95 56.65 1xs8 s SER 2 Cb 0.00 -0.92 0.04 0.00 0.21 0.00 0.00 66.02 65.35 1xs8 s SER 2 CO 0.00 0.17 1.17 -0.60 0.41 0.00 0.00 173.24 174.39 1xs8 s ARG 3 N -2.29 3.21 -0.09 12.44 3.52 -1.26 -4.99 118.95 129.49 1xs8 s ARG 3 Ca 0.23 -0.35 -0.30 0.00 -0.13 0.00 0.00 55.73 55.18 1xs8 s ARG 3 Cb -0.11 -4.17 -0.02 0.00 -1.56 0.00 0.00 34.95 29.09 1xs8 s ARG 3 CO 0.15 -1.98 1.17 0.95 -0.81 0.00 0.00 175.30 174.78 1xs8 s THR 4 N 5.12 4.36 0.35 4.11 -4.23 -1.26 -0.67 115.64 123.42 1xs8 s THR 4 Ca 0.32 1.67 0.05 0.00 -1.18 0.00 0.00 61.69 62.56 1xs8 s THR 4 Cb -0.11 -4.07 -0.03 0.00 1.34 0.00 0.00 72.50 69.63 1xs8 s THR 4 CO 0.15 -0.03 0.21 0.27 -0.54 0.00 0.00 174.62 174.68 1xs8 s ILE 5 N 2.46 0.22 -0.39 2.99 -5.25 -0.34 -4.92 121.20 115.96 1xs8 s ILE 5 Ca 0.54 -2.00 -0.03 0.00 -0.99 0.00 0.00 60.65 58.17 1xs8 s ILE 5 Cb -0.23 -2.44 0.10 0.00 2.95 0.00 0.00 42.46 42.84 1xs8 s ILE 5 CO 0.19 0.00 0.18 -0.36 -1.79 0.00 0.00 174.94 173.16 1xs8 s PHE 6 N -3.40 3.53 -0.04 1.37 0.08 -1.26 -0.85 117.98 117.40 1xs8 s PHE 6 Ca 0.34 -2.28 -0.30 0.00 0.12 0.00 0.00 56.93 54.82 1xs8 s PHE 6 Cb 0.03 -3.04 -0.05 0.00 -0.57 0.00 0.00 43.02 39.39 1xs8 s PHE 6 CO 0.22 -0.94 1.44 0.00 -0.10 0.00 0.00 175.22 175.84 1xs8 h THR 8 N 5.15 1.25 -0.07 0.00 1.35 -1.08 0.70 112.91 120.22 1xs8 h THR 8 Ca -0.36 -1.16 -0.06 0.00 -0.55 0.00 0.00 66.41 64.28 1xs8 h THR 8 Cb 1.17 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 69.03 1xs8 h THR 8 CO 0.93 0.35 -0.22 0.22 -0.25 0.00 0.00 175.52 176.55 1xs8 h TYR 9 N 0.20 0.12 0.00 4.73 3.20 -1.74 -3.15 116.97 120.33 1xs8 h TYR 9 Ca 0.03 -0.02 -0.33 0.00 3.14 0.00 0.00 58.73 61.56 1xs8 h TYR 9 Cb 0.60 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.77 1xs8 h TYR 9 CO 0.01 0.33 -2.24 1.28 -1.64 0.00 0.00 178.16 175.90 1xs8 n LEU 10 N -4.23 0.15 -2.04 2.82 4.77 -0.74 -4.97 117.00 112.75 1xs8 n LEU 10 Ca -0.02 0.07 -0.19 0.00 -0.03 0.00 0.00 56.01 55.84 1xs8 n LEU 10 Cb 0.31 0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 41.79 1xs8 n LEU 10 CO 0.38 0.44 -0.23 0.00 -1.33 0.00 0.00 177.39 176.65 1xs8 n GLN 11 N -2.76 -1.48 -4.25 3.23 1.13 0.24 -4.96 117.38 108.52 1xs8 n GLN 11 Ca -0.28 0.95 -0.16 0.00 -1.94 0.00 0.00 57.00 55.57 1xs8 n GLN 11 Cb 1.10 -5.46 -0.09 0.00 0.11 0.00 0.00 30.24 25.89 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 -4.73 1.47 0.08 -1.09 0.52 -1.22 -4.99 118.95 108.98 1xs8 s ARG 12 Ca 0.00 -1.82 -0.31 0.00 -0.52 0.00 0.00 55.73 53.08 1xs8 s ARG 12 Cb 0.00 0.24 -0.08 0.00 0.52 0.00 0.00 34.95 35.63 1xs8 s ARG 12 CO 0.00 -0.50 1.47 0.34 0.02 0.00 0.00 175.30 176.63 1xs8 s ASP 13 N -3.27 6.76 0.25 0.23 2.15 -1.26 -2.64 116.67 118.88 1xs8 s ASP 13 Ca 0.39 2.34 -0.03 0.00 0.43 0.00 0.00 52.55 55.68 1xs8 s ASP 13 Cb 0.05 -2.58 -0.02 0.00 -0.30 0.00 0.00 42.92 40.07 1xs8 s ASP 13 CO 0.19 -0.74 0.28 0.00 -0.17 0.00 0.00 175.17 174.72 1xs8 s ALA 14 N 1.78 0.89 -0.18 3.66 0.00 -0.03 -4.90 121.76 122.97 1xs8 s ALA 14 Ca 0.67 -1.54 -0.09 0.00 0.00 0.00 0.00 51.96 51.00 1xs8 s ALA 14 Cb -0.37 1.30 -0.05 0.00 0.00 0.00 0.00 23.12 24.00 1xs8 s ALA 14 CO 0.30 -0.69 0.13 -2.00 0.00 0.00 0.00 175.76 173.50 1xs8 s GLU 15 N -3.88 4.02 0.53 0.00 2.12 -1.26 -1.20 118.70 119.02 1xs8 s GLU 15 Ca 0.34 -0.21 -0.22 0.00 0.36 0.00 0.00 54.97 55.24 1xs8 s GLU 15 Cb 0.04 -3.36 -0.06 0.00 0.26 0.00 0.00 34.13 31.01 1xs8 s GLU 15 CO 0.15 0.40 1.28 0.41 -0.54 0.00 0.00 175.26 176.96 1xs8 n GLY 16 N 3.20 0.56 0.00 -1.50 0.00 0.15 -3.99 105.19 103.61 1xs8 n GLY 16 Ca -0.17 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.80 0.00 -1.38 1.61 6.02 -1.25 -4.78 117.38 116.79 1xs8 n GLN 17 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 1xs8 n GLN 17 Cb 0.44 -0.44 0.00 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 -0.08 0.00 -4.92 1.08 8.00 -1.26 -4.96 116.55 114.41 1xs8 n ASP 18 Ca 0.00 -0.73 -0.24 0.00 0.71 0.00 0.00 54.79 54.52 1xs8 n ASP 18 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 -2.39 1.77 -0.95 1.24 0.08 -1.26 -4.91 117.98 111.56 1xs8 s PHE 19 Ca 0.00 -0.77 -0.24 0.00 0.12 0.00 0.00 56.93 56.04 1xs8 s PHE 19 Cb 0.00 -2.00 0.03 0.00 -0.57 0.00 0.00 43.02 40.48 1xs8 s PHE 19 CO 0.00 -0.52 1.52 -0.65 -0.10 0.00 0.00 175.22 175.47 1xs8 s GLN 20 N -4.31 3.34 0.00 0.44 -0.21 -1.26 -4.70 119.66 112.96 1xs8 s GLN 20 Ca 0.41 -0.82 0.22 0.00 0.02 0.00 0.00 55.36 55.18 1xs8 s GLN 20 Cb -0.03 -5.13 -0.09 0.00 1.00 0.00 0.00 33.01 28.76 1xs8 s GLN 20 CO 0.25 -2.40 0.99 1.47 -2.12 0.00 0.00 175.29 173.47 1xs8 n LEU 21 N 9.88 0.87 0.07 2.90 -0.00 -1.26 -4.88 117.00 124.58 1xs8 n LEU 21 Ca 0.30 -0.38 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 1xs8 n LEU 21 Cb 0.50 -0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.87 1xs8 n LEU 21 CO 0.66 0.21 0.00 0.00 -0.00 0.00 0.00 177.39 178.26 1xs8 n TYR 22 N -1.53 -2.90 -2.01 1.47 9.36 -1.26 -5.15 117.16 115.14 1xs8 n TYR 22 Ca 0.04 0.46 -0.37 0.00 3.32 0.00 0.00 57.90 61.36 1xs8 n TYR 22 Cb 0.34 1.46 0.03 0.00 -0.63 0.00 0.00 39.34 40.54 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 3.14 0.00 2.98 0.02 -1.26 -5.03 135.00 132.84 1xs8 s PRO 23 Ca 0.00 1.90 0.00 0.00 0.02 0.00 0.00 61.00 62.92 1xs8 s PRO 23 Cb 0.00 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.44 1xs8 s PRO 23 CO 0.00 -1.09 0.00 0.41 -0.33 0.00 0.00 177.00 175.99 1xs8 n GLY 24 N 0.55 0.26 0.18 0.52 0.00 -1.26 -4.53 105.19 100.90 1xs8 n GLY 24 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 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 0.57 -0.35 1.61 4.39 -2.00 -1.76 114.58 117.04 1xs8 h GLU 25 Ca 0.00 -0.43 -0.04 0.00 0.34 0.00 0.00 59.36 59.23 1xs8 h GLU 25 Cb 0.00 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1xs8 h GLU 25 CO 0.00 1.06 0.04 1.25 -1.16 0.00 0.00 179.01 180.20 1xs8 h LEU 26 N 0.20 0.49 0.74 1.33 5.85 -1.99 -2.43 115.31 119.49 1xs8 h LEU 26 Ca -0.02 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 1xs8 h LEU 26 Cb 1.12 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1xs8 h LEU 26 CO 0.10 0.53 -0.39 1.23 -0.34 0.00 0.00 178.44 179.57 1xs8 h GLY 27 N 0.79 -1.13 0.93 3.75 0.00 -1.72 -2.06 103.07 103.64 1xs8 h GLY 27 Ca 0.12 0.43 0.07 0.00 0.00 0.00 0.00 47.33 47.95 1xs8 h GLY 27 CO 0.00 -0.40 0.52 0.07 0.00 0.00 0.00 176.54 176.73 1xs8 h LYS 28 N -1.03 0.81 -0.51 4.80 2.10 -1.31 -0.30 116.57 121.13 1xs8 h LYS 28 Ca -0.10 -0.05 0.02 0.00 -2.00 0.00 0.00 60.65 58.52 1xs8 h LYS 28 Cb 0.80 -0.18 -0.03 0.00 -0.90 0.00 0.00 32.23 31.92 1xs8 h LYS 28 CO 0.14 0.53 0.32 -0.09 -2.00 0.00 0.00 179.45 178.36 1xs8 h ARG 29 N 0.83 0.62 -0.21 0.07 2.43 -1.32 -1.59 114.38 115.21 1xs8 h ARG 29 Ca 0.35 -0.04 -0.20 0.00 -0.81 0.00 0.00 59.98 59.28 1xs8 h ARG 29 Cb 0.29 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1xs8 h ARG 29 CO -0.13 0.41 -0.65 0.82 -1.51 0.00 0.00 179.97 178.92 1xs8 h ILE 30 N 0.64 1.29 0.00 1.20 2.04 -0.56 -2.93 117.51 119.19 1xs8 h ILE 30 Ca 0.20 -1.86 -0.01 0.00 1.00 0.00 0.00 64.86 64.20 1xs8 h ILE 30 Cb -0.02 1.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1xs8 h ILE 30 CO -0.07 0.59 -0.03 1.88 0.00 0.00 0.00 178.15 180.52 1xs8 h TYR 31 N 0.57 0.00 0.14 1.37 0.05 -0.75 0.21 116.97 118.56 1xs8 h TYR 31 Ca -0.01 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.50 1xs8 h TYR 31 Cb 1.25 0.00 0.01 0.00 1.01 0.00 0.00 36.73 39.00 1xs8 h TYR 31 CO 0.07 0.03 -1.30 -0.91 -1.05 0.00 0.00 178.16 175.00 1xs8 h ASN 32 N 0.00 0.45 -0.01 3.88 2.35 -1.15 -3.33 115.58 117.78 1xs8 h ASN 32 Ca -0.00 -0.89 0.00 0.00 -0.55 0.00 0.00 56.30 54.86 1xs8 h ASN 32 Cb 0.21 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1xs8 h ASN 32 CO 0.00 1.59 -0.13 -0.62 -1.65 0.00 0.00 177.43 176.62 1xs8 n GLU 33 N -3.93 1.68 -5.26 0.81 1.02 -1.09 -4.42 120.64 109.45 1xs8 n GLU 33 Ca -0.22 -0.68 -0.31 0.00 -0.02 0.00 0.00 57.16 55.93 1xs8 n GLU 33 Cb 0.91 -1.07 -0.16 0.00 -0.02 0.00 0.00 31.44 31.10 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 -1.10 2.03 0.40 -3.67 -1.09 0.73 -0.49 121.20 118.01 1xs8 s ILE 34 Ca 0.08 -1.07 0.07 0.00 -2.23 0.00 0.00 60.65 57.50 1xs8 s ILE 34 Cb 0.07 -1.71 0.00 0.00 -1.58 0.00 0.00 42.46 39.25 1xs8 s ILE 34 CO 0.19 0.57 0.55 -0.55 -1.23 0.00 0.00 174.94 174.46 1xs8 s SER 35 N -0.28 5.76 0.49 3.58 0.15 -1.26 -3.99 113.70 118.15 1xs8 s SER 35 Ca 0.00 -0.28 0.14 0.00 0.70 0.00 0.00 55.95 56.51 1xs8 s SER 35 Cb -0.13 -0.92 1.15 0.00 -1.71 0.00 0.00 66.02 64.41 1xs8 s SER 35 CO 0.02 -0.66 2.11 0.11 1.20 0.00 0.00 173.24 176.02 1xs8 h LYS 36 N 0.69 0.17 0.22 5.44 1.57 -1.87 -1.12 116.57 121.67 1xs8 h LYS 36 Ca -0.43 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.33 1xs8 h LYS 36 Cb 1.27 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1xs8 h LYS 36 CO 0.49 0.11 -0.11 0.22 -0.57 0.00 0.00 179.45 179.59 1xs8 h ASP 37 N 0.17 -0.25 -0.37 0.86 3.58 -1.94 0.12 116.42 118.58 1xs8 h ASP 37 Ca 0.07 -0.11 -0.10 0.00 0.42 0.00 0.00 57.03 57.31 1xs8 h ASP 37 Cb 0.06 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 1xs8 h ASP 37 CO -0.01 -0.04 -0.13 0.00 -2.88 0.00 0.00 179.24 176.17 1xs8 h ALA 38 N 0.29 0.93 0.21 -0.78 0.00 -1.87 0.55 119.26 118.59 1xs8 h ALA 38 Ca -0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1xs8 h ALA 38 Cb 0.34 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1xs8 h ALA 38 CO 0.05 0.62 -0.10 2.35 0.00 0.00 0.00 179.25 182.17 1xs8 h TRP 39 N 0.74 -0.27 -0.22 0.00 2.91 -1.06 0.12 115.95 118.18 1xs8 h TRP 39 Ca 0.12 -0.01 -0.13 0.00 1.13 0.00 0.00 58.89 60.00 1xs8 h TRP 39 Cb 0.64 0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 29.37 1xs8 h TRP 39 CO 0.03 -0.17 -0.43 0.00 -1.03 0.00 0.00 178.44 176.85 1xs8 h ALA 40 N 0.50 0.85 0.37 2.65 0.00 -0.70 -2.47 119.26 120.46 1xs8 h ALA 40 Ca -0.03 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1xs8 h ALA 40 Cb 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1xs8 h ALA 40 CO 0.05 0.65 -0.18 0.37 0.00 0.00 0.00 179.25 180.14 1xs8 h GLN 41 N 0.43 -0.48 -0.14 0.00 4.15 -0.70 -2.22 115.11 116.15 1xs8 h GLN 41 Ca 0.03 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 1xs8 h GLN 41 Cb 0.93 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.72 1xs8 h GLN 41 CO 0.08 -0.22 0.05 2.35 -1.93 0.00 0.00 178.83 179.16 1xs8 h TRP 42 N -0.67 0.21 -0.50 3.99 -0.00 -0.76 -0.66 115.95 117.56 1xs8 h TRP 42 Ca -0.05 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.89 58.80 1xs8 h TRP 42 Cb 0.48 -0.06 -0.02 0.00 -0.00 0.00 0.00 29.16 29.55 1xs8 h TRP 42 CO -0.01 0.30 0.22 1.96 -0.00 0.00 0.00 178.44 180.91 1xs8 h GLN 43 N 0.06 0.73 -0.56 2.65 4.20 -1.51 0.28 115.11 120.96 1xs8 h GLN 43 Ca 0.05 -0.12 -0.11 0.00 0.06 0.00 0.00 58.65 58.53 1xs8 h GLN 43 Cb 0.18 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1xs8 h GLN 43 CO -0.00 0.63 -0.07 1.25 -0.67 0.00 0.00 178.83 179.96 1xs8 h HIS 44 N 0.67 1.14 -0.16 2.96 2.76 -1.30 0.17 115.15 121.39 1xs8 h HIS 44 Ca 0.17 -0.23 -0.02 0.00 -2.20 0.00 0.00 60.37 58.10 1xs8 h HIS 44 Cb 0.15 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 28.82 1xs8 h HIS 44 CO -0.00 1.05 0.03 -0.22 -1.30 0.00 0.00 177.93 177.48 1xs8 h LYS 45 N 0.91 0.26 -0.62 5.26 3.11 -0.86 -2.67 116.57 121.96 1xs8 h LYS 45 Ca 0.15 -0.07 -0.02 0.00 -2.81 0.00 0.00 60.65 57.90 1xs8 h LYS 45 Cb 0.64 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.81 1xs8 h LYS 45 CO 0.04 0.43 0.30 0.37 -2.81 0.00 0.00 179.45 177.78 1xs8 h GLN 46 N 0.05 0.88 -0.73 1.90 5.75 -0.26 -1.22 115.11 121.49 1xs8 h GLN 46 Ca 0.05 -0.11 0.05 0.00 -0.15 0.00 0.00 58.65 58.49 1xs8 h GLN 46 Cb 0.29 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 28.62 1xs8 h GLN 46 CO 0.00 0.68 0.44 1.15 -2.65 0.00 0.00 178.83 178.45 1xs8 h THR 47 N 0.88 1.03 -0.26 2.39 2.02 -0.50 0.22 112.91 118.69 1xs8 h THR 47 Ca 0.22 -0.28 -0.10 0.00 0.77 0.00 0.00 66.41 67.02 1xs8 h THR 47 Cb 0.09 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 1xs8 h THR 47 CO -0.03 0.15 -0.26 -0.03 0.37 0.00 0.00 175.52 175.72 1xs8 h MET 48 N 0.82 0.51 -0.09 6.66 1.85 -1.00 0.13 114.93 123.80 1xs8 h MET 48 Ca 0.31 -0.20 -0.01 0.00 -0.61 0.00 0.00 59.70 59.20 1xs8 h MET 48 Cb 0.12 -0.03 -0.00 0.00 0.43 0.00 0.00 31.60 32.12 1xs8 h MET 48 CO -0.15 0.72 0.03 -0.07 -0.40 0.00 0.00 176.91 177.04 1xs8 h LEU 49 N 0.45 0.13 -1.18 3.39 3.38 -0.17 -1.72 115.31 119.58 1xs8 h LEU 49 Ca 0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1xs8 h LEU 49 Cb 0.69 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1xs8 h LEU 49 CO 0.05 0.31 0.30 0.40 0.09 0.00 0.00 178.44 179.59 1xs8 h ILE 50 N -0.05 1.20 -0.49 1.22 2.04 -0.42 -0.05 117.51 120.95 1xs8 h ILE 50 Ca 0.03 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 1xs8 h ILE 50 Cb 0.23 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1xs8 h ILE 50 CO -0.00 0.23 0.21 -1.13 0.00 0.00 0.00 178.15 177.46 1xs8 h ASN 51 N 0.87 0.67 0.02 1.72 -0.00 -0.49 0.43 115.58 118.81 1xs8 h ASN 51 Ca 0.22 -0.16 -0.26 0.00 -0.00 0.00 0.00 56.30 56.10 1xs8 h ASN 51 Cb 0.08 -0.17 0.02 0.00 -0.00 0.00 0.00 38.32 38.25 1xs8 h ASN 51 CO -0.03 0.64 -1.02 -0.33 -0.00 0.00 0.00 177.43 176.69 1xs8 h GLU 52 N 0.65 0.65 0.00 6.67 4.39 -1.06 -3.24 114.58 122.64 1xs8 h GLU 52 Ca 0.16 -0.73 -0.11 0.00 0.34 0.00 0.00 59.36 59.03 1xs8 h GLU 52 Cb 0.17 0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1xs8 h GLU 52 CO -0.02 1.31 -0.51 0.87 -1.16 0.00 0.00 179.01 179.51 1xs8 h LYS 53 N 0.30 0.00 -6.04 2.33 1.57 -0.92 -3.47 116.57 110.33 1xs8 h LYS 53 Ca -0.13 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.22 1xs8 h LYS 53 Cb 1.68 0.00 0.06 0.00 0.08 0.00 0.00 32.23 34.06 1xs8 h LYS 53 CO 0.20 0.51 -0.75 1.63 -0.57 0.00 0.00 179.45 180.46 1xs8 n LYS 54 N -3.71 -6.26 -2.81 3.15 5.02 0.15 -4.98 118.16 108.72 1xs8 n LYS 54 Ca -0.01 0.70 -0.25 0.00 -2.02 0.00 0.00 58.31 56.73 1xs8 n LYS 54 Cb 0.56 -5.59 0.01 0.00 -0.02 0.00 0.00 35.03 29.99 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 -7.04 3.61 0.00 -0.35 0.05 -1.23 -5.08 118.68 108.64 1xs8 s LEU 55 Ca 0.41 0.61 0.08 0.00 0.05 0.00 0.00 54.13 55.28 1xs8 s LEU 55 Cb -0.20 -3.49 -0.02 0.00 -2.05 0.00 0.00 46.19 40.43 1xs8 s LEU 55 CO 0.78 -0.67 -0.25 0.21 -0.55 0.00 0.00 176.35 175.87 1xs8 s ASN 56 N -4.17 2.91 0.00 1.48 3.84 -1.26 -5.00 114.94 112.74 1xs8 s ASN 56 Ca 0.48 -0.48 0.06 0.00 0.21 0.00 0.00 52.86 53.12 1xs8 s ASN 56 Cb -0.10 -0.30 0.32 0.00 -0.55 0.00 0.00 41.25 40.62 1xs8 s ASN 56 CO 0.41 0.28 1.21 0.23 -2.79 0.00 0.00 177.10 176.45 1xs8 n MET 57 N 2.26 1.08 -0.28 0.43 2.81 -1.26 -3.86 117.12 118.30 1xs8 n MET 57 Ca -0.16 -0.13 0.02 0.00 -1.81 0.00 0.00 57.70 55.62 1xs8 n MET 57 Cb 0.52 -1.10 0.22 0.00 -0.71 0.00 0.00 33.22 32.14 1xs8 n MET 57 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 1xs8 h MET 58 N 0.22 1.05 -6.19 0.03 -1.53 -2.00 -3.42 114.93 103.09 1xs8 h MET 58 Ca 0.00 -0.06 -0.58 0.00 -3.44 0.00 0.00 59.70 55.62 1xs8 h MET 58 Cb 0.05 -0.24 -0.04 0.00 -0.55 0.00 0.00 31.60 30.82 1xs8 h MET 58 CO 0.00 0.70 -0.13 -0.80 0.14 0.00 0.00 176.91 176.82 1xs8 s ASN 59 N -6.17 6.85 0.47 1.39 -0.87 -1.25 -4.97 114.94 110.39 1xs8 s ASN 59 Ca -0.12 1.05 0.24 0.00 -1.57 0.00 0.00 52.86 52.47 1xs8 s ASN 59 Cb 0.19 -2.28 1.14 0.00 -0.02 0.00 0.00 41.25 40.28 1xs8 s ASN 59 CO 0.80 0.21 1.94 0.00 -2.57 0.00 0.00 177.10 177.47 1xs8 h ALA 60 N 4.09 1.18 -0.26 0.60 0.00 -1.94 -2.89 119.26 120.05 1xs8 h ALA 60 Ca -0.50 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.29 1xs8 h ALA 60 Cb 1.20 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 1xs8 h ALA 60 CO 0.64 0.25 -0.15 0.93 0.00 0.00 0.00 179.25 180.93 1xs8 h GLU 61 N 0.00 -0.12 0.00 0.00 5.08 -1.93 -0.96 114.58 116.65 1xs8 h GLU 61 Ca -0.00 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1xs8 h GLU 61 Cb 0.55 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1xs8 h GLU 61 CO 0.03 -0.08 -0.26 0.45 -1.00 0.00 0.00 179.01 178.15 1xs8 h HIS 62 N -0.13 0.00 0.11 4.33 3.86 -1.82 -2.66 115.15 118.84 1xs8 h HIS 62 Ca 0.14 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 1xs8 h HIS 62 Cb 0.34 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.81 1xs8 h HIS 62 CO -0.33 0.26 -0.05 0.00 0.86 0.00 0.00 177.93 178.67 1xs8 h ARG 63 N 0.00 -0.14 -0.08 2.45 3.08 -1.20 -1.95 114.38 116.54 1xs8 h ARG 63 Ca -0.00 0.01 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 1xs8 h ARG 63 Cb 1.04 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 1xs8 h ARG 63 CO 0.03 0.18 -0.41 1.57 -1.07 0.00 0.00 179.97 180.27 1xs8 h LYS 64 N -0.47 0.17 -0.38 0.04 2.10 -1.22 -2.32 116.57 114.49 1xs8 h LYS 64 Ca -0.01 -0.08 -0.01 0.00 -2.00 0.00 0.00 60.65 58.54 1xs8 h LYS 64 Cb 0.39 -0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.70 1xs8 h LYS 64 CO 0.02 0.56 0.18 1.25 -2.00 0.00 0.00 179.45 179.47 1xs8 h LEU 65 N 0.15 0.50 -0.42 7.07 5.85 -1.43 0.20 115.31 127.23 1xs8 h LEU 65 Ca 0.01 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1xs8 h LEU 65 Cb 0.79 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 1xs8 h LEU 65 CO 0.06 0.49 0.25 0.25 -0.34 0.00 0.00 178.44 179.16 1xs8 h LEU 66 N 0.48 0.42 0.01 2.25 5.85 -1.08 0.63 115.31 123.87 1xs8 h LEU 66 Ca 0.13 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1xs8 h LEU 66 Cb 0.12 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1xs8 h LEU 66 CO -0.02 0.30 -0.00 -0.08 -0.34 0.00 0.00 178.44 178.30 1xs8 h GLU 67 N 0.52 -0.01 0.24 1.25 4.81 -1.13 0.28 114.58 120.54 1xs8 h GLU 67 Ca 0.16 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1xs8 h GLU 67 Cb -0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1xs8 h GLU 67 CO -0.06 0.06 -0.12 1.96 -0.73 0.00 0.00 179.01 180.11 1xs8 h GLN 68 N -0.08 -0.32 0.00 1.92 4.20 -0.38 -1.92 115.11 118.53 1xs8 h GLN 68 Ca -0.00 0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 1xs8 h GLN 68 Cb 0.07 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1xs8 h GLN 68 CO 0.00 -0.21 -0.29 0.93 -0.67 0.00 0.00 178.83 178.58 1xs8 h GLU 69 N -0.33 0.00 0.14 1.46 5.08 -0.86 -0.63 114.58 119.44 1xs8 h GLU 69 Ca -0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1xs8 h GLU 69 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1xs8 h GLU 69 CO 0.05 0.29 -0.07 1.98 -1.00 0.00 0.00 179.01 180.26 1xs8 h MET 70 N 0.00 -0.18 -0.35 2.33 4.05 -0.57 -0.45 114.93 119.75 1xs8 h MET 70 Ca -0.00 0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.35 1xs8 h MET 70 Cb 0.54 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.36 1xs8 h MET 70 CO 0.04 -0.07 -0.11 0.28 0.23 0.00 0.00 176.91 177.28 1xs8 h VAL 71 N -0.25 1.24 0.00 -5.77 2.07 -1.08 -0.25 116.25 112.21 1xs8 h VAL 71 Ca -0.02 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.43 1xs8 h VAL 71 Cb 0.20 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1xs8 h VAL 71 CO 0.03 0.36 0.00 -1.28 0.02 0.00 0.00 177.57 176.70 1xs8 h SER 72 N 0.56 0.00 0.00 0.57 0.87 -0.83 0.04 113.55 114.76 1xs8 h SER 72 Ca 0.10 0.00 -0.44 0.00 -1.23 0.00 0.00 61.79 60.22 1xs8 h SER 72 Cb 0.52 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.42 1xs8 h SER 72 CO 0.03 0.00 -2.50 0.33 -0.53 0.00 0.00 176.83 174.16 1xs8 n PHE 73 N -2.76 0.03 -0.03 2.24 7.35 -0.20 -3.27 117.46 120.82 1xs8 n PHE 73 Ca 0.02 0.01 -0.14 0.00 -0.76 0.00 0.00 57.45 56.58 1xs8 n PHE 73 Cb 0.31 -1.00 -0.10 0.00 0.35 0.00 0.00 39.48 39.03 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 -0.70 0.14 0.06 -2.13 3.38 -1.10 -3.37 115.31 111.59 1xs8 h LEU 74 Ca -0.66 -0.64 -0.36 0.00 0.09 0.00 0.00 57.88 56.30 1xs8 h LEU 74 Cb 1.70 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.37 1xs8 h LEU 74 CO -0.32 0.76 -2.13 0.49 0.09 0.00 0.00 178.44 177.32 1xs8 n PHE 75 N -4.66 0.74 0.00 1.13 3.01 -0.48 -3.19 117.46 114.00 1xs8 n PHE 75 Ca -0.09 0.18 0.00 0.00 1.01 0.00 0.00 57.45 58.55 1xs8 n PHE 75 Cb 0.38 -1.10 0.00 0.00 -0.01 0.00 0.00 39.48 38.74 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 -3.28 0.00 -1.29 -1.08 1.02 -0.12 -4.73 120.64 111.17 1xs8 n GLU 76 Ca -0.34 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.44 1xs8 n GLU 76 Cb 1.04 -0.04 -0.02 0.00 -0.02 0.00 0.00 31.44 32.40 1xs8 n GLU 76 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xs8 n GLY 77 N 0.00 3.94 3.88 0.62 0.00 -1.26 -4.80 105.19 107.57 1xs8 n GLY 77 Ca 0.00 -1.38 -0.23 0.00 0.00 0.00 0.00 46.02 44.42 1xs8 n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xs8 s LYS 78 N 2.88 3.15 0.00 1.61 0.00 -1.26 -5.00 119.74 121.11 1xs8 s LYS 78 Ca 0.58 -0.88 0.10 0.00 0.00 0.00 0.00 55.97 55.77 1xs8 s LYS 78 Cb 0.15 -2.73 0.17 0.00 0.00 0.00 0.00 37.83 35.43 1xs8 s LYS 78 CO -0.05 0.44 1.01 -0.40 0.00 0.00 0.00 175.35 176.35 1xs8 n ASP 79 N -1.07 2.31 -4.67 0.03 5.75 -1.26 -4.97 116.55 112.67 1xs8 n ASP 79 Ca -0.08 -1.69 -0.43 0.00 -0.01 0.00 0.00 54.79 52.58 1xs8 n ASP 79 Cb 0.57 -0.10 -0.02 0.00 -1.03 0.00 0.00 41.12 40.54 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 -0.92 4.25 -0.44 2.12 1.01 -1.26 -4.98 120.40 120.18 1xs8 s VAL 80 Ca 0.16 1.53 -0.29 0.00 0.00 0.00 0.00 61.98 63.39 1xs8 s VAL 80 Cb 0.10 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.52 1xs8 s VAL 80 CO 0.14 -0.09 1.12 -1.00 0.00 0.00 0.00 175.10 175.26 1xs8 s HIS 81 N 3.11 2.89 -1.05 5.22 3.76 -1.26 -4.96 115.29 123.00 1xs8 s HIS 81 Ca 0.56 0.80 -0.14 0.00 -0.15 0.00 0.00 55.06 56.12 1xs8 s HIS 81 Cb -0.23 -4.27 0.19 0.00 1.11 0.00 0.00 32.58 29.38 1xs8 s HIS 81 CO 0.17 -1.16 1.19 0.42 -0.85 0.00 0.00 174.74 174.51 1xs8 s ILE 82 N 4.26 5.21 0.07 0.60 1.01 -1.26 -4.48 121.20 126.62 1xs8 s ILE 82 Ca 0.47 -2.44 0.00 0.00 0.00 0.00 0.00 60.65 58.68 1xs8 s ILE 82 Cb -0.08 -4.75 0.00 0.00 0.01 0.00 0.00 42.46 37.64 1xs8 s ILE 82 CO 0.28 -1.42 0.00 -0.62 0.00 0.00 0.00 174.94 173.18 1xs8 n GLU 83 N 5.13 0.00 -3.71 2.79 1.02 -1.26 -5.09 120.64 119.53 1xs8 n GLU 83 Ca 0.27 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 57.04 1xs8 n GLU 83 Cb 0.45 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.80 1xs8 n GLU 83 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1xs8 s GLY 84 N -4.89 2.24 0.00 0.62 0.00 -1.26 -4.95 107.32 99.08 1xs8 s GLY 84 Ca 0.00 -0.50 0.24 0.00 0.00 0.00 0.00 44.72 44.46 1xs8 s GLY 84 CO 0.00 -0.05 1.25 1.58 0.00 0.00 0.00 173.10 175.88 1xs8 n TYR 85 N 2.38 0.00 -2.64 1.90 0.18 -1.26 -4.88 117.16 112.84 1xs8 n TYR 85 Ca -0.17 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.18 1xs8 n TYR 85 Cb 0.53 -0.04 -0.02 0.00 -0.38 0.00 0.00 39.34 39.44 1xs8 n TYR 85 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 1xs8 s THR 86 N -2.47 4.64 -0.63 -3.48 2.01 -1.26 -4.93 115.64 109.52 1xs8 s THR 86 Ca 0.21 1.98 -0.26 0.00 0.31 0.00 0.00 61.69 63.93 1xs8 s THR 86 Cb 0.19 -4.29 -0.03 0.00 0.01 0.00 0.00 72.50 68.38 1xs8 s THR 86 CO 0.55 -0.19 1.90 -2.84 -0.69 0.00 0.00 174.62 173.35 1xs8 s PRO 87 N 3.24 2.59 -1.15 4.92 0.02 -1.26 -4.91 135.00 138.45 1xs8 s PRO 87 Ca 0.45 0.58 -0.14 0.00 0.02 0.00 0.00 61.00 61.91 1xs8 s PRO 87 Cb -0.15 -4.45 0.17 0.00 0.02 0.00 0.00 34.50 30.09 1xs8 s PRO 87 CO 0.07 -2.81 1.36 -2.00 -0.33 0.00 0.00 177.00 173.29 1xs8 s GLU 88 N 7.11 4.01 0.07 5.54 2.56 -1.26 -5.00 118.70 131.73 1xs8 s GLU 88 Ca 0.69 -2.48 0.02 0.00 0.00 0.00 0.00 54.97 53.20 1xs8 s GLU 88 Cb -0.12 -5.01 -0.04 0.00 2.00 0.00 0.00 34.13 30.96 1xs8 s GLU 88 CO 0.19 -1.74 0.12 0.34 -0.56 0.00 0.00 175.26 173.62 1xs8 s ASP 89 N 2.88 5.82 -0.02 -1.70 2.15 -1.26 -5.05 116.67 119.49 1xs8 s ASP 89 Ca 0.40 0.09 -0.06 0.00 0.43 0.00 0.00 52.55 53.41 1xs8 s ASP 89 Cb -0.04 -1.65 -0.02 0.00 -0.30 0.00 0.00 42.92 40.91 1xs8 s ASP 89 CO -0.02 0.17 -0.11 0.29 -0.17 0.00 0.00 175.17 175.33 1xs8 n LYS 90 N 0.41 0.17 0.00 4.34 4.01 -1.26 -5.33 118.16 120.50 1xs8 n LYS 90 Ca -0.07 0.07 0.08 0.00 -0.51 0.00 0.00 58.31 57.87 1xs8 n LYS 90 Cb 0.51 -0.71 0.06 0.00 -0.51 0.00 0.00 35.03 34.39 1xs8 n LYS 90 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92