#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 4.16 -0.82 7.83 0.01 -1.26 -5.04 113.70 118.58 1xs8 s SER 2 Ca 0.00 -0.42 -0.16 0.00 1.31 0.00 0.00 55.95 56.68 1xs8 s SER 2 Cb 0.00 -1.71 0.18 0.00 0.21 0.00 0.00 66.02 64.70 1xs8 s SER 2 CO 0.00 -0.01 0.85 -0.60 0.41 0.00 0.00 173.24 173.89 1xs8 s ARG 3 N 1.42 3.52 -0.19 12.44 3.52 -1.26 -5.03 118.95 133.37 1xs8 s ARG 3 Ca 0.05 -2.13 -0.17 0.00 -0.13 0.00 0.00 55.73 53.36 1xs8 s ARG 3 Cb -0.14 -4.54 -0.04 0.00 -1.56 0.00 0.00 34.95 28.67 1xs8 s ARG 3 CO -0.04 -1.45 0.43 0.99 -0.81 0.00 0.00 175.30 174.42 1xs8 s THR 4 N 1.15 5.18 0.36 4.11 2.01 -1.26 -1.60 115.64 125.59 1xs8 s THR 4 Ca 0.21 0.77 0.03 0.00 0.31 0.00 0.00 61.69 63.01 1xs8 s THR 4 Cb -0.11 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 1xs8 s THR 4 CO -0.07 0.24 0.10 0.27 -0.69 0.00 0.00 174.62 174.47 1xs8 s ILE 5 N 1.32 0.82 -0.51 1.82 -5.25 0.53 -4.88 121.20 115.05 1xs8 s ILE 5 Ca 0.20 -2.00 -0.20 0.00 -0.99 0.00 0.00 60.65 57.66 1xs8 s ILE 5 Cb -0.15 -2.55 0.05 0.00 2.95 0.00 0.00 42.46 42.76 1xs8 s ILE 5 CO 0.08 0.00 0.68 -0.36 -1.79 0.00 0.00 174.94 173.55 1xs8 s PHE 6 N -3.31 3.01 0.20 1.37 0.08 -1.26 -0.22 117.98 117.85 1xs8 s PHE 6 Ca 0.30 -0.39 -0.27 0.00 0.12 0.00 0.00 56.93 56.69 1xs8 s PHE 6 Cb 0.05 -3.60 -0.08 0.00 -0.57 0.00 0.00 43.02 38.82 1xs8 s PHE 6 CO 0.15 -1.07 0.84 0.00 -0.10 0.00 0.00 175.22 175.04 1xs8 h THR 8 N 3.23 0.04 0.00 0.00 1.35 -1.05 0.40 112.91 116.89 1xs8 h THR 8 Ca -0.46 -0.82 -0.00 0.00 -0.55 0.00 0.00 66.41 64.58 1xs8 h THR 8 Cb 1.20 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 1xs8 h THR 8 CO 0.67 0.02 -0.00 0.22 -0.25 0.00 0.00 175.52 176.18 1xs8 h TYR 9 N 0.00 -0.00 0.00 4.73 3.20 -1.79 -3.32 116.97 119.79 1xs8 h TYR 9 Ca -0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1xs8 h TYR 9 Cb 0.78 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.05 1xs8 h TYR 9 CO 0.00 0.73 -0.63 -0.07 -1.64 0.00 0.00 178.16 176.55 1xs8 h LEU 10 N -0.74 0.00 2.21 2.82 3.38 -1.94 -3.48 115.31 117.57 1xs8 h LEU 10 Ca -0.00 -0.03 -0.36 0.00 0.09 0.00 0.00 57.88 57.59 1xs8 h LEU 10 Cb 0.73 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 1xs8 h LEU 10 CO 0.00 0.01 -0.43 0.00 0.09 0.00 0.00 178.44 178.11 1xs8 n GLN 11 N -2.71 -1.38 -3.92 1.13 1.13 0.14 -4.95 117.38 106.81 1xs8 n GLN 11 Ca 0.02 0.91 -0.10 0.00 -1.94 0.00 0.00 57.00 55.88 1xs8 n GLN 11 Cb 0.53 -5.35 -0.01 0.00 0.11 0.00 0.00 30.24 25.51 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 -4.62 2.01 0.03 -1.09 1.70 -1.18 -4.92 118.95 110.87 1xs8 s ARG 12 Ca 0.00 -1.47 -0.30 0.00 -0.47 0.00 0.00 55.73 53.49 1xs8 s ARG 12 Cb 0.00 0.55 -0.07 0.00 -0.57 0.00 0.00 34.95 34.86 1xs8 s ARG 12 CO 0.00 -0.90 1.60 0.34 -1.08 0.00 0.00 175.30 175.26 1xs8 s ASP 13 N -3.10 6.67 0.24 -2.89 2.15 -1.26 -2.17 116.67 116.32 1xs8 s ASP 13 Ca 0.21 2.35 -0.18 0.00 0.43 0.00 0.00 52.55 55.36 1xs8 s ASP 13 Cb -0.03 -2.56 0.02 0.00 -0.30 0.00 0.00 42.92 40.05 1xs8 s ASP 13 CO 0.13 -0.86 0.59 0.00 -0.17 0.00 0.00 175.17 174.87 1xs8 s ALA 14 N 2.90 -0.89 0.01 3.66 0.00 0.69 -4.96 121.76 123.18 1xs8 s ALA 14 Ca 0.72 -0.41 -0.30 0.00 0.00 0.00 0.00 51.96 51.97 1xs8 s ALA 14 Cb -0.37 0.91 -0.06 0.00 0.00 0.00 0.00 23.12 23.61 1xs8 s ALA 14 CO 0.30 -0.91 1.43 -1.21 0.00 0.00 0.00 175.76 175.37 1xs8 s GLU 15 N -3.93 4.27 0.75 0.00 8.01 -1.26 -0.35 118.70 126.20 1xs8 s GLU 15 Ca 0.13 2.01 -0.11 0.00 0.01 0.00 0.00 54.97 57.01 1xs8 s GLU 15 Cb -0.03 -3.57 0.04 0.00 -4.31 0.00 0.00 34.13 26.27 1xs8 s GLU 15 CO 0.04 -0.59 1.08 0.20 0.01 0.00 0.00 175.26 176.00 1xs8 s GLY 16 N 1.92 1.67 0.91 -1.39 0.00 -0.63 -0.18 107.32 109.62 1xs8 s GLY 16 Ca 0.65 0.17 -0.11 0.00 0.00 0.00 0.00 44.72 45.43 1xs8 s GLY 16 CO 0.27 0.52 1.09 1.62 0.00 0.00 0.00 173.10 176.61 1xs8 s GLN 17 N -4.96 1.08 0.00 2.90 2.00 -0.81 -4.27 119.66 115.60 1xs8 s GLN 17 Ca 0.60 1.05 0.00 0.00 -2.00 0.00 0.00 55.36 55.01 1xs8 s GLN 17 Cb -0.16 -1.77 0.00 0.00 0.80 0.00 0.00 33.01 31.88 1xs8 s GLN 17 CO 0.56 -2.43 0.00 -3.47 -0.50 0.00 0.00 175.29 169.45 1xs8 n ASP 18 N -4.04 0.00 -1.33 6.67 -0.08 -1.26 -4.82 116.55 111.69 1xs8 n ASP 18 Ca 0.08 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.33 1xs8 n ASP 18 Cb 0.54 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.99 1xs8 n ASP 18 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1xs8 n PHE 19 N 0.00 -0.55 -2.10 -0.67 3.72 -1.26 -5.04 117.46 111.57 1xs8 n PHE 19 Ca 0.00 -0.39 -0.32 0.00 -0.05 0.00 0.00 57.45 56.69 1xs8 n PHE 19 Cb 0.00 0.08 -0.04 0.00 -0.94 0.00 0.00 39.48 38.58 1xs8 n PHE 19 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1xs8 s GLN 20 N -2.14 2.67 0.00 -1.08 -1.52 -1.26 -4.71 119.66 111.63 1xs8 s GLN 20 Ca 0.05 -0.03 0.14 0.00 -1.95 0.00 0.00 55.36 53.57 1xs8 s GLN 20 Cb -0.00 -4.81 0.05 0.00 -0.22 0.00 0.00 33.01 28.03 1xs8 s GLN 20 CO 0.03 -3.03 0.87 1.47 -0.25 0.00 0.00 175.29 174.39 1xs8 n LEU 21 N 13.03 1.84 0.07 2.90 -0.00 -1.26 -4.92 117.00 128.66 1xs8 n LEU 21 Ca 0.31 -0.88 0.00 0.00 -0.00 0.00 0.00 56.01 55.45 1xs8 n LEU 21 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.91 1xs8 n LEU 21 CO 0.65 0.34 0.00 0.00 -0.00 0.00 0.00 177.39 178.38 1xs8 n TYR 22 N 0.30 -2.57 -2.08 1.47 9.36 -1.26 -5.17 117.16 117.21 1xs8 n TYR 22 Ca 0.07 0.46 -0.24 0.00 3.32 0.00 0.00 57.90 61.51 1xs8 n TYR 22 Cb 0.33 1.38 0.15 0.00 -0.63 0.00 0.00 39.34 40.58 1xs8 n TYR 22 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1xs8 n PRO 23 N -2.75 -0.74 0.00 2.98 -0.05 -1.26 -5.11 135.00 128.06 1xs8 n PRO 23 Ca 0.00 -2.03 0.00 0.00 -0.05 0.00 0.00 63.50 61.42 1xs8 n PRO 23 Cb 0.00 -0.98 0.00 0.00 -0.05 0.00 0.00 33.50 32.47 1xs8 n PRO 23 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1xs8 n GLY 24 N -2.34 1.33 0.16 0.55 0.00 -1.26 -4.81 105.19 98.82 1xs8 n GLY 24 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 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 0.40 -0.33 1.61 3.07 -1.99 -1.39 114.58 115.94 1xs8 h GLU 25 Ca 0.00 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.78 1xs8 h GLU 25 Cb 0.00 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.80 1xs8 h GLU 25 CO 0.00 0.26 -0.04 -0.07 -1.40 0.00 0.00 179.01 177.77 1xs8 h LEU 26 N 0.41 0.50 0.60 1.33 3.38 -1.99 -1.15 115.31 118.39 1xs8 h LEU 26 Ca 0.14 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1xs8 h LEU 26 Cb 0.02 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.64 1xs8 h LEU 26 CO -0.08 0.59 -0.29 1.23 0.09 0.00 0.00 178.44 179.99 1xs8 h GLY 27 N 0.86 -0.84 1.47 0.83 0.00 -1.61 -0.95 103.07 102.84 1xs8 h GLY 27 Ca 0.10 0.31 -0.06 0.00 0.00 0.00 0.00 47.33 47.69 1xs8 h GLY 27 CO 0.02 -0.30 0.02 0.07 0.00 0.00 0.00 176.54 176.34 1xs8 h LYS 28 N -0.80 0.66 0.36 4.80 2.10 -1.17 0.40 116.57 122.91 1xs8 h LYS 28 Ca -0.08 -0.15 -0.01 0.00 -2.00 0.00 0.00 60.65 58.41 1xs8 h LYS 28 Cb 0.62 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 31.84 1xs8 h LYS 28 CO 0.13 0.66 -0.26 -0.09 -2.00 0.00 0.00 179.45 177.89 1xs8 h ARG 29 N 0.63 -0.59 -0.65 0.07 2.43 -1.06 -2.09 114.38 113.11 1xs8 h ARG 29 Ca 0.13 0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1xs8 h ARG 29 Cb 0.36 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 1xs8 h ARG 29 CO 0.01 -0.40 0.27 0.82 -1.51 0.00 0.00 179.97 179.17 1xs8 h ILE 30 N -0.61 1.22 0.00 1.20 2.04 -0.83 -2.11 117.51 118.42 1xs8 h ILE 30 Ca -0.03 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 1xs8 h ILE 30 Cb 0.53 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1xs8 h ILE 30 CO 0.00 0.28 -0.05 1.88 0.00 0.00 0.00 178.15 180.26 1xs8 h TYR 31 N 0.93 0.00 -0.01 1.37 0.05 -0.60 0.29 116.97 119.00 1xs8 h TYR 31 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.00 1xs8 h TYR 31 Cb 0.16 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.90 1xs8 h TYR 31 CO 0.01 0.05 -0.22 0.09 -1.05 0.00 0.00 178.16 177.05 1xs8 n ASN 32 N -3.97 0.72 -0.13 3.88 3.02 -0.80 -1.92 115.26 116.07 1xs8 n ASN 32 Ca -0.03 -0.65 0.01 0.00 -0.03 0.00 0.00 54.58 53.89 1xs8 n ASN 32 Cb 0.14 0.04 0.02 0.00 -0.61 0.00 0.00 39.78 39.38 1xs8 n ASN 32 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1xs8 n GLU 33 N -0.89 0.88 -4.16 3.52 0.28 -0.28 -4.71 120.64 115.29 1xs8 n GLU 33 Ca 0.12 -1.16 -0.18 0.00 -0.16 0.00 0.00 57.16 55.78 1xs8 n GLU 33 Cb 0.32 -0.76 -0.16 0.00 1.43 0.00 0.00 31.44 32.27 1xs8 n GLU 33 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1xs8 s ILE 34 N -0.66 0.47 0.67 3.84 -1.09 0.87 -0.50 121.20 124.80 1xs8 s ILE 34 Ca 0.05 -0.15 -0.12 0.00 -2.23 0.00 0.00 60.65 58.19 1xs8 s ILE 34 Cb 0.04 -0.47 -0.00 0.00 -1.58 0.00 0.00 42.46 40.45 1xs8 s ILE 34 CO 0.00 0.18 1.06 -0.55 -1.23 0.00 0.00 174.94 174.41 1xs8 s SER 35 N 0.52 5.44 0.27 3.58 0.15 -1.26 -2.06 113.70 120.35 1xs8 s SER 35 Ca -0.06 1.70 0.01 0.00 0.70 0.00 0.00 55.95 58.30 1xs8 s SER 35 Cb -0.10 -2.51 0.60 0.00 -1.71 0.00 0.00 66.02 62.30 1xs8 s SER 35 CO -0.00 -1.40 1.74 0.11 1.20 0.00 0.00 173.24 174.89 1xs8 h LYS 36 N -0.36 0.54 0.53 5.44 1.79 -0.75 0.09 116.57 123.85 1xs8 h LYS 36 Ca -0.45 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 57.96 1xs8 h LYS 36 Cb 1.22 -0.12 0.01 0.00 -1.58 0.00 0.00 32.23 31.75 1xs8 h LYS 36 CO 0.56 0.36 -0.25 -0.44 -1.08 0.00 0.00 179.45 178.60 1xs8 h ASP 37 N 0.56 -0.60 -0.59 0.86 5.19 -1.92 -2.49 116.42 117.43 1xs8 h ASP 37 Ca 0.50 -0.06 0.05 0.00 -0.62 0.00 0.00 57.03 56.91 1xs8 h ASP 37 Cb 0.79 0.16 -0.05 0.00 0.18 0.00 0.00 39.33 40.41 1xs8 h ASP 37 CO -0.41 -0.27 0.31 0.00 -3.12 0.00 0.00 179.24 175.74 1xs8 h ALA 38 N -0.63 0.77 -0.49 3.45 0.00 -1.83 0.23 119.26 120.76 1xs8 h ALA 38 Ca -0.07 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1xs8 h ALA 38 Cb 0.62 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1xs8 h ALA 38 CO 0.12 -0.03 0.15 2.35 0.00 0.00 0.00 179.25 181.84 1xs8 h TRP 39 N 0.59 0.79 -0.50 0.00 2.91 -1.05 -1.93 115.95 116.74 1xs8 h TRP 39 Ca 0.26 -0.08 -0.12 0.00 1.13 0.00 0.00 58.89 60.09 1xs8 h TRP 39 Cb 0.17 -0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 28.58 1xs8 h TRP 39 CO -0.09 0.69 -0.14 0.00 -1.03 0.00 0.00 178.44 177.87 1xs8 h ALA 40 N 1.01 0.69 -0.51 2.65 0.00 -0.91 -2.55 119.26 119.65 1xs8 h ALA 40 Ca 0.16 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1xs8 h ALA 40 Cb 0.28 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1xs8 h ALA 40 CO -0.00 0.63 0.27 1.96 0.00 0.00 0.00 179.25 182.10 1xs8 h GLN 41 N 0.84 0.52 -0.04 0.00 4.20 -0.38 0.13 115.11 120.37 1xs8 h GLN 41 Ca 0.12 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 1xs8 h GLN 41 Cb 0.71 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.37 1xs8 h GLN 41 CO 0.05 0.34 0.02 2.35 -0.67 0.00 0.00 178.83 180.93 1xs8 h TRP 42 N 0.53 0.06 -0.73 2.96 -0.00 -1.23 0.12 115.95 117.66 1xs8 h TRP 42 Ca 0.22 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.11 1xs8 h TRP 42 Cb 0.10 -0.02 -0.04 0.00 -0.00 0.00 0.00 29.16 29.20 1xs8 h TRP 42 CO -0.09 0.17 0.46 1.96 -0.00 0.00 0.00 178.44 180.95 1xs8 h GLN 43 N -0.06 0.98 -0.25 2.65 4.20 -1.21 0.18 115.11 121.59 1xs8 h GLN 43 Ca 0.01 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1xs8 h GLN 43 Cb 0.13 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1xs8 h GLN 43 CO -0.00 0.67 0.16 1.25 -0.67 0.00 0.00 178.83 180.24 1xs8 h HIS 44 N 0.99 0.32 0.23 2.96 2.76 -0.53 0.12 115.15 122.00 1xs8 h HIS 44 Ca 0.27 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.43 1xs8 h HIS 44 Cb -0.08 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 28.78 1xs8 h HIS 44 CO -0.02 0.21 -0.11 -0.22 -1.30 0.00 0.00 177.93 176.49 1xs8 h LYS 45 N 0.33 -0.30 -0.60 5.26 1.63 -0.32 -2.76 116.57 119.82 1xs8 h LYS 45 Ca 0.09 0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.87 1xs8 h LYS 45 Cb -0.03 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.64 1xs8 h LYS 45 CO -0.02 -0.14 0.22 0.37 -3.45 0.00 0.00 179.45 176.42 1xs8 h GLN 46 N -0.38 0.88 -0.60 1.90 5.75 -0.49 -0.54 115.11 121.63 1xs8 h GLN 46 Ca -0.03 -0.15 0.06 0.00 -0.15 0.00 0.00 58.65 58.38 1xs8 h GLN 46 Cb 0.29 -0.15 -0.05 0.00 1.07 0.00 0.00 27.48 28.64 1xs8 h GLN 46 CO 0.05 0.74 0.31 1.15 -2.65 0.00 0.00 178.83 178.43 1xs8 h THR 47 N 0.86 0.93 -0.44 2.39 2.02 -0.66 0.38 112.91 118.39 1xs8 h THR 47 Ca 0.20 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1xs8 h THR 47 Cb 0.20 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 1xs8 h THR 47 CO -0.01 0.10 0.19 -0.03 0.37 0.00 0.00 175.52 176.14 1xs8 h MET 48 N 0.57 0.65 -0.76 6.66 1.85 -1.05 -2.63 114.93 120.21 1xs8 h MET 48 Ca 0.27 -0.11 -0.02 0.00 -0.61 0.00 0.00 59.70 59.24 1xs8 h MET 48 Cb 0.20 -0.11 -0.04 0.00 0.43 0.00 0.00 31.60 32.09 1xs8 h MET 48 CO -0.19 0.59 0.41 -0.07 -0.40 0.00 0.00 176.91 177.24 1xs8 h LEU 49 N 0.57 0.95 -1.13 3.39 4.07 -0.10 -0.02 115.31 123.03 1xs8 h LEU 49 Ca 0.15 -0.08 -0.03 0.00 0.08 0.00 0.00 57.88 57.99 1xs8 h LEU 49 Cb 0.17 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.64 1xs8 h LEU 49 CO -0.01 0.77 0.21 0.40 -1.08 0.00 0.00 178.44 178.72 1xs8 h ILE 50 N 1.06 1.21 0.00 1.22 2.04 -0.08 0.65 117.51 123.61 1xs8 h ILE 50 Ca 0.27 -0.67 -0.12 0.00 1.00 0.00 0.00 64.86 65.34 1xs8 h ILE 50 Cb 0.04 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1xs8 h ILE 50 CO -0.04 0.26 -0.57 0.78 0.00 0.00 0.00 178.15 178.58 1xs8 h ASN 51 N 0.81 0.00 0.03 1.72 2.35 -0.99 0.94 115.58 120.44 1xs8 h ASN 51 Ca 0.19 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.81 1xs8 h ASN 51 Cb 0.18 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1xs8 h ASN 51 CO -0.02 0.57 -0.68 -0.33 -1.65 0.00 0.00 177.43 175.33 1xs8 h GLU 52 N 0.00 0.06 0.00 0.81 4.39 -0.32 -3.34 114.58 116.19 1xs8 h GLU 52 Ca -0.01 -0.10 -0.13 0.00 0.34 0.00 0.00 59.36 59.47 1xs8 h GLU 52 Cb 1.26 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.93 1xs8 h GLU 52 CO 0.07 1.05 -0.60 0.87 -1.16 0.00 0.00 179.01 179.25 1xs8 h LYS 53 N -0.85 0.00 -5.88 2.33 1.57 0.17 -3.48 116.57 110.42 1xs8 h LYS 53 Ca -0.17 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.43 1xs8 h LYS 53 Cb 1.26 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.58 1xs8 h LYS 53 CO -0.05 0.60 -0.73 1.63 -0.57 0.00 0.00 179.45 180.33 1xs8 n LYS 54 N -3.68 -1.99 -4.31 3.15 5.02 0.32 -5.03 118.16 111.64 1xs8 n LYS 54 Ca -0.01 1.65 -0.21 0.00 -2.02 0.00 0.00 58.31 57.73 1xs8 n LYS 54 Cb 0.63 -4.12 -0.11 0.00 -0.02 0.00 0.00 35.03 31.40 1xs8 n LYS 54 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1xs8 s LEU 55 N -3.03 2.44 -0.28 -0.35 0.05 -1.22 -5.07 118.68 111.21 1xs8 s LEU 55 Ca 0.23 -0.86 -0.13 0.00 0.05 0.00 0.00 54.13 53.43 1xs8 s LEU 55 Cb -0.04 -0.76 -0.04 0.00 -2.05 0.00 0.00 46.19 43.29 1xs8 s LEU 55 CO 0.82 -0.06 0.26 0.20 -0.55 0.00 0.00 176.35 177.01 1xs8 s ASN 56 N -2.65 6.11 0.00 1.48 -0.87 -1.26 -4.94 114.94 112.80 1xs8 s ASN 56 Ca 0.15 0.09 0.21 0.00 -1.57 0.00 0.00 52.86 51.74 1xs8 s ASN 56 Cb -0.05 -2.15 1.03 0.00 -0.02 0.00 0.00 41.25 40.05 1xs8 s ASN 56 CO 0.06 -0.11 1.69 0.23 -2.57 0.00 0.00 177.10 176.40 1xs8 n MET 57 N 5.17 0.20 0.09 -0.60 2.81 -1.26 -2.69 117.12 120.83 1xs8 n MET 57 Ca -0.12 0.10 0.01 0.00 -1.81 0.00 0.00 57.70 55.89 1xs8 n MET 57 Cb 0.51 -1.50 0.35 0.00 -0.71 0.00 0.00 33.22 31.88 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 0.29 -6.53 0.03 2.86 -1.97 -3.40 114.93 106.20 1xs8 h MET 58 Ca 0.00 -0.07 -0.52 0.00 -2.06 0.00 0.00 59.70 57.05 1xs8 h MET 58 Cb 0.26 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 1xs8 h MET 58 CO 0.00 0.44 0.29 -0.80 1.06 0.00 0.00 176.91 177.89 1xs8 s ASN 59 N -6.85 7.45 0.51 1.22 -0.87 -1.10 -4.94 114.94 110.36 1xs8 s ASN 59 Ca -0.06 1.73 0.17 0.00 -1.57 0.00 0.00 52.86 53.13 1xs8 s ASN 59 Cb 0.15 -2.55 1.26 0.00 -0.02 0.00 0.00 41.25 40.09 1xs8 s ASN 59 CO 0.74 0.03 2.11 0.00 -2.57 0.00 0.00 177.10 177.41 1xs8 h ALA 60 N 5.17 2.09 -0.49 0.60 0.00 -1.89 -1.98 119.26 122.75 1xs8 h ALA 60 Ca -0.44 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.55 1xs8 h ALA 60 Cb 1.21 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.89 1xs8 h ALA 60 CO 0.70 -0.13 -0.40 0.93 0.00 0.00 0.00 179.25 180.35 1xs8 h GLU 61 N 0.05 -0.25 0.00 0.00 5.08 -1.92 -1.90 114.58 115.64 1xs8 h GLU 61 Ca 0.07 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1xs8 h GLU 61 Cb 0.23 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1xs8 h GLU 61 CO -0.01 -0.17 -0.63 0.45 -1.00 0.00 0.00 179.01 177.66 1xs8 h HIS 62 N -0.26 0.00 0.03 4.33 3.86 -1.62 -2.54 115.15 118.96 1xs8 h HIS 62 Ca 0.17 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1xs8 h HIS 62 Cb 0.57 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.04 1xs8 h HIS 62 CO -0.65 0.11 -0.02 -0.09 0.86 0.00 0.00 177.93 178.15 1xs8 h ARG 63 N 0.00 -0.04 0.00 2.45 9.65 -0.99 -0.09 114.38 125.35 1xs8 h ARG 63 Ca -0.02 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.76 1xs8 h ARG 63 Cb 1.10 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.67 1xs8 h ARG 63 CO 0.01 0.22 -0.51 1.57 2.80 0.00 0.00 179.97 184.06 1xs8 h LYS 64 N -0.31 0.00 -0.38 0.20 2.10 -1.43 -2.72 116.57 114.02 1xs8 h LYS 64 Ca -0.00 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.66 1xs8 h LYS 64 Cb 0.29 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.59 1xs8 h LYS 64 CO 0.01 0.51 0.23 1.25 -2.00 0.00 0.00 179.45 179.45 1xs8 h LEU 65 N 0.00 0.39 -0.55 7.07 5.85 -1.27 0.22 115.31 127.02 1xs8 h LEU 65 Ca -0.01 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.79 1xs8 h LEU 65 Cb 1.15 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.03 1xs8 h LEU 65 CO 0.07 0.28 0.21 0.25 -0.34 0.00 0.00 178.44 178.91 1xs8 h LEU 66 N 0.48 0.22 0.05 2.25 5.85 -0.84 -0.07 115.31 123.25 1xs8 h LEU 66 Ca 0.15 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1xs8 h LEU 66 Cb -0.02 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1xs8 h LEU 66 CO -0.06 0.15 -0.06 -0.08 -0.34 0.00 0.00 178.44 178.06 1xs8 h GLU 67 N 0.40 -0.12 -0.56 1.25 4.81 -1.07 0.86 114.58 120.14 1xs8 h GLU 67 Ca 0.27 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.53 1xs8 h GLU 67 Cb 0.29 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 1xs8 h GLU 67 CO -0.26 -0.08 0.35 1.96 -0.73 0.00 0.00 179.01 180.25 1xs8 h GLN 68 N -0.12 0.67 -0.55 1.92 4.20 -0.10 0.19 115.11 121.31 1xs8 h GLN 68 Ca 0.01 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.58 1xs8 h GLN 68 Cb 0.13 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 1xs8 h GLN 68 CO -0.03 0.44 -0.05 0.93 -0.67 0.00 0.00 178.83 179.46 1xs8 h GLU 69 N 0.69 0.99 -0.12 1.46 5.08 -0.89 -1.75 114.58 120.04 1xs8 h GLU 69 Ca 0.22 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1xs8 h GLU 69 Cb 0.00 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1xs8 h GLU 69 CO -0.09 1.00 0.06 1.98 -1.00 0.00 0.00 179.01 180.96 1xs8 h MET 70 N 0.89 0.18 0.00 2.33 4.05 0.02 -0.30 114.93 122.11 1xs8 h MET 70 Ca 0.15 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.52 1xs8 h MET 70 Cb 0.59 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.36 1xs8 h MET 70 CO 0.04 0.25 -0.14 0.28 0.23 0.00 0.00 176.91 177.57 1xs8 h VAL 71 N 0.07 0.57 0.09 -5.77 2.07 -0.59 0.10 116.25 112.78 1xs8 h VAL 71 Ca 0.04 -0.63 -0.25 0.00 0.82 0.00 0.00 66.70 66.68 1xs8 h VAL 71 Cb 0.13 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1xs8 h VAL 71 CO -0.00 0.14 -1.15 -1.28 0.02 0.00 0.00 177.57 175.29 1xs8 h SER 72 N 0.00 0.31 0.00 0.57 0.87 -0.77 0.52 113.55 115.05 1xs8 h SER 72 Ca -0.00 -0.32 -0.13 0.00 -1.23 0.00 0.00 61.79 60.10 1xs8 h SER 72 Cb 0.40 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 1xs8 h SER 72 CO 0.02 1.24 -0.77 0.15 -0.53 0.00 0.00 176.83 176.94 1xs8 h PHE 73 N 0.06 0.00 0.07 2.24 3.57 -0.41 -3.32 116.94 119.15 1xs8 h PHE 73 Ca -0.10 0.00 -0.35 0.00 3.53 0.00 0.00 57.97 61.05 1xs8 h PHE 73 Cb 1.89 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.59 1xs8 h PHE 73 CO 0.05 1.14 -2.04 1.28 -2.23 0.00 0.00 178.31 176.51 1xs8 n LEU 74 N -4.52 2.10 -0.03 0.59 4.77 0.29 -4.54 117.00 115.65 1xs8 n LEU 74 Ca -0.22 0.19 -0.22 0.00 -0.03 0.00 0.00 56.01 55.73 1xs8 n LEU 74 Cb 0.55 -0.67 -0.13 0.00 -2.33 0.00 0.00 43.42 40.84 1xs8 n LEU 74 CO 0.21 0.74 -0.77 0.33 -1.33 0.00 0.00 177.39 176.57 1xs8 n PHE 75 N -3.29 1.13 -1.86 -1.77 7.35 -1.10 -3.86 117.46 114.07 1xs8 n PHE 75 Ca -0.31 0.30 -0.18 0.00 -0.76 0.00 0.00 57.45 56.50 1xs8 n PHE 75 Cb 1.05 -1.14 -0.05 0.00 0.35 0.00 0.00 39.48 39.69 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 -3.73 -1.30 -3.20 -4.13 -0.58 0.18 -4.92 120.64 102.97 1xs8 n GLU 76 Ca -0.33 1.01 -0.23 0.00 -0.42 0.00 0.00 57.16 57.19 1xs8 n GLU 76 Cb 0.95 -5.35 -0.06 0.00 -0.57 0.00 0.00 31.44 26.42 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 -0.90 3.70 3.22 0.62 0.00 -1.21 -5.03 105.19 105.58 1xs8 n GLY 77 Ca -0.19 -1.93 -0.32 0.00 0.00 0.00 0.00 46.02 43.58 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 -2.02 3.06 -0.04 1.61 0.00 -1.26 -4.98 119.74 116.10 1xs8 s LYS 78 Ca 0.39 -0.87 0.20 0.00 0.00 0.00 0.00 55.97 55.69 1xs8 s LYS 78 Cb 0.24 -2.34 -0.31 0.00 0.00 0.00 0.00 37.83 35.41 1xs8 s LYS 78 CO -0.09 0.14 0.41 -0.25 0.00 0.00 0.00 175.35 175.57 1xs8 n ASP 79 N 3.63 0.28 -4.72 0.03 9.92 -1.26 -4.96 116.55 119.48 1xs8 n ASP 79 Ca -0.19 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.65 1xs8 n ASP 79 Cb 0.53 1.84 -0.03 0.00 -0.64 0.00 0.00 41.12 42.82 1xs8 n ASP 79 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1xs8 s VAL 80 N -3.34 2.86 -0.16 2.53 1.01 -1.26 -4.93 120.40 117.11 1xs8 s VAL 80 Ca -0.08 0.60 -0.29 0.00 0.00 0.00 0.00 61.98 62.21 1xs8 s VAL 80 Cb 0.12 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 1xs8 s VAL 80 CO 0.85 0.04 1.53 -1.00 0.00 0.00 0.00 175.10 176.52 1xs8 s HIS 81 N 1.23 2.27 -0.40 5.22 3.76 -1.26 -4.96 115.29 121.15 1xs8 s HIS 81 Ca 0.69 0.56 -0.25 0.00 -0.15 0.00 0.00 55.06 55.91 1xs8 s HIS 81 Cb -0.41 -3.85 0.02 0.00 1.11 0.00 0.00 32.58 29.45 1xs8 s HIS 81 CO 0.31 -2.86 0.90 0.42 -0.85 0.00 0.00 174.74 172.66 1xs8 s ILE 82 N 4.40 4.58 0.07 0.60 1.01 -1.26 -4.52 121.20 126.08 1xs8 s ILE 82 Ca 0.67 1.00 0.00 0.00 0.00 0.00 0.00 60.65 62.32 1xs8 s ILE 82 Cb -0.26 -4.34 0.00 0.00 0.01 0.00 0.00 42.46 37.87 1xs8 s ILE 82 CO 0.26 -0.61 0.00 1.21 0.00 0.00 0.00 174.94 175.80 1xs8 n GLU 83 N 6.82 0.00 0.00 2.79 2.13 -1.26 -5.17 120.64 125.96 1xs8 n GLU 83 Ca 0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.88 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 -1.34 4.52 7.00 8.31 0.00 -1.26 -5.15 105.19 117.27 1xs8 n GLY 84 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1xs8 n GLY 84 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xs8 n TYR 85 N -1.80 -0.84 -2.74 1.61 4.01 -1.26 -4.27 117.16 111.88 1xs8 n TYR 85 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 1xs8 n TYR 85 Cb 0.00 0.17 -0.03 0.00 -0.31 0.00 0.00 39.34 39.17 1xs8 n TYR 85 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1xs8 s THR 86 N 0.00 4.56 0.00 -0.72 2.01 -1.26 -4.98 115.64 115.25 1xs8 s THR 86 Ca 0.00 1.46 -0.00 0.00 0.31 0.00 0.00 61.69 63.46 1xs8 s THR 86 Cb 0.00 -4.36 -0.00 0.00 0.01 0.00 0.00 72.50 68.15 1xs8 s THR 86 CO 0.00 -0.49 1.00 1.55 -0.69 0.00 0.00 174.62 175.99 1xs8 h PRO 87 N 8.27 -0.00 0.00 4.92 0.13 -1.89 -3.44 132.00 139.99 1xs8 h PRO 87 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1xs8 h PRO 87 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1xs8 h PRO 87 CO 1.00 -0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.92 1xs8 n GLU 88 N -2.57 0.00 -3.81 0.86 0.00 -1.26 -5.05 120.64 108.81 1xs8 n GLU 88 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 57.16 56.81 1xs8 n GLU 88 Cb 0.00 -0.07 -0.10 0.00 0.00 0.00 0.00 31.44 31.28 1xs8 n GLU 88 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1xs8 s ASP 89 N -2.10 5.85 -0.30 -1.84 2.15 -1.26 -5.06 116.67 114.12 1xs8 s ASP 89 Ca 0.00 0.09 -0.24 0.00 0.43 0.00 0.00 52.55 52.83 1xs8 s ASP 89 Cb 0.00 -2.03 0.00 0.00 -0.30 0.00 0.00 42.92 40.59 1xs8 s ASP 89 CO 0.00 0.12 0.82 -0.54 -0.17 0.00 0.00 175.17 175.39 1xs8 s LYS 90 N 0.72 4.01 0.00 4.34 1.02 -1.26 -5.05 119.74 123.52 1xs8 s LYS 90 Ca 0.06 0.68 0.24 0.00 0.02 0.00 0.00 55.97 56.97 1xs8 s LYS 90 Cb -0.13 -3.71 0.19 0.00 -0.52 0.00 0.00 37.83 33.66 1xs8 s LYS 90 CO 0.02 -0.67 1.26 1.63 -0.92 0.00 0.00 175.35 176.67