#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 4.44 -3.51 6.12 3.41 -1.26 -4.39 113.62 118.43 1xs8 n SER 2 Ca 0.00 -2.92 -0.22 0.00 -0.26 0.00 0.00 58.87 55.46 1xs8 n SER 2 Cb 0.00 -1.63 -0.14 0.00 -0.26 0.00 0.00 64.21 62.18 1xs8 n SER 2 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1xs8 s ARG 3 N 2.69 0.19 -0.62 4.33 3.52 -1.26 -5.04 118.95 122.76 1xs8 s ARG 3 Ca 0.47 -0.11 -0.28 0.00 -0.13 0.00 0.00 55.73 55.68 1xs8 s ARG 3 Cb 0.10 -1.21 0.03 0.00 -1.56 0.00 0.00 34.95 32.31 1xs8 s ARG 3 CO -0.03 -0.83 1.20 0.99 -0.81 0.00 0.00 175.30 175.82 1xs8 s THR 4 N 2.24 3.97 0.26 4.11 2.01 -1.26 -1.93 115.64 125.04 1xs8 s THR 4 Ca 0.07 0.75 0.12 0.00 0.31 0.00 0.00 61.69 62.94 1xs8 s THR 4 Cb -0.15 -4.76 -0.05 0.00 0.01 0.00 0.00 72.50 67.54 1xs8 s THR 4 CO -0.22 -1.45 -0.20 0.27 -0.69 0.00 0.00 174.62 172.33 1xs8 s ILE 5 N 5.08 2.39 -0.54 1.82 -5.25 0.53 -4.90 121.20 120.33 1xs8 s ILE 5 Ca 0.40 -2.33 -0.17 0.00 -0.99 0.00 0.00 60.65 57.57 1xs8 s ILE 5 Cb -0.08 -2.25 0.11 0.00 2.95 0.00 0.00 42.46 43.20 1xs8 s ILE 5 CO 0.23 -0.37 0.54 -0.36 -1.79 0.00 0.00 174.94 173.18 1xs8 s PHE 6 N -2.42 3.18 0.21 1.37 0.08 -1.26 0.31 117.98 119.45 1xs8 s PHE 6 Ca 0.28 -1.13 -0.30 0.00 0.12 0.00 0.00 56.93 55.90 1xs8 s PHE 6 Cb -0.05 -3.76 -0.08 0.00 -0.57 0.00 0.00 43.02 38.56 1xs8 s PHE 6 CO 0.13 -1.06 1.17 0.00 -0.10 0.00 0.00 175.22 175.37 1xs8 h THR 8 N 3.59 1.18 -0.15 0.00 1.35 -1.34 0.29 112.91 117.83 1xs8 h THR 8 Ca -0.45 -0.48 -0.11 0.00 -0.55 0.00 0.00 66.41 64.82 1xs8 h THR 8 Cb 1.21 0.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 1xs8 h THR 8 CO 0.72 0.20 -0.34 0.22 -0.25 0.00 0.00 175.52 176.07 1xs8 h TYR 9 N 0.74 0.63 0.00 4.73 3.20 -1.79 -3.30 116.97 121.18 1xs8 h TYR 9 Ca 0.19 -0.24 -0.18 0.00 3.14 0.00 0.00 58.73 61.65 1xs8 h TYR 9 Cb 0.07 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 1xs8 h TYR 9 CO 0.01 0.96 -1.33 -0.07 -1.64 0.00 0.00 178.16 176.09 1xs8 h LEU 10 N 0.11 0.00 0.40 2.82 4.07 -1.90 -3.48 115.31 117.34 1xs8 h LEU 10 Ca -0.00 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.79 1xs8 h LEU 10 Cb 0.95 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.62 1xs8 h LEU 10 CO 0.07 0.63 -0.16 0.00 -1.08 0.00 0.00 178.44 177.90 1xs8 n GLN 11 N -2.96 -0.97 -4.55 1.13 1.13 0.10 -4.98 117.38 106.29 1xs8 n GLN 11 Ca -0.09 0.73 -0.25 0.00 -1.94 0.00 0.00 57.00 55.45 1xs8 n GLN 11 Cb 0.85 -4.72 -0.10 0.00 0.11 0.00 0.00 30.24 26.39 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 -2.46 1.86 -0.01 -1.09 0.52 -1.25 -4.92 118.95 111.60 1xs8 s ARG 12 Ca 0.00 -2.08 -0.30 0.00 -0.52 0.00 0.00 55.73 52.83 1xs8 s ARG 12 Cb 0.00 -1.08 -0.03 0.00 0.52 0.00 0.00 34.95 34.36 1xs8 s ARG 12 CO 0.00 -0.25 1.05 0.16 0.02 0.00 0.00 175.30 176.29 1xs8 s ASP 13 N -3.62 7.26 0.36 0.23 -4.77 -1.26 -2.28 116.67 112.59 1xs8 s ASP 13 Ca 0.29 1.74 -0.02 0.00 -3.30 0.00 0.00 52.55 51.26 1xs8 s ASP 13 Cb 0.07 -2.57 0.01 0.00 -1.09 0.00 0.00 42.92 39.34 1xs8 s ASP 13 CO 0.14 -0.37 0.50 0.00 0.70 0.00 0.00 175.17 176.15 1xs8 n ALA 14 N 4.18 -0.36 -2.11 2.11 0.00 0.15 -4.93 120.51 119.54 1xs8 n ALA 14 Ca 0.08 -1.66 -0.35 0.00 0.00 0.00 0.00 53.44 51.50 1xs8 n ALA 14 Cb 0.49 1.33 -0.06 0.00 0.00 0.00 0.00 19.45 21.22 1xs8 n ALA 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1xs8 s GLU 15 N -2.81 4.20 1.02 0.00 -1.05 -1.26 -0.35 118.70 118.46 1xs8 s GLU 15 Ca 0.30 0.83 -0.12 0.00 -0.15 0.00 0.00 54.97 55.82 1xs8 s GLU 15 Cb -0.01 -2.80 0.20 0.00 -0.44 0.00 0.00 34.13 31.08 1xs8 s GLU 15 CO 0.21 0.35 1.08 0.20 0.95 0.00 0.00 175.26 178.05 1xs8 s GLY 16 N -1.76 1.58 0.00 -3.83 0.00 -0.81 -4.20 107.32 98.29 1xs8 s GLY 16 Ca 0.45 -0.15 0.00 0.00 0.00 0.00 0.00 44.72 45.02 1xs8 s GLY 16 CO 0.20 0.45 0.00 -1.06 0.00 0.00 0.00 173.10 172.69 1xs8 n GLN 17 N -4.33 0.00 -0.96 2.90 6.02 -0.73 -4.49 117.38 115.80 1xs8 n GLN 17 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 1xs8 n GLN 17 Cb 0.55 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.81 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 0.33 -4.76 1.08 9.92 -1.26 -4.90 116.55 116.96 1xs8 n ASP 18 Ca 0.00 -0.48 -0.23 0.00 -0.53 0.00 0.00 54.79 53.55 1xs8 n ASP 18 Cb 0.00 0.00 0.09 0.00 -0.64 0.00 0.00 41.12 40.57 1xs8 n ASP 18 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1xs8 s PHE 19 N -1.23 1.92 -0.76 1.24 -0.71 -1.26 -4.99 117.98 112.19 1xs8 s PHE 19 Ca 0.00 -0.19 -0.26 0.00 -1.04 0.00 0.00 56.93 55.44 1xs8 s PHE 19 Cb 0.00 -2.94 -0.02 0.00 -1.21 0.00 0.00 43.02 38.86 1xs8 s PHE 19 CO 0.00 -1.51 1.77 -0.65 -1.34 0.00 0.00 175.22 173.49 1xs8 s GLN 20 N -5.06 2.77 -0.00 1.99 -1.52 -1.26 -4.69 119.66 111.89 1xs8 s GLN 20 Ca 0.64 0.05 0.03 0.00 -1.95 0.00 0.00 55.36 54.14 1xs8 s GLN 20 Cb -0.07 -4.66 -0.04 0.00 -0.22 0.00 0.00 33.01 28.03 1xs8 s GLN 20 CO 0.43 -2.80 0.13 1.47 -0.25 0.00 0.00 175.29 174.27 1xs8 n LEU 21 N 12.30 0.13 0.08 2.90 -0.00 -1.26 -4.94 117.00 126.21 1xs8 n LEU 21 Ca 0.25 -0.44 0.00 0.00 -0.00 0.00 0.00 56.01 55.82 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 0.67 0.03 0.00 0.00 -0.00 0.00 0.00 177.39 178.09 1xs8 n TYR 22 N -1.14 -2.57 -2.42 1.47 9.36 -1.26 -5.15 117.16 115.44 1xs8 n TYR 22 Ca 0.00 0.47 -0.24 0.00 3.32 0.00 0.00 57.90 61.46 1xs8 n TYR 22 Cb 0.06 1.42 0.09 0.00 -0.63 0.00 0.00 39.34 40.28 1xs8 n TYR 22 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1xs8 s PRO 23 N -2.00 1.93 0.00 2.98 0.05 -1.26 -5.11 135.00 131.59 1xs8 s PRO 23 Ca 0.00 -0.72 0.00 0.00 0.05 0.00 0.00 61.00 60.33 1xs8 s PRO 23 Cb 0.00 -2.28 0.00 0.00 0.05 0.00 0.00 34.50 32.27 1xs8 s PRO 23 CO 0.00 -1.31 0.00 0.41 0.05 0.00 0.00 177.00 176.15 1xs8 n GLY 24 N -2.83 1.24 0.18 0.56 0.00 -1.26 -4.75 105.19 98.34 1xs8 n GLY 24 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 0.55 -0.18 1.61 5.08 -2.00 -0.88 114.58 118.77 1xs8 h GLU 25 Ca 0.00 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1xs8 h GLU 25 Cb 0.00 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1xs8 h GLU 25 CO 0.00 0.56 -0.05 1.25 -1.00 0.00 0.00 179.01 179.77 1xs8 h LEU 26 N 0.43 0.24 0.55 1.33 5.85 -2.00 -2.81 115.31 118.90 1xs8 h LEU 26 Ca 0.12 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1xs8 h LEU 26 Cb 0.24 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.21 1xs8 h LEU 26 CO -0.01 0.34 -0.26 1.23 -0.34 0.00 0.00 178.44 179.40 1xs8 h GLY 27 N 0.63 -0.77 1.29 3.75 0.00 -1.53 -2.37 103.07 104.07 1xs8 h GLY 27 Ca 0.06 0.28 0.05 0.00 0.00 0.00 0.00 47.33 47.73 1xs8 h GLY 27 CO 0.01 -0.28 0.35 0.07 0.00 0.00 0.00 176.54 176.69 1xs8 h LYS 28 N -0.90 0.48 0.74 4.80 2.10 -1.12 0.24 116.57 122.92 1xs8 h LYS 28 Ca -0.08 -0.03 -0.03 0.00 -2.00 0.00 0.00 60.65 58.51 1xs8 h LYS 28 Cb 0.62 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 1xs8 h LYS 28 CO 0.12 0.32 -0.39 -0.09 -2.00 0.00 0.00 179.45 177.41 1xs8 h ARG 29 N 0.50 -1.01 -0.74 0.07 2.43 -1.42 -2.26 114.38 111.95 1xs8 h ARG 29 Ca 0.22 0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.49 1xs8 h ARG 29 Cb 0.25 0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 29.99 1xs8 h ARG 29 CO -0.06 -0.67 0.49 0.82 -1.51 0.00 0.00 179.97 179.04 1xs8 h ILE 30 N -1.05 1.14 0.00 1.20 2.04 -0.71 -1.71 117.51 118.42 1xs8 h ILE 30 Ca -0.10 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 1xs8 h ILE 30 Cb 0.82 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1xs8 h ILE 30 CO 0.14 0.17 -0.03 1.88 0.00 0.00 0.00 178.15 180.31 1xs8 h TYR 31 N 0.94 0.00 0.00 1.37 -1.99 -0.36 0.51 116.97 117.44 1xs8 h TYR 31 Ca 0.29 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.02 1xs8 h TYR 31 Cb -0.01 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.72 1xs8 h TYR 31 CO -0.00 0.03 -1.07 0.27 -0.00 0.00 0.00 178.16 177.39 1xs8 n ASN 32 N -3.17 0.84 -0.11 3.88 0.23 -0.69 -1.78 115.26 114.46 1xs8 n ASN 32 Ca -0.01 -0.69 0.02 0.00 -0.53 0.00 0.00 54.58 53.38 1xs8 n ASN 32 Cb 0.24 1.20 0.00 0.00 -2.08 0.00 0.00 39.78 39.14 1xs8 n ASN 32 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1xs8 n GLU 33 N -1.59 1.88 -4.70 -3.83 0.28 -0.94 -4.77 120.64 106.99 1xs8 n GLU 33 Ca 0.02 -0.48 -0.25 0.00 -0.16 0.00 0.00 57.16 56.29 1xs8 n GLU 33 Cb 0.32 -0.94 -0.16 0.00 1.43 0.00 0.00 31.44 32.09 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 -0.75 1.24 0.52 3.84 -1.09 0.18 -1.03 121.20 124.11 1xs8 s ILE 34 Ca 0.04 -0.60 -0.07 0.00 -2.23 0.00 0.00 60.65 57.79 1xs8 s ILE 34 Cb 0.03 -1.08 -0.03 0.00 -1.58 0.00 0.00 42.46 39.80 1xs8 s ILE 34 CO 0.10 0.37 0.85 -0.44 -1.23 0.00 0.00 174.94 174.58 1xs8 s SER 35 N 0.17 6.22 0.27 3.58 0.01 -1.26 -3.87 113.70 118.82 1xs8 s SER 35 Ca -0.05 1.03 -0.01 0.00 1.31 0.00 0.00 55.95 58.23 1xs8 s SER 35 Cb -0.11 -2.27 0.58 0.00 0.21 0.00 0.00 66.02 64.43 1xs8 s SER 35 CO 0.02 -0.67 1.71 0.11 0.41 0.00 0.00 173.24 174.83 1xs8 h LYS 36 N 0.08 0.41 0.27 12.44 1.57 -1.79 -0.72 116.57 128.84 1xs8 h LYS 36 Ca -0.46 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1xs8 h LYS 36 Cb 1.20 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 1xs8 h LYS 36 CO 0.62 0.27 -0.19 -0.44 -0.57 0.00 0.00 179.45 179.13 1xs8 h ASP 37 N 0.42 -0.50 -0.74 0.86 5.19 -1.93 0.15 116.42 119.88 1xs8 h ASP 37 Ca 0.48 0.04 -0.04 0.00 -0.62 0.00 0.00 57.03 56.89 1xs8 h ASP 37 Cb 0.82 0.16 -0.03 0.00 0.18 0.00 0.00 39.33 40.46 1xs8 h ASP 37 CO -0.47 -0.30 0.32 0.00 -3.12 0.00 0.00 179.24 175.67 1xs8 h ALA 38 N 0.23 1.16 -0.38 3.45 0.00 -1.76 0.07 119.26 122.04 1xs8 h ALA 38 Ca -0.02 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1xs8 h ALA 38 Cb 0.40 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1xs8 h ALA 38 CO 0.00 0.62 0.09 2.35 0.00 0.00 0.00 179.25 182.31 1xs8 h TRP 39 N 1.08 0.63 -0.84 0.00 2.91 -0.93 -1.55 115.95 117.25 1xs8 h TRP 39 Ca 0.25 -0.08 -0.03 0.00 1.13 0.00 0.00 58.89 60.17 1xs8 h TRP 39 Cb 0.16 -0.18 -0.04 0.00 -0.51 0.00 0.00 29.16 28.60 1xs8 h TRP 39 CO 0.02 0.62 0.41 0.00 -1.03 0.00 0.00 178.44 178.46 1xs8 h ALA 40 N 0.94 1.14 -0.43 2.65 0.00 -0.18 -0.05 119.26 123.32 1xs8 h ALA 40 Ca 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xs8 h ALA 40 Cb 0.31 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1xs8 h ALA 40 CO 0.00 0.66 0.27 1.96 0.00 0.00 0.00 179.25 182.14 1xs8 h GLN 41 N 1.19 0.57 -0.47 0.00 1.08 -0.78 -2.24 115.11 114.47 1xs8 h GLN 41 Ca 0.29 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.41 1xs8 h GLN 41 Cb 0.11 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.39 1xs8 h GLN 41 CO -0.04 0.40 0.16 2.35 -0.95 0.00 0.00 178.83 180.76 1xs8 h TRP 42 N 0.58 0.74 -0.57 2.96 -0.00 -0.77 -1.38 115.95 117.51 1xs8 h TRP 42 Ca 0.16 -0.07 0.07 0.00 -0.00 0.00 0.00 58.89 59.05 1xs8 h TRP 42 Cb -0.04 -0.22 -0.06 0.00 -0.00 0.00 0.00 29.16 28.84 1xs8 h TRP 42 CO -0.04 0.65 0.24 1.96 -0.00 0.00 0.00 178.44 181.25 1xs8 h GLN 43 N 0.62 0.44 -0.11 2.65 4.20 -0.74 0.26 115.11 122.43 1xs8 h GLN 43 Ca 0.15 -0.03 -0.16 0.00 0.06 0.00 0.00 58.65 58.67 1xs8 h GLN 43 Cb 0.24 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1xs8 h GLN 43 CO -0.01 0.29 -0.64 0.45 -0.67 0.00 0.00 178.83 178.26 1xs8 h HIS 44 N 0.45 0.52 -0.38 2.96 3.86 -1.28 -0.37 115.15 120.91 1xs8 h HIS 44 Ca 0.28 -0.21 -0.02 0.00 -1.16 0.00 0.00 60.37 59.26 1xs8 h HIS 44 Cb 0.28 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 1xs8 h HIS 44 CO -0.14 0.92 0.18 -0.22 0.86 0.00 0.00 177.93 179.53 1xs8 h LYS 45 N 0.29 0.56 -0.53 2.45 1.63 -0.40 0.14 116.57 120.71 1xs8 h LYS 45 Ca -0.01 -0.09 -0.04 0.00 -0.85 0.00 0.00 60.65 59.66 1xs8 h LYS 45 Cb 1.18 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.69 1xs8 h LYS 45 CO 0.11 0.51 0.16 0.37 -3.45 0.00 0.00 179.45 177.15 1xs8 h GLN 46 N 0.48 0.83 -0.34 1.90 5.75 -0.38 0.13 115.11 123.47 1xs8 h GLN 46 Ca 0.13 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1xs8 h GLN 46 Cb 0.14 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 1xs8 h GLN 46 CO -0.01 0.76 0.22 1.15 -2.65 0.00 0.00 178.83 178.30 1xs8 h THR 47 N 0.73 1.09 -0.74 2.39 2.02 -0.84 0.13 112.91 117.68 1xs8 h THR 47 Ca 0.17 -0.17 0.01 0.00 0.77 0.00 0.00 66.41 67.19 1xs8 h THR 47 Cb 0.28 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 1xs8 h THR 47 CO -0.00 0.09 0.49 -0.03 0.37 0.00 0.00 175.52 176.43 1xs8 h MET 48 N 0.46 0.95 -0.61 6.66 1.85 -0.46 -1.18 114.93 122.60 1xs8 h MET 48 Ca 0.12 -0.06 -0.06 0.00 -0.61 0.00 0.00 59.70 59.10 1xs8 h MET 48 Cb -0.05 -0.22 -0.03 0.00 0.43 0.00 0.00 31.60 31.74 1xs8 h MET 48 CO -0.03 0.63 0.16 1.25 -0.40 0.00 0.00 176.91 178.53 1xs8 h LEU 49 N 0.98 0.92 -0.31 3.39 5.85 -0.15 0.35 115.31 126.34 1xs8 h LEU 49 Ca 0.28 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1xs8 h LEU 49 Cb -0.08 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.69 1xs8 h LEU 49 CO -0.07 0.90 0.17 0.40 -0.34 0.00 0.00 178.44 179.50 1xs8 h ILE 50 N 0.89 1.13 0.00 4.05 2.04 -0.45 -0.18 117.51 124.99 1xs8 h ILE 50 Ca 0.19 -0.34 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 1xs8 h ILE 50 Cb 0.33 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1xs8 h ILE 50 CO -0.00 0.13 -0.22 -1.13 0.00 0.00 0.00 178.15 176.93 1xs8 h ASN 51 N 0.38 0.00 0.11 1.72 -1.24 -0.90 0.11 115.58 115.77 1xs8 h ASN 51 Ca 0.11 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.11 1xs8 h ASN 51 Cb 0.06 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.11 1xs8 h ASN 51 CO -0.02 0.22 -0.05 -0.08 -1.29 0.00 0.00 177.43 176.21 1xs8 h GLU 52 N 0.00 -0.14 0.00 6.67 4.81 0.16 -3.37 114.58 122.71 1xs8 h GLU 52 Ca -0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1xs8 h GLU 52 Cb 0.72 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1xs8 h GLU 52 CO 0.03 -0.09 -0.20 0.87 -0.73 0.00 0.00 179.01 178.89 1xs8 h LYS 53 N -0.51 0.00 -5.14 1.92 1.57 -1.12 -3.49 116.57 109.81 1xs8 h LYS 53 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1xs8 h LYS 53 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1xs8 h LYS 53 CO 0.02 0.00 -0.51 1.63 -0.57 0.00 0.00 179.45 180.02 1xs8 n LYS 54 N -2.47 -2.35 -4.09 3.15 4.76 0.02 -5.05 118.16 112.14 1xs8 n LYS 54 Ca 0.04 2.10 -0.29 0.00 -2.87 0.00 0.00 58.31 57.29 1xs8 n LYS 54 Cb 0.47 -5.43 -0.07 0.00 -1.84 0.00 0.00 35.03 28.16 1xs8 n LYS 54 CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 1xs8 s LEU 55 N -2.43 3.64 0.02 -0.35 0.05 -1.22 -5.08 118.68 113.31 1xs8 s LEU 55 Ca 0.21 -0.12 -0.01 0.00 0.05 0.00 0.00 54.13 54.26 1xs8 s LEU 55 Cb -0.06 -2.33 -0.04 0.00 -2.05 0.00 0.00 46.19 41.71 1xs8 s LEU 55 CO 0.73 0.15 0.16 0.54 -0.55 0.00 0.00 176.35 177.38 1xs8 s ASN 56 N -2.53 6.18 0.00 1.48 4.22 -1.26 -5.01 114.94 118.02 1xs8 s ASN 56 Ca 0.28 0.27 0.16 0.00 -2.14 0.00 0.00 52.86 51.42 1xs8 s ASN 56 Cb -0.11 -1.89 0.30 0.00 1.28 0.00 0.00 41.25 40.83 1xs8 s ASN 56 CO 0.21 0.23 1.20 0.23 -2.04 0.00 0.00 177.10 176.93 1xs8 n MET 57 N 0.79 2.08 0.11 3.55 2.81 -1.26 -4.00 117.12 121.21 1xs8 n MET 57 Ca -0.10 -1.91 0.12 0.00 -1.81 0.00 0.00 57.70 54.00 1xs8 n MET 57 Cb 0.52 -1.35 0.18 0.00 -0.71 0.00 0.00 33.22 31.86 1xs8 n MET 57 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1xs8 h MET 58 N 3.04 0.00 0.00 0.03 -0.00 -2.04 -3.47 114.93 112.49 1xs8 h MET 58 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 59.70 59.35 1xs8 h MET 58 Cb 0.76 0.00 0.10 0.00 -0.00 0.00 0.00 31.60 32.46 1xs8 h MET 58 CO 0.00 0.00 0.22 0.09 -0.00 0.00 0.00 176.91 177.22 1xs8 n ASN 59 N -2.48 0.54 -0.03 -0.10 4.13 -1.26 -5.03 115.26 111.04 1xs8 n ASN 59 Ca 0.03 -1.62 -0.11 0.00 1.68 0.00 0.00 54.58 54.56 1xs8 n ASN 59 Cb 0.48 -0.66 -0.14 0.00 -1.54 0.00 0.00 39.78 37.92 1xs8 n ASN 59 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xs8 n ALA 60 N -3.32 1.39 -0.32 5.41 0.00 -1.26 -4.46 120.51 117.95 1xs8 n ALA 60 Ca -0.15 -0.84 0.16 0.00 0.00 0.00 0.00 53.44 52.61 1xs8 n ALA 60 Cb 0.46 -0.69 0.35 0.00 0.00 0.00 0.00 19.45 19.57 1xs8 n ALA 60 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1xs8 h GLU 61 N 0.01 0.42 0.00 0.00 3.07 -1.96 0.12 114.58 116.24 1xs8 h GLU 61 Ca -0.36 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.46 1xs8 h GLU 61 Cb 2.05 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 29.86 1xs8 h GLU 61 CO 0.07 0.28 -0.08 1.12 -1.40 0.00 0.00 179.01 179.00 1xs8 h HIS 62 N 0.43 0.00 0.36 4.33 2.07 -1.80 -2.22 115.15 118.32 1xs8 h HIS 62 Ca 0.61 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 58.11 1xs8 h HIS 62 Cb 1.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.19 1xs8 h HIS 62 CO -0.09 0.08 -0.17 -0.09 -3.07 0.00 0.00 177.93 174.59 1xs8 h ARG 63 N 0.00 -0.46 -0.41 5.12 1.12 -1.05 -1.05 114.38 117.66 1xs8 h ARG 63 Ca -0.00 0.03 -0.10 0.00 -1.11 0.00 0.00 59.98 58.80 1xs8 h ARG 63 Cb 0.21 0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 30.26 1xs8 h ARG 63 CO 0.01 -0.16 -0.14 1.57 -3.11 0.00 0.00 179.97 178.15 1xs8 h LYS 64 N -0.98 0.74 -0.08 0.20 2.10 -1.64 -0.85 116.57 116.07 1xs8 h LYS 64 Ca -0.05 -0.26 0.01 0.00 -2.00 0.00 0.00 60.65 58.35 1xs8 h LYS 64 Cb 0.52 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.78 1xs8 h LYS 64 CO 0.08 0.85 0.01 1.25 -2.00 0.00 0.00 179.45 179.64 1xs8 h LEU 65 N 0.67 0.00 -0.47 7.07 5.85 -1.44 0.21 115.31 127.21 1xs8 h LEU 65 Ca 0.11 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 1xs8 h LEU 65 Cb 0.61 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1xs8 h LEU 65 CO 0.04 0.01 0.14 0.25 -0.34 0.00 0.00 178.44 178.54 1xs8 h LEU 66 N 0.05 0.69 -0.71 2.25 6.46 -1.02 -1.75 115.31 121.27 1xs8 h LEU 66 Ca 0.03 -0.21 -0.02 0.00 -0.12 0.00 0.00 57.88 57.56 1xs8 h LEU 66 Cb 0.03 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 39.74 1xs8 h LEU 66 CO -0.05 0.72 0.35 -0.08 -0.62 0.00 0.00 178.44 178.77 1xs8 h GLU 67 N 0.62 1.02 0.66 1.25 4.81 -0.81 0.21 114.58 122.34 1xs8 h GLU 67 Ca 0.15 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1xs8 h GLU 67 Cb 0.28 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.48 1xs8 h GLU 67 CO -0.00 0.79 -0.32 1.96 -0.73 0.00 0.00 179.01 180.71 1xs8 h GLN 68 N 0.99 -0.86 -0.79 1.92 4.20 -0.41 -2.37 115.11 117.79 1xs8 h GLN 68 Ca 0.25 0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.97 1xs8 h GLN 68 Cb 0.10 0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 1xs8 h GLN 68 CO -0.03 -0.55 0.32 0.93 -0.67 0.00 0.00 178.83 178.83 1xs8 h GLU 69 N -0.98 1.17 0.76 1.46 4.39 -1.21 -2.09 114.58 118.08 1xs8 h GLU 69 Ca -0.09 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.36 1xs8 h GLU 69 Cb 0.71 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1xs8 h GLU 69 CO 0.15 0.95 -0.41 1.98 -1.16 0.00 0.00 179.01 180.52 1xs8 h MET 70 N 1.14 -1.03 0.00 2.33 4.05 -0.57 0.18 114.93 121.02 1xs8 h MET 70 Ca 0.26 0.07 -0.07 0.00 -0.28 0.00 0.00 59.70 59.69 1xs8 h MET 70 Cb 0.21 0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 31.24 1xs8 h MET 70 CO -0.02 -0.69 -0.32 0.28 0.23 0.00 0.00 176.91 176.39 1xs8 h VAL 71 N -1.07 1.18 0.02 -5.77 2.07 -1.40 -0.68 116.25 110.60 1xs8 h VAL 71 Ca -0.10 -1.12 -0.25 0.00 0.82 0.00 0.00 66.70 66.05 1xs8 h VAL 71 Cb 0.84 1.61 0.02 0.00 -1.52 0.00 0.00 31.29 32.24 1xs8 h VAL 71 CO 0.14 0.31 -1.00 -1.28 0.02 0.00 0.00 177.57 175.77 1xs8 h SER 72 N 0.00 0.84 -0.33 0.57 0.87 -1.22 -0.24 113.55 114.04 1xs8 h SER 72 Ca -0.00 -0.76 -0.18 0.00 -1.23 0.00 0.00 61.79 59.62 1xs8 h SER 72 Cb 0.58 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1xs8 h SER 72 CO 0.04 1.49 -0.48 0.15 -0.53 0.00 0.00 176.83 177.51 1xs8 h PHE 73 N 0.28 1.11 0.06 2.24 3.57 -0.35 -1.40 116.94 122.46 1xs8 h PHE 73 Ca -0.13 -0.37 -0.23 0.00 3.53 0.00 0.00 57.97 60.77 1xs8 h PHE 73 Cb 1.67 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 40.17 1xs8 h PHE 73 CO 0.11 1.20 -1.21 -0.07 -2.23 0.00 0.00 178.31 176.12 1xs8 h LEU 74 N 0.71 0.21 0.00 0.59 3.38 -1.21 -3.41 115.31 115.58 1xs8 h LEU 74 Ca 0.03 -0.77 -0.36 0.00 0.09 0.00 0.00 57.88 56.88 1xs8 h LEU 74 Cb 1.08 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.70 1xs8 h LEU 74 CO 0.11 1.51 -2.27 0.33 0.09 0.00 0.00 178.44 178.21 1xs8 n PHE 75 N -4.15 0.19 -2.66 1.13 7.35 -0.14 -3.48 117.46 115.70 1xs8 n PHE 75 Ca -0.26 0.07 -0.21 0.00 -0.76 0.00 0.00 57.45 56.29 1xs8 n PHE 75 Cb 0.78 -1.03 0.01 0.00 0.35 0.00 0.00 39.48 39.59 1xs8 n PHE 75 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1xs8 n GLU 76 N -2.81 -3.06 -3.09 -4.13 -0.58 -0.53 -4.93 120.64 101.51 1xs8 n GLU 76 Ca -0.30 0.97 -0.10 0.00 -0.42 0.00 0.00 57.16 57.31 1xs8 n GLU 76 Cb 1.14 -5.71 -0.03 0.00 -0.57 0.00 0.00 31.44 26.26 1xs8 n GLU 76 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1xs8 s GLY 77 N -2.34 -0.55 0.47 0.62 0.00 -1.26 -5.05 107.32 99.22 1xs8 s GLY 77 Ca 0.13 -0.79 0.06 0.00 0.00 0.00 0.00 44.72 44.12 1xs8 s GLY 77 CO 0.16 3.18 0.27 0.54 0.00 0.00 0.00 173.10 177.25 1xs8 s LYS 78 N 1.03 2.27 -0.18 2.90 1.02 -1.26 -4.96 119.74 120.55 1xs8 s LYS 78 Ca 0.25 -1.94 0.01 0.00 0.02 0.00 0.00 55.97 54.30 1xs8 s LYS 78 Cb -0.03 -2.02 -0.11 0.00 -0.52 0.00 0.00 37.83 35.15 1xs8 s LYS 78 CO -0.08 -0.35 -0.16 -0.25 -0.92 0.00 0.00 175.35 173.60 1xs8 n ASP 79 N -1.48 2.53 -4.63 2.83 9.92 -1.26 -4.94 116.55 119.52 1xs8 n ASP 79 Ca -0.03 -0.07 -0.43 0.00 -0.53 0.00 0.00 54.79 53.73 1xs8 n ASP 79 Cb 0.64 -0.30 -0.02 0.00 -0.64 0.00 0.00 41.12 40.80 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 -2.35 4.20 0.57 2.53 1.01 -1.26 -5.01 120.40 120.08 1xs8 s VAL 80 Ca -0.24 1.37 -0.20 0.00 0.00 0.00 0.00 61.98 62.91 1xs8 s VAL 80 Cb 0.06 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1xs8 s VAL 80 CO 0.40 -0.43 1.25 -1.00 0.00 0.00 0.00 175.10 175.33 1xs8 s HIS 81 N 4.19 2.38 -0.88 5.22 3.76 -1.26 -4.97 115.29 123.73 1xs8 s HIS 81 Ca 0.55 1.48 -0.11 0.00 -0.15 0.00 0.00 55.06 56.83 1xs8 s HIS 81 Cb -0.17 -3.59 0.23 0.00 1.11 0.00 0.00 32.58 30.16 1xs8 s HIS 81 CO 0.21 -2.41 0.81 0.42 -0.85 0.00 0.00 174.74 172.92 1xs8 s ILE 82 N -1.48 5.38 0.00 0.60 1.01 -1.26 -4.55 121.20 120.90 1xs8 s ILE 82 Ca 0.75 -2.87 0.00 0.00 0.00 0.00 0.00 60.65 58.53 1xs8 s ILE 82 Cb -0.34 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 37.82 1xs8 s ILE 82 CO 0.38 -1.05 0.00 -0.62 0.00 0.00 0.00 174.94 173.65 1xs8 n GLU 83 N 3.48 0.00 0.00 2.79 1.02 -1.26 -5.05 120.64 121.62 1xs8 n GLU 83 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1xs8 n GLU 83 Cb 0.43 -0.39 0.00 0.00 -0.02 0.00 0.00 31.44 31.47 1xs8 n GLU 83 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xs8 n GLY 84 N 0.35 3.15 3.39 0.62 0.00 -1.26 -5.03 105.19 106.41 1xs8 n GLY 84 Ca 0.00 -1.08 -0.15 0.00 0.00 0.00 0.00 46.02 44.80 1xs8 n GLY 84 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xs8 s TYR 85 N -0.09 -0.42 -0.03 1.61 1.13 -1.26 -5.17 117.35 113.13 1xs8 s TYR 85 Ca 0.00 0.56 0.01 0.00 -1.41 0.00 0.00 57.07 56.23 1xs8 s TYR 85 Cb 0.00 0.30 0.02 0.00 -1.10 0.00 0.00 41.96 41.18 1xs8 s TYR 85 CO 0.00 -0.58 -0.02 -0.08 -2.51 0.00 0.00 175.55 172.35 1xs8 s THR 86 N -1.96 0.32 1.04 -3.49 -1.32 -1.26 -5.09 115.64 103.89 1xs8 s THR 86 Ca -0.08 -0.04 -0.17 0.00 -1.21 0.00 0.00 61.69 60.18 1xs8 s THR 86 Cb -0.01 -0.36 0.26 0.00 -1.51 0.00 0.00 72.50 70.87 1xs8 s THR 86 CO 0.02 0.16 0.90 -2.65 -2.21 0.00 0.00 174.62 170.83 1xs8 n PRO 87 N 3.83 -2.93 -2.72 7.08 -0.02 -1.26 -4.73 135.00 134.25 1xs8 n PRO 87 Ca -0.23 -1.44 -0.05 0.00 -2.02 0.00 0.00 63.50 59.75 1xs8 n PRO 87 Cb 0.52 -1.38 0.01 0.00 -0.02 0.00 0.00 33.50 32.63 1xs8 n PRO 87 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1xs8 n GLU 88 N -4.36 -1.88 -3.77 -0.52 -0.58 -1.26 -5.02 120.64 103.24 1xs8 n GLU 88 Ca 0.13 1.80 -0.35 0.00 -0.42 0.00 0.00 57.16 58.32 1xs8 n GLU 88 Cb 0.49 -5.18 -0.09 0.00 -0.57 0.00 0.00 31.44 26.09 1xs8 n GLU 88 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1xs8 s ASP 89 N -2.51 6.06 -0.00 1.62 1.01 -1.26 -5.09 116.67 116.48 1xs8 s ASP 89 Ca 0.17 0.17 -0.02 0.00 0.71 0.00 0.00 52.55 53.58 1xs8 s ASP 89 Cb -0.05 -2.06 -0.04 0.00 1.01 0.00 0.00 42.92 41.78 1xs8 s ASP 89 CO 0.67 0.15 0.15 -1.59 0.21 0.00 0.00 175.17 174.76 1xs8 s LYS 90 N 0.51 3.30 0.00 8.23 -2.85 -1.26 -5.30 119.74 122.37 1xs8 s LYS 90 Ca 0.07 -0.39 0.29 0.00 -1.00 0.00 0.00 55.97 54.94 1xs8 s LYS 90 Cb -0.12 -3.01 1.18 0.00 -2.06 0.00 0.00 37.83 33.82 1xs8 s LYS 90 CO -0.00 0.66 1.82 1.63 0.10 0.00 0.00 175.35 179.56