#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sg5 s SER 2 N 0.00 3.54 -0.15 3.17 0.01 -1.26 -5.01 113.70 114.00 1sg5 s SER 2 Ca 0.00 -0.42 0.16 0.00 1.31 0.00 0.00 55.95 57.00 1sg5 s SER 2 Cb 0.00 -1.31 0.43 0.00 0.21 0.00 0.00 66.02 65.36 1sg5 s SER 2 CO 0.00 0.20 1.19 1.15 0.41 0.00 0.00 173.24 176.19 1sg5 n MET 3 N 3.27 1.30 0.06 12.44 0.00 -1.26 -4.83 117.12 128.09 1sg5 n MET 3 Ca -0.18 -2.99 0.00 0.00 0.00 0.00 0.00 57.70 54.53 1sg5 n MET 3 Cb 0.53 -1.15 0.00 0.00 0.00 0.00 0.00 33.22 32.59 1sg5 n MET 3 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1sg5 n ASN 4 N -0.49 -0.60 -4.77 3.17 3.02 -1.26 -5.12 115.26 109.21 1sg5 n ASN 4 Ca 0.17 0.20 -0.34 0.00 -0.03 0.00 0.00 54.58 54.58 1sg5 n ASN 4 Cb 0.88 0.75 0.03 0.00 -0.61 0.00 0.00 39.78 40.84 1sg5 n ASN 4 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1sg5 s ASP 5 N -3.69 5.27 -0.30 6.41 1.11 -1.26 -4.97 116.67 119.23 1sg5 s ASP 5 Ca 0.00 2.10 0.10 0.00 0.18 0.00 0.00 52.55 54.93 1sg5 s ASP 5 Cb 0.00 -2.57 0.33 0.00 1.07 0.00 0.00 42.92 41.75 1sg5 s ASP 5 CO 0.00 -1.53 1.34 0.35 1.18 0.00 0.00 175.17 176.51 1sg5 n THR 6 N -2.02 0.00 -2.90 -1.27 -2.24 -1.26 -5.02 114.28 99.57 1sg5 n THR 6 Ca 0.11 -0.92 -0.43 0.00 -2.27 0.00 0.00 64.05 60.54 1sg5 n THR 6 Cb 0.51 0.91 -0.04 0.00 -2.10 0.00 0.00 70.33 69.61 1sg5 n THR 6 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1sg5 s TYR 7 N 0.12 2.75 -0.24 4.78 1.51 -1.26 -5.02 117.35 119.99 1sg5 s TYR 7 Ca 0.10 -0.48 -0.20 0.00 -1.01 0.00 0.00 57.07 55.48 1sg5 s TYR 7 Cb 0.36 -4.16 -0.02 0.00 -0.11 0.00 0.00 41.96 38.02 1sg5 s TYR 7 CO -0.10 -1.51 0.59 -0.65 -1.11 0.00 0.00 175.55 172.77 1sg5 s GLN 8 N 3.81 4.12 0.41 -0.62 1.11 -1.26 -4.96 119.66 122.28 1sg5 s GLN 8 Ca 0.22 0.49 0.11 0.00 0.01 0.00 0.00 55.36 56.20 1sg5 s GLN 8 Cb -0.17 -3.63 0.94 0.00 -1.01 0.00 0.00 33.01 29.14 1sg5 s GLN 8 CO 0.12 -0.35 1.98 -1.35 0.01 0.00 0.00 175.29 175.70 1sg5 h PRO 9 N 7.82 0.49 0.00 2.91 0.11 -1.91 -3.40 132.00 138.02 1sg5 h PRO 9 Ca -0.29 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1sg5 h PRO 9 Cb 1.13 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1sg5 h PRO 9 CO 0.76 0.33 0.00 -0.89 -0.21 0.00 0.00 178.00 177.98 1sg5 n ILE 10 N -4.48 0.00 -3.58 4.15 5.41 -1.26 -3.61 119.36 115.98 1sg5 n ILE 10 Ca 0.09 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.50 1sg5 n ILE 10 Cb 0.30 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.18 1sg5 n ILE 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1sg5 s ASN 11 N -0.13 6.62 0.56 4.38 6.03 -1.26 -3.74 114.94 127.40 1sg5 s ASN 11 Ca 0.00 0.77 -0.06 0.00 -1.03 0.00 0.00 52.86 52.54 1sg5 s ASN 11 Cb 0.00 -2.17 -0.01 0.00 -3.03 0.00 0.00 41.25 36.04 1sg5 s ASN 11 CO 0.00 0.16 0.88 0.00 -2.03 0.00 0.00 177.10 176.11 1sg5 h ASP 13 N -0.07 -0.80 0.00 0.00 5.19 -1.98 0.35 116.42 119.12 1sg5 h ASP 13 Ca -0.46 0.15 -0.04 0.00 -0.62 0.00 0.00 57.03 56.06 1sg5 h ASP 13 Cb 1.23 0.39 -0.01 0.00 0.18 0.00 0.00 39.33 41.12 1sg5 h ASP 13 CO 0.61 -0.27 -0.25 -2.24 -3.12 0.00 0.00 179.24 173.97 1sg5 h ASP 14 N -0.21 0.00 -0.20 6.45 2.03 -2.00 -3.26 116.42 119.22 1sg5 h ASP 14 Ca 0.16 -0.70 0.06 0.00 -0.73 0.00 0.00 57.03 55.82 1sg5 h ASP 14 Cb 0.47 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.96 1sg5 h ASP 14 CO -0.44 0.99 0.48 0.22 -1.03 0.00 0.00 179.24 179.46 1sg5 h TYR 15 N -1.00 0.00 0.09 4.15 3.20 -1.95 0.65 116.97 122.11 1sg5 h TYR 15 Ca -0.06 0.00 -0.26 0.00 3.14 0.00 0.00 58.73 61.55 1sg5 h TYR 15 Cb 0.86 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.14 1sg5 h TYR 15 CO 0.18 0.00 -1.14 0.22 -1.64 0.00 0.00 178.16 175.78 1sg5 h ASP 16 N 0.00 0.44 0.26 -2.11 1.82 -0.37 -1.87 116.42 114.59 1sg5 h ASP 16 Ca 0.10 -0.43 -0.34 0.00 -0.39 0.00 0.00 57.03 55.96 1sg5 h ASP 16 Cb 1.06 -0.14 0.03 0.00 0.68 0.00 0.00 39.33 40.96 1sg5 h ASP 16 CO -0.00 1.30 -1.54 0.78 -1.61 0.00 0.00 179.24 178.17 1sg5 h ASN 17 N 0.12 0.78 0.46 2.28 -0.26 0.20 -2.32 115.58 116.85 1sg5 h ASN 17 Ca -0.11 -0.90 -0.30 0.00 -0.56 0.00 0.00 56.30 54.42 1sg5 h ASN 17 Cb 1.84 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 38.82 1sg5 h ASN 17 CO 0.19 1.72 -1.59 0.25 -1.06 0.00 0.00 177.43 176.94 1sg5 h LEU 18 N 0.14 0.27 0.14 1.61 5.85 -1.34 -2.86 115.31 119.12 1sg5 h LEU 18 Ca -0.27 -0.43 -0.27 0.00 0.84 0.00 0.00 57.88 57.76 1sg5 h LEU 18 Cb 2.15 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 43.10 1sg5 h LEU 18 CO 0.25 1.36 -1.29 -0.33 -0.34 0.00 0.00 178.44 178.09 1sg5 h GLU 19 N 0.05 0.30 -0.14 1.25 4.39 -1.50 -1.78 114.58 117.14 1sg5 h GLU 19 Ca -0.26 -0.52 -0.19 0.00 0.34 0.00 0.00 59.36 58.74 1sg5 h GLU 19 Cb 2.00 0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 30.84 1sg5 h GLU 19 CO 0.13 1.25 -0.67 1.25 -1.16 0.00 0.00 179.01 179.81 1sg5 h LEU 20 N -0.24 0.67 0.00 1.33 7.12 -1.48 1.07 115.31 123.78 1sg5 h LEU 20 Ca -0.26 -0.41 -0.00 0.00 0.13 0.00 0.00 57.88 57.34 1sg5 h LEU 20 Cb 1.80 -0.20 -0.00 0.00 -0.53 0.00 0.00 40.66 41.73 1sg5 h LEU 20 CO 0.12 1.16 -0.02 0.00 -0.13 0.00 0.00 178.44 179.56 1sg5 h ALA 21 N 0.84 0.00 0.17 1.25 0.00 -1.61 -1.28 119.26 118.64 1sg5 h ALA 21 Ca -0.02 -0.12 -0.32 0.00 0.00 0.00 0.00 54.91 54.45 1sg5 h ALA 21 Cb 1.25 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.07 1sg5 h ALA 21 CO 0.13 0.02 -1.51 0.00 0.00 0.00 0.00 179.25 177.89 1sg5 h GLN 23 N 0.10 0.06 0.00 0.00 1.08 -0.34 -3.37 115.11 112.64 1sg5 h GLN 23 Ca -0.25 -0.10 -0.37 0.00 -1.45 0.00 0.00 58.65 56.48 1sg5 h GLN 23 Cb 2.07 0.04 -0.07 0.00 -0.05 0.00 0.00 27.48 29.47 1sg5 h GLN 23 CO 0.21 0.85 -2.37 0.72 -0.95 0.00 0.00 178.83 177.29 1sg5 n HIS 24 N -3.27 0.05 -3.00 2.96 8.25 0.34 -4.39 115.22 116.17 1sg5 n HIS 24 Ca -0.10 0.02 -0.22 0.00 -0.26 0.00 0.00 57.72 57.15 1sg5 n HIS 24 Cb 1.00 -1.01 0.03 0.00 1.12 0.00 0.00 29.99 31.14 1sg5 n HIS 24 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1sg5 n HIS 25 N -2.81 -1.92 0.00 4.41 -0.00 -0.04 -2.62 115.22 112.25 1sg5 n HIS 25 Ca -0.33 0.49 0.00 0.00 0.46 0.00 0.00 57.72 58.34 1sg5 n HIS 25 Cb 1.14 -4.43 0.00 0.00 -0.12 0.00 0.00 29.99 26.59 1sg5 n HIS 25 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1sg5 n LEU 26 N -3.97 0.00 -4.60 0.27 4.77 -1.09 -4.82 117.00 107.56 1sg5 n LEU 26 Ca -0.12 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.43 1sg5 n LEU 26 Cb 0.62 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.69 1sg5 n LEU 26 CO 0.47 0.00 1.10 -0.04 -1.33 0.00 0.00 177.39 177.59 1sg5 s MET 27 N 0.00 3.67 0.24 3.23 -1.94 -1.08 -3.98 119.30 119.45 1sg5 s MET 27 Ca 0.00 0.70 0.11 0.00 -1.71 0.00 0.00 55.69 54.79 1sg5 s MET 27 Cb 0.00 -3.95 -0.05 0.00 2.01 0.00 0.00 34.83 32.84 1sg5 s MET 27 CO 0.00 -1.45 -0.21 -0.48 -0.01 0.00 0.00 175.02 172.87 1sg5 s LEU 28 N 4.81 2.52 -0.34 -0.03 2.34 -1.04 -4.81 118.68 122.14 1sg5 s LEU 28 Ca 0.53 -0.96 -0.02 0.00 0.06 0.00 0.00 54.13 53.73 1sg5 s LEU 28 Cb -0.09 -1.09 0.07 0.00 -0.56 0.00 0.00 46.19 44.52 1sg5 s LEU 28 CO 0.32 0.05 0.07 -0.89 -1.06 0.00 0.00 176.35 174.85 1sg5 s THR 29 N -2.21 3.14 -0.02 5.48 2.01 -0.81 -0.39 115.64 122.84 1sg5 s THR 29 Ca 0.26 -1.58 -0.18 0.00 0.31 0.00 0.00 61.69 60.50 1sg5 s THR 29 Cb -0.06 -2.92 -0.05 0.00 0.01 0.00 0.00 72.50 69.48 1sg5 s THR 29 CO 0.12 -0.30 0.50 -0.22 -0.69 0.00 0.00 174.62 174.03 1sg5 s LEU 30 N 1.23 4.42 0.05 4.42 0.20 0.12 -0.01 118.68 129.10 1sg5 s LEU 30 Ca -0.00 1.03 0.04 0.00 0.69 0.00 0.00 54.13 55.89 1sg5 s LEU 30 Cb -0.21 -2.75 -0.02 0.00 -0.43 0.00 0.00 46.19 42.78 1sg5 s LEU 30 CO -0.02 0.18 -0.13 -1.83 -0.29 0.00 0.00 176.35 174.27 1sg5 s GLU 31 N -0.45 0.82 0.24 1.98 -1.05 0.47 -0.46 118.70 120.26 1sg5 s GLU 31 Ca 0.27 -0.78 0.09 0.00 -0.15 0.00 0.00 54.97 54.40 1sg5 s GLU 31 Cb -0.17 -0.80 -0.05 0.00 -0.44 0.00 0.00 34.13 32.67 1sg5 s GLU 31 CO 0.14 0.19 -0.16 -0.51 0.95 0.00 0.00 175.26 175.87 1sg5 s LEU 32 N -1.31 2.57 0.49 1.83 1.43 -0.93 -2.41 118.68 120.35 1sg5 s LEU 32 Ca -0.01 -1.04 0.37 0.00 -1.03 0.00 0.00 54.13 52.42 1sg5 s LEU 32 Cb -0.08 -0.85 1.53 0.00 0.03 0.00 0.00 46.19 46.82 1sg5 s LEU 32 CO 0.01 -0.10 1.63 0.11 0.23 0.00 0.00 176.35 178.24 1sg5 h LYS 33 N 2.42 0.05 -1.24 1.70 1.57 -1.95 0.99 116.57 120.11 1sg5 h LYS 33 Ca -0.39 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1sg5 h LYS 33 Cb 1.24 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1sg5 h LYS 33 CO 0.62 0.03 0.00 -0.25 -0.57 0.00 0.00 179.45 179.28 1sg5 n ASP 34 N -4.40 2.79 -2.28 0.86 9.92 -1.26 -4.74 116.55 117.44 1sg5 n ASP 34 Ca 0.38 -1.77 -0.13 0.00 -0.53 0.00 0.00 54.79 52.74 1sg5 n ASP 34 Cb 1.58 -0.49 -0.01 0.00 -0.64 0.00 0.00 41.12 41.56 1sg5 n ASP 34 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1sg5 n GLY 35 N 0.69 -0.24 3.78 0.44 0.00 0.33 -4.92 105.19 105.28 1sg5 n GLY 35 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1sg5 n GLY 35 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sg5 s GLU 36 N -4.74 3.36 -0.30 1.61 2.56 -0.76 -4.79 118.70 115.63 1sg5 s GLU 36 Ca 0.00 1.51 -0.06 0.00 0.00 0.00 0.00 54.97 56.42 1sg5 s GLU 36 Cb 0.00 -2.02 0.16 0.00 2.00 0.00 0.00 34.13 34.27 1sg5 s GLU 36 CO 0.00 -0.82 0.63 0.21 -0.56 0.00 0.00 175.26 174.72 1sg5 s LYS 37 N -3.43 0.57 -0.17 4.30 2.20 -1.18 -2.20 119.74 119.83 1sg5 s LYS 37 Ca 0.70 1.27 -0.11 0.00 -0.36 0.00 0.00 55.97 57.47 1sg5 s LYS 37 Cb -0.22 0.74 0.05 0.00 -1.51 0.00 0.00 37.83 36.90 1sg5 s LYS 37 CO 0.28 -0.38 0.43 -0.48 -0.36 0.00 0.00 175.35 174.84 1sg5 s LEU 38 N 2.88 0.01 0.18 5.43 -0.00 0.40 -4.92 118.68 122.66 1sg5 s LEU 38 Ca 0.05 0.91 -0.11 0.00 -0.00 0.00 0.00 54.13 54.99 1sg5 s LEU 38 Cb -0.13 1.43 -0.07 0.00 -0.00 0.00 0.00 46.19 47.42 1sg5 s LEU 38 CO -0.20 -0.18 0.52 -1.58 -0.00 0.00 0.00 176.35 174.91 1sg5 s GLN 39 N 1.05 3.84 -0.05 1.48 0.74 -1.24 0.14 119.66 125.61 1sg5 s GLN 39 Ca -0.07 0.30 0.00 0.00 0.05 0.00 0.00 55.36 55.65 1sg5 s GLN 39 Cb -0.07 -2.80 0.02 0.00 1.10 0.00 0.00 33.01 31.27 1sg5 s GLN 39 CO -0.09 0.41 -0.04 0.00 -0.55 0.00 0.00 175.29 175.02 1sg5 s ALA 40 N -1.64 0.73 0.24 1.58 0.00 0.47 -4.92 121.76 118.23 1sg5 s ALA 40 Ca 0.42 -0.11 -0.27 0.00 0.00 0.00 0.00 51.96 52.00 1sg5 s ALA 40 Cb -0.13 -0.53 -0.09 0.00 0.00 0.00 0.00 23.12 22.38 1sg5 s ALA 40 CO 0.20 -0.13 0.88 0.21 0.00 0.00 0.00 175.76 176.92 1sg5 s LYS 41 N 1.19 4.66 0.52 0.00 2.20 -1.26 -2.51 119.74 124.54 1sg5 s LYS 41 Ca -0.07 1.31 0.00 0.00 -0.36 0.00 0.00 55.97 56.86 1sg5 s LYS 41 Cb -0.14 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 1sg5 s LYS 41 CO -0.01 0.46 0.00 0.00 -0.36 0.00 0.00 175.35 175.43 1sg5 n ALA 42 N 1.19 -1.93 0.00 3.13 0.00 -1.26 -3.50 120.51 118.14 1sg5 n ALA 42 Ca -0.02 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1sg5 n ALA 42 Cb 0.49 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1sg5 n ALA 42 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1sg5 n SER 43 N -1.07 0.00 -3.69 0.00 3.41 -1.26 -2.78 113.62 108.22 1sg5 n SER 43 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1sg5 n SER 43 Cb 0.05 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.93 1sg5 n SER 43 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1sg5 s ASP 44 N 0.00 0.59 0.20 4.04 1.01 0.30 -4.83 116.67 117.99 1sg5 s ASP 44 Ca 0.00 -1.38 0.09 0.00 0.71 0.00 0.00 52.55 51.97 1sg5 s ASP 44 Cb 0.00 0.55 -0.04 0.00 1.01 0.00 0.00 42.92 44.44 1sg5 s ASP 44 CO 0.00 -1.10 -0.17 -0.22 0.21 0.00 0.00 175.17 173.89 1sg5 s LEU 45 N -3.19 2.51 -0.01 1.23 0.20 -1.26 -0.05 118.68 118.11 1sg5 s LEU 45 Ca 0.33 -0.95 0.03 0.00 0.69 0.00 0.00 54.13 54.23 1sg5 s LEU 45 Cb 0.02 -0.80 -0.00 0.00 -0.43 0.00 0.00 46.19 44.97 1sg5 s LEU 45 CO 0.17 -0.08 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.37 1sg5 s VAL 46 N -2.47 0.72 -0.09 1.68 1.01 0.54 -4.84 120.40 116.95 1sg5 s VAL 46 Ca 0.20 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 1sg5 s VAL 46 Cb -0.04 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 1sg5 s VAL 46 CO 0.08 0.21 0.08 -0.94 0.00 0.00 0.00 175.10 174.53 1sg5 s SER 47 N -0.11 5.84 0.09 3.32 1.04 -1.26 -0.35 113.70 122.26 1sg5 s SER 47 Ca 0.02 0.30 0.01 0.00 0.48 0.00 0.00 55.95 56.76 1sg5 s SER 47 Cb -0.05 -1.78 -0.04 0.00 0.10 0.00 0.00 66.02 64.26 1sg5 s SER 47 CO -0.00 0.37 0.19 -0.13 0.98 0.00 0.00 173.24 174.65 1sg5 s ARG 48 N -1.10 3.29 0.60 4.02 1.81 -0.87 -4.87 118.95 121.83 1sg5 s ARG 48 Ca 0.16 -0.54 0.28 0.00 -1.72 0.00 0.00 55.73 53.91 1sg5 s ARG 48 Cb -0.12 -2.94 1.39 0.00 -0.45 0.00 0.00 34.95 32.83 1sg5 s ARG 48 CO 0.05 0.58 1.80 0.87 -0.68 0.00 0.00 175.30 177.92 1sg5 h LYS 49 N 2.92 0.00 0.00 3.54 1.57 -2.03 -1.28 116.57 121.29 1sg5 h LYS 49 Ca -0.46 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 57.97 1sg5 h LYS 49 Cb 1.17 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.41 1sg5 h LYS 49 CO 0.72 0.00 -2.31 0.27 -0.57 0.00 0.00 179.45 177.56 1sg5 n ASN 50 N -3.54 1.17 0.00 0.86 6.94 -1.26 -5.07 115.26 114.36 1sg5 n ASN 50 Ca 0.09 -0.06 0.00 0.00 -0.02 0.00 0.00 54.58 54.60 1sg5 n ASN 50 Cb 0.78 0.37 0.00 0.00 -2.36 0.00 0.00 39.78 38.57 1sg5 n ASN 50 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1sg5 n VAL 51 N -2.91 0.00 0.00 3.53 0.24 -0.48 -5.04 118.33 113.67 1sg5 n VAL 51 Ca -0.36 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 1sg5 n VAL 51 Cb 1.04 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.41 1sg5 n VAL 51 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1sg5 n GLU 52 N 0.00 0.00 -4.26 7.34 0.28 -1.26 -2.05 120.64 120.69 1sg5 n GLU 52 Ca 0.00 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 56.84 1sg5 n GLU 52 Cb 0.00 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 32.77 1sg5 n GLU 52 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 1sg5 s TYR 53 N -1.05 1.36 0.04 -1.84 -0.85 0.52 -4.70 117.35 110.84 1sg5 s TYR 53 Ca 0.00 -0.65 -0.04 0.00 -0.52 0.00 0.00 57.07 55.86 1sg5 s TYR 53 Cb 0.00 -0.69 -0.04 0.00 0.38 0.00 0.00 41.96 41.60 1sg5 s TYR 53 CO 0.00 0.14 0.25 -1.17 -1.52 0.00 0.00 175.55 173.25 1sg5 s LEU 54 N -2.88 4.35 -0.14 -3.49 0.20 -1.06 -0.34 118.68 115.32 1sg5 s LEU 54 Ca 0.14 0.44 -0.01 0.00 0.69 0.00 0.00 54.13 55.39 1sg5 s LEU 54 Cb -0.01 -2.83 0.04 0.00 -0.43 0.00 0.00 46.19 42.96 1sg5 s LEU 54 CO 0.02 0.20 -0.03 -0.69 -0.29 0.00 0.00 176.35 175.56 1sg5 s VAL 55 N -1.42 0.87 -0.10 1.68 1.01 0.93 -1.89 120.40 121.48 1sg5 s VAL 55 Ca 0.31 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 1sg5 s VAL 55 Cb -0.13 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 1sg5 s VAL 55 CO 0.21 0.14 -0.02 0.68 0.00 0.00 0.00 175.10 176.12 1sg5 s VAL 56 N 1.74 4.14 -0.37 2.92 -7.23 -0.75 -0.53 120.40 120.32 1sg5 s VAL 56 Ca 0.02 -0.30 -0.05 0.00 -1.81 0.00 0.00 61.98 59.84 1sg5 s VAL 56 Cb -0.15 -2.75 0.07 0.00 0.56 0.00 0.00 36.38 34.11 1sg5 s VAL 56 CO -0.07 0.57 0.14 -1.61 -0.31 0.00 0.00 175.10 173.82 1sg5 s GLU 57 N -0.52 2.37 -0.80 4.82 2.02 -1.12 -0.36 118.70 125.12 1sg5 s GLU 57 Ca 0.09 -1.47 -0.25 0.00 0.02 0.00 0.00 54.97 53.36 1sg5 s GLU 57 Cb -0.12 -3.50 0.05 0.00 0.10 0.00 0.00 34.13 30.66 1sg5 s GLU 57 CO 0.02 -0.85 1.24 0.00 0.02 0.00 0.00 175.26 175.69 1sg5 s ALA 58 N 1.28 2.87 0.00 5.21 0.00 0.05 -4.20 121.76 126.97 1sg5 s ALA 58 Ca 0.02 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.21 1sg5 s ALA 58 Cb -0.21 -4.22 0.00 0.00 0.00 0.00 0.00 23.12 18.69 1sg5 s ALA 58 CO -0.01 -3.23 0.00 0.00 0.00 0.00 0.00 175.76 172.53 1sg5 n ALA 59 N 8.71 0.00 0.00 0.00 0.00 -1.26 -2.06 120.51 125.90 1sg5 n ALA 59 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1sg5 n ALA 59 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1sg5 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sg5 n GLY 60 N 0.00 0.00 3.84 0.00 0.00 -1.26 -5.11 105.19 102.66 1sg5 n GLY 60 Ca 0.00 -0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1sg5 n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sg5 s GLU 61 N -1.00 3.19 -0.04 1.61 8.01 -0.87 -5.05 118.70 124.54 1sg5 s GLU 61 Ca 0.00 0.87 0.06 0.00 0.01 0.00 0.00 54.97 55.90 1sg5 s GLU 61 Cb 0.00 -2.02 -0.01 0.00 -4.31 0.00 0.00 34.13 27.79 1sg5 s GLU 61 CO 0.00 -0.90 -0.21 -0.08 0.01 0.00 0.00 175.26 174.08 1sg5 s THR 62 N -3.10 1.72 0.15 3.63 -1.32 -1.26 -0.77 115.64 114.69 1sg5 s THR 62 Ca 0.57 -0.89 0.04 0.00 -1.21 0.00 0.00 61.69 60.19 1sg5 s THR 62 Cb -0.13 -1.46 -0.04 0.00 -1.51 0.00 0.00 72.50 69.36 1sg5 s THR 62 CO 0.55 0.49 -0.08 -0.13 -2.21 0.00 0.00 174.62 173.23 1sg5 s ARG 63 N -0.18 1.06 -0.30 7.08 1.81 0.52 -4.99 118.95 123.95 1sg5 s ARG 63 Ca -0.01 -1.46 0.03 0.00 -1.72 0.00 0.00 55.73 52.57 1sg5 s ARG 63 Cb -0.11 -0.54 0.08 0.00 -0.45 0.00 0.00 34.95 33.93 1sg5 s ARG 63 CO 0.02 0.03 -0.02 -2.00 -0.68 0.00 0.00 175.30 172.65 1sg5 s GLU 64 N -3.78 1.75 -0.06 3.54 2.56 -1.26 -1.81 118.70 119.64 1sg5 s GLU 64 Ca 0.18 -1.54 0.04 0.00 0.00 0.00 0.00 54.97 53.66 1sg5 s GLU 64 Cb 0.03 -2.95 -0.00 0.00 2.00 0.00 0.00 34.13 33.21 1sg5 s GLU 64 CO 0.01 -0.76 -0.19 -0.51 -0.56 0.00 0.00 175.26 173.24 1sg5 s LEU 65 N 1.07 1.94 0.00 2.70 1.43 -0.79 -4.64 118.68 120.39 1sg5 s LEU 65 Ca 0.01 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1sg5 s LEU 65 Cb -0.19 -1.10 0.00 0.00 0.03 0.00 0.00 46.19 44.93 1sg5 s LEU 65 CO -0.08 0.16 0.00 0.54 0.23 0.00 0.00 176.35 177.21 1sg5 n ARG 66 N 3.21 0.00 0.11 1.70 3.00 -1.26 -2.56 116.66 120.87 1sg5 n ARG 66 Ca -0.19 0.00 0.12 0.00 -0.01 0.00 0.00 57.85 57.78 1sg5 n ARG 66 Cb 0.53 0.00 0.46 0.00 0.00 0.00 0.00 32.46 33.44 1sg5 n ARG 66 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1sg5 n LEU 67 N 0.00 0.70 -0.58 0.55 0.00 -1.26 -2.54 117.00 113.86 1sg5 n LEU 67 Ca 0.00 0.62 0.05 0.00 0.00 0.00 0.00 56.01 56.69 1sg5 n LEU 67 Cb 0.00 -0.47 0.14 0.00 0.00 0.00 0.00 43.42 43.09 1sg5 n LEU 67 CO 0.00 -0.40 0.62 -0.67 0.00 0.00 0.00 177.39 176.94 1sg5 n ASP 68 N -2.22 2.90 -3.13 1.96 2.03 -1.26 -5.00 116.55 111.83 1sg5 n ASP 68 Ca 0.04 -2.11 -0.05 0.00 0.52 0.00 0.00 54.79 53.19 1sg5 n ASP 68 Cb 0.31 -0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 1sg5 n ASP 68 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1sg5 n LYS 69 N 0.27 -1.51 -2.37 -0.67 5.02 -1.05 -4.89 118.16 112.96 1sg5 n LYS 69 Ca 0.11 1.49 -0.42 0.00 -2.02 0.00 0.00 58.31 57.48 1sg5 n LYS 69 Cb 0.45 -5.24 -0.03 0.00 -0.02 0.00 0.00 35.03 30.19 1sg5 n LYS 69 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1sg5 s ILE 70 N -2.91 3.70 0.04 -0.18 1.10 -1.26 -4.70 121.20 116.99 1sg5 s ILE 70 Ca 0.04 1.34 -0.08 0.00 -0.51 0.00 0.00 60.65 61.44 1sg5 s ILE 70 Cb -0.01 -3.86 -0.02 0.00 0.15 0.00 0.00 42.46 38.73 1sg5 s ILE 70 CO 0.77 0.17 0.53 0.41 -2.11 0.00 0.00 174.94 174.72 1sg5 n THR 71 N 3.09 -0.17 -3.46 4.00 -1.04 -1.26 -2.51 114.28 112.94 1sg5 n THR 71 Ca 0.06 0.83 -0.10 0.00 -2.04 0.00 0.00 64.05 62.80 1sg5 n THR 71 Cb 0.45 -1.05 -0.02 0.00 -1.82 0.00 0.00 70.33 67.89 1sg5 n THR 71 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1sg5 s SER 72 N -4.36 -0.48 -0.05 8.00 1.04 -1.01 -1.54 113.70 115.30 1sg5 s SER 72 Ca -0.03 0.01 -0.01 0.00 0.48 0.00 0.00 55.95 56.40 1sg5 s SER 72 Cb 0.03 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.68 1sg5 s SER 72 CO 0.15 -0.81 0.01 0.72 0.98 0.00 0.00 173.24 174.30 1sg5 s PHE 73 N -3.45 0.42 0.14 5.02 -0.71 -0.42 -0.39 117.98 118.59 1sg5 s PHE 73 Ca 0.03 -0.01 0.05 0.00 -1.04 0.00 0.00 56.93 55.96 1sg5 s PHE 73 Cb -0.01 -0.61 -0.04 0.00 -1.21 0.00 0.00 43.02 41.15 1sg5 s PHE 73 CO -0.11 -0.23 0.07 0.45 -1.34 0.00 0.00 175.22 174.06 1sg5 s SER 74 N 1.72 5.25 -0.29 1.98 0.15 0.98 -2.11 113.70 121.39 1sg5 s SER 74 Ca 0.00 -0.18 -0.11 0.00 0.70 0.00 0.00 55.95 56.35 1sg5 s SER 74 Cb -0.13 -1.30 0.11 0.00 -1.71 0.00 0.00 66.02 63.00 1sg5 s SER 74 CO -0.03 0.11 0.65 -2.28 1.20 0.00 0.00 173.24 172.88 1sg5 s HIS 75 N -1.61 -1.24 -0.06 3.44 5.04 -0.79 -1.92 115.29 118.15 1sg5 s HIS 75 Ca 0.29 2.23 -0.27 0.00 -1.54 0.00 0.00 55.06 55.77 1sg5 s HIS 75 Cb -0.10 0.73 -0.32 0.00 0.04 0.00 0.00 32.58 32.93 1sg5 s HIS 75 CO 0.21 -0.62 1.55 -2.30 -2.34 0.00 0.00 174.74 171.24 1sg5 n PRO 76 N 5.13 0.11 0.00 2.88 -0.02 -1.26 -2.03 135.00 139.82 1sg5 n PRO 76 Ca -0.14 -1.00 0.00 0.00 -2.02 0.00 0.00 63.50 60.34 1sg5 n PRO 76 Cb 0.52 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1sg5 n PRO 76 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1sg5 n GLU 77 N 7.57 0.00 -0.13 -0.52 2.13 -1.26 -5.00 120.64 123.43 1sg5 n GLU 77 Ca 0.42 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 58.00 1sg5 n GLU 77 Cb 0.37 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.97 1sg5 n GLU 77 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1sg5 n ILE 78 N 0.00 1.52 0.00 6.31 5.41 -0.86 -5.07 119.36 126.67 1sg5 n ILE 78 Ca 0.00 -0.47 0.00 0.00 1.00 0.00 0.00 62.75 63.28 1sg5 n ILE 78 Cb 0.00 -1.66 0.00 0.00 -0.71 0.00 0.00 39.64 37.27 1sg5 n ILE 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1sg5 n GLY 79 N 1.76 0.66 3.13 7.39 0.00 -0.99 -5.01 105.19 112.14 1sg5 n GLY 79 Ca -0.49 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.28 1sg5 n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sg5 s THR 80 N -2.06 2.13 -0.15 2.61 2.01 -1.26 -1.89 115.64 117.03 1sg5 s THR 80 Ca 0.00 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 61.08 1sg5 s THR 80 Cb 0.00 -1.89 -0.01 0.00 0.01 0.00 0.00 72.50 70.61 1sg5 s THR 80 CO 0.00 0.53 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.63 1sg5 s VAL 81 N 1.27 2.79 -0.13 3.82 1.01 -0.90 -4.88 120.40 123.39 1sg5 s VAL 81 Ca 0.04 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 1sg5 s VAL 81 Cb -0.13 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1sg5 s VAL 81 CO -0.12 0.51 0.06 -0.69 0.00 0.00 0.00 175.10 174.86 1sg5 s VAL 82 N 0.72 4.77 0.00 2.92 1.01 -1.23 -1.29 120.40 127.30 1sg5 s VAL 82 Ca -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1sg5 s VAL 82 Cb -0.15 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1sg5 s VAL 82 CO 0.01 0.56 0.00 0.55 0.00 0.00 0.00 175.10 176.22 1sg5 n VAL 83 N 2.59 0.00 -3.05 2.92 3.14 -0.59 0.11 118.33 123.44 1sg5 n VAL 83 Ca -0.18 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.16 1sg5 n VAL 83 Cb 0.53 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 33.33 1sg5 n VAL 83 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1sg5 n SER 84 N 0.50 -7.29 -4.67 6.55 3.41 -1.24 -4.72 113.62 106.17 1sg5 n SER 84 Ca 0.00 -0.24 -0.44 0.00 -0.26 0.00 0.00 58.87 57.94 1sg5 n SER 84 Cb 0.00 -5.13 -0.02 0.00 -0.26 0.00 0.00 64.21 58.81 1sg5 n SER 84 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1sg5 n GLU 85 N -2.13 1.94 -0.51 4.33 2.13 0.29 -4.92 120.64 121.77 1sg5 n GLU 85 Ca -0.02 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.49 1sg5 n GLU 85 Cb 0.53 -2.26 0.00 0.00 0.27 0.00 0.00 31.44 29.98 1sg5 n GLU 85 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15