#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 2.60 0.00 7.83 1.04 -1.26 -5.00 113.70 118.92 1sg5 s SER 2 Ca 0.00 -0.75 -0.01 0.00 0.48 0.00 0.00 55.95 55.68 1sg5 s SER 2 Cb 0.00 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1sg5 s SER 2 CO 0.00 0.03 0.02 0.23 0.98 0.00 0.00 173.24 174.50 1sg5 n MET 3 N 0.82 -4.96 0.28 4.02 2.00 -1.26 -4.93 117.12 113.09 1sg5 n MET 3 Ca -0.17 3.63 -0.11 0.00 0.00 0.00 0.00 57.70 61.05 1sg5 n MET 3 Cb 0.55 -4.59 -0.05 0.00 0.00 0.00 0.00 33.22 29.12 1sg5 n MET 3 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 175.97 175.00 1sg5 h ASN 4 N 4.08 -0.60 -2.65 7.83 -0.73 -1.94 -3.44 115.58 118.12 1sg5 h ASN 4 Ca -0.04 0.02 -0.20 0.00 1.87 0.00 0.00 56.30 57.95 1sg5 h ASN 4 Cb 0.09 0.16 0.09 0.00 0.27 0.00 0.00 38.32 38.93 1sg5 h ASN 4 CO 0.00 -0.43 0.13 0.47 -0.37 0.00 0.00 177.43 177.24 1sg5 n ASP 5 N -3.95 -0.74 -0.78 1.15 8.00 -1.26 -5.03 116.55 113.93 1sg5 n ASP 5 Ca -0.09 -1.03 -0.01 0.00 0.71 0.00 0.00 54.79 54.37 1sg5 n ASP 5 Cb 0.28 -0.49 -0.02 0.00 -0.02 0.00 0.00 41.12 40.87 1sg5 n ASP 5 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1sg5 n THR 6 N -3.27 0.00 -3.15 -3.53 -2.24 -1.26 -5.10 114.28 95.73 1sg5 n THR 6 Ca 0.08 -0.15 -0.39 0.00 -2.27 0.00 0.00 64.05 61.31 1sg5 n THR 6 Cb 0.28 0.39 -0.05 0.00 -2.10 0.00 0.00 70.33 68.85 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 0.00 3.51 -0.40 4.78 1.51 -1.26 -5.04 117.35 120.45 1sg5 s TYR 7 Ca 0.05 1.06 -0.02 0.00 -1.01 0.00 0.00 57.07 57.15 1sg5 s TYR 7 Cb 0.06 -2.73 0.11 0.00 -0.11 0.00 0.00 41.96 39.29 1sg5 s TYR 7 CO -0.03 0.05 0.17 -1.14 -1.11 0.00 0.00 175.55 173.49 1sg5 s GLN 8 N 1.03 1.92 0.52 -0.62 -0.44 -1.26 -4.66 119.66 116.14 1sg5 s GLN 8 Ca 0.32 -1.82 0.21 0.00 -2.50 0.00 0.00 55.36 51.56 1sg5 s GLN 8 Cb -0.16 -3.51 1.33 0.00 -1.64 0.00 0.00 33.01 29.02 1sg5 s GLN 8 CO 0.14 -1.04 2.07 -1.35 0.50 0.00 0.00 175.29 175.60 1sg5 h PRO 9 N 7.97 0.01 0.00 1.67 0.11 -1.86 -3.40 132.00 136.50 1sg5 h PRO 9 Ca -0.12 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1sg5 h PRO 9 Cb 1.04 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1sg5 h PRO 9 CO 0.67 0.01 0.00 -0.89 -0.21 0.00 0.00 178.00 177.57 1sg5 n ILE 10 N -4.45 0.00 -1.79 4.15 5.41 -1.22 -3.48 119.36 117.97 1sg5 n ILE 10 Ca 0.04 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.37 1sg5 n ILE 10 Cb 0.37 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.27 1sg5 n ILE 10 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 1sg5 s ASN 11 N -1.20 6.49 0.00 4.38 -0.87 -1.26 -4.86 114.94 117.62 1sg5 s ASN 11 Ca 0.00 2.65 0.00 0.00 -1.57 0.00 0.00 52.86 53.94 1sg5 s ASN 11 Cb 0.00 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.67 1sg5 s ASN 11 CO 0.00 -0.96 0.00 0.00 -2.57 0.00 0.00 177.10 173.57 1sg5 n ASP 13 N -0.69 -1.61 0.08 0.00 8.00 -1.26 -4.91 116.55 116.16 1sg5 n ASP 13 Ca 0.00 -0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1sg5 n ASP 13 Cb 0.00 -0.08 -0.04 0.00 -0.02 0.00 0.00 41.12 40.98 1sg5 n ASP 13 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 1sg5 h ASP 14 N -1.84 0.00 -0.12 -2.24 3.04 -2.02 -3.33 116.42 109.91 1sg5 h ASP 14 Ca -0.03 0.00 0.03 0.00 -3.24 0.00 0.00 57.03 53.80 1sg5 h ASP 14 Cb 0.09 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.37 1sg5 h ASP 14 CO 0.02 0.60 0.51 1.88 -2.04 0.00 0.00 179.24 180.21 1sg5 h TYR 15 N 0.00 0.00 0.09 4.15 0.05 -1.96 -0.08 116.97 119.21 1sg5 h TYR 15 Ca -0.08 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.70 1sg5 h TYR 15 Cb 1.53 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.27 1sg5 h TYR 15 CO 0.00 0.00 -0.04 0.22 -1.05 0.00 0.00 178.16 177.29 1sg5 h ASP 16 N 0.00 -0.10 0.98 3.88 3.58 -1.92 0.23 116.42 123.06 1sg5 h ASP 16 Ca 0.06 -0.22 -0.21 0.00 0.42 0.00 0.00 57.03 57.07 1sg5 h ASP 16 Cb 1.07 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 42.11 1sg5 h ASP 16 CO -0.00 0.17 -1.05 0.78 -2.88 0.00 0.00 179.24 176.26 1sg5 h ASN 17 N -0.38 0.00 0.13 2.28 2.35 -1.33 -2.37 115.58 116.27 1sg5 h ASN 17 Ca -0.01 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.43 1sg5 h ASN 17 Cb 0.32 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 1sg5 h ASN 17 CO 0.02 0.96 -1.56 0.25 -1.65 0.00 0.00 177.43 175.44 1sg5 h LEU 18 N 0.00 0.42 0.13 1.61 7.12 -1.35 -2.90 115.31 120.34 1sg5 h LEU 18 Ca -0.04 -0.87 -0.28 0.00 0.13 0.00 0.00 57.88 56.82 1sg5 h LEU 18 Cb 1.77 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 41.76 1sg5 h LEU 18 CO 0.12 1.69 -1.28 -0.33 -0.13 0.00 0.00 178.44 178.50 1sg5 h GLU 19 N -0.19 0.27 -0.12 1.25 4.39 -0.70 0.78 114.58 120.26 1sg5 h GLU 19 Ca -0.33 -0.46 -0.20 0.00 0.34 0.00 0.00 59.36 58.71 1sg5 h GLU 19 Cb 1.85 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 30.68 1sg5 h GLU 19 CO 0.08 1.20 -0.73 1.25 -1.16 0.00 0.00 179.01 179.66 1sg5 h LEU 20 N 0.07 0.65 0.00 1.33 7.12 -1.35 0.52 115.31 123.66 1sg5 h LEU 20 Ca -0.15 -0.42 -0.00 0.00 0.13 0.00 0.00 57.88 57.44 1sg5 h LEU 20 Cb 1.98 -0.19 -0.00 0.00 -0.53 0.00 0.00 40.66 41.92 1sg5 h LEU 20 CO 0.20 1.18 -0.03 0.00 -0.13 0.00 0.00 178.44 179.66 1sg5 h ALA 21 N 0.81 0.00 0.20 1.25 0.00 -1.59 -1.51 119.26 118.43 1sg5 h ALA 21 Ca -0.03 -0.13 -0.33 0.00 0.00 0.00 0.00 54.91 54.41 1sg5 h ALA 21 Cb 1.32 0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.15 1sg5 h ALA 21 CO 0.14 0.02 -1.55 0.00 0.00 0.00 0.00 179.25 177.86 1sg5 h GLN 23 N 0.12 0.00 0.00 0.00 4.20 -0.44 -3.37 115.11 115.61 1sg5 h GLN 23 Ca -0.27 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.36 1sg5 h GLN 23 Cb 2.11 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.87 1sg5 h GLN 23 CO 0.22 0.00 -1.31 1.58 -0.67 0.00 0.00 178.83 178.65 1sg5 n HIS 24 N -2.80 0.00 -2.34 2.96 -0.00 0.15 -4.78 115.22 108.40 1sg5 n HIS 24 Ca 0.03 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.12 1sg5 n HIS 24 Cb 0.52 -0.22 0.00 0.00 -0.12 0.00 0.00 29.99 30.18 1sg5 n HIS 24 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1sg5 n HIS 25 N -2.19 -0.56 0.00 1.57 8.25 0.49 -3.11 115.22 119.67 1sg5 n HIS 25 Ca -0.07 0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1sg5 n HIS 25 Cb 0.65 -2.24 0.00 0.00 1.12 0.00 0.00 29.99 29.52 1sg5 n HIS 25 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1sg5 n LEU 26 N -1.42 0.00 -4.60 2.41 4.77 -0.69 -4.57 117.00 112.91 1sg5 n LEU 26 Ca -0.07 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.48 1sg5 n LEU 26 Cb 0.56 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.63 1sg5 n LEU 26 CO 0.14 0.00 1.11 -0.04 -1.33 0.00 0.00 177.39 177.28 1sg5 s MET 27 N -0.04 3.62 0.23 3.23 -1.94 -1.18 -3.89 119.30 119.33 1sg5 s MET 27 Ca 0.00 0.63 0.10 0.00 -1.71 0.00 0.00 55.69 54.72 1sg5 s MET 27 Cb 0.00 -3.97 -0.04 0.00 2.01 0.00 0.00 34.83 32.82 1sg5 s MET 27 CO 0.00 -1.52 -0.13 -0.48 -0.01 0.00 0.00 175.02 172.88 1sg5 s LEU 28 N 4.93 2.80 -0.34 -0.03 2.34 -1.03 -4.80 118.68 122.56 1sg5 s LEU 28 Ca 0.52 -0.78 -0.02 0.00 0.06 0.00 0.00 54.13 53.91 1sg5 s LEU 28 Cb -0.09 -1.42 0.07 0.00 -0.56 0.00 0.00 46.19 44.19 1sg5 s LEU 28 CO 0.31 0.07 0.07 -0.89 -1.06 0.00 0.00 176.35 174.85 1sg5 s THR 29 N -2.05 3.10 -0.09 5.48 2.01 -0.99 -0.85 115.64 122.25 1sg5 s THR 29 Ca 0.27 -1.61 -0.12 0.00 0.31 0.00 0.00 61.69 60.54 1sg5 s THR 29 Cb -0.07 -2.90 -0.05 0.00 0.01 0.00 0.00 72.50 69.49 1sg5 s THR 29 CO 0.15 -0.31 0.30 -0.22 -0.69 0.00 0.00 174.62 173.85 1sg5 s LEU 30 N 1.21 4.37 0.07 4.42 0.20 0.98 -0.28 118.68 129.65 1sg5 s LEU 30 Ca -0.00 0.67 0.05 0.00 0.69 0.00 0.00 54.13 55.53 1sg5 s LEU 30 Cb -0.21 -2.37 -0.03 0.00 -0.43 0.00 0.00 46.19 43.15 1sg5 s LEU 30 CO -0.02 0.26 -0.13 -1.83 -0.29 0.00 0.00 176.35 174.34 1sg5 s GLU 31 N -0.50 0.78 0.23 1.98 -1.05 0.44 -0.41 118.70 120.17 1sg5 s GLU 31 Ca 0.19 -0.93 0.09 0.00 -0.15 0.00 0.00 54.97 54.17 1sg5 s GLU 31 Cb -0.14 -0.75 -0.05 0.00 -0.44 0.00 0.00 34.13 32.75 1sg5 s GLU 31 CO 0.07 0.16 -0.16 -0.51 0.95 0.00 0.00 175.26 175.78 1sg5 s LEU 32 N -1.73 2.57 0.45 1.83 1.43 -0.89 -2.36 118.68 119.97 1sg5 s LEU 32 Ca -0.03 -1.03 0.32 0.00 -1.03 0.00 0.00 54.13 52.36 1sg5 s LEU 32 Cb -0.10 -0.80 1.47 0.00 0.03 0.00 0.00 46.19 46.79 1sg5 s LEU 32 CO 0.02 -0.12 1.61 0.11 0.23 0.00 0.00 176.35 178.20 1sg5 h LYS 33 N 2.45 0.05 -1.28 1.70 1.79 -1.94 0.87 116.57 120.21 1sg5 h LYS 33 Ca -0.39 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 1sg5 h LYS 33 Cb 1.23 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1sg5 h LYS 33 CO 0.62 0.03 0.00 -0.25 -1.08 0.00 0.00 179.45 178.77 1sg5 n ASP 34 N -4.65 2.50 -2.24 0.86 8.00 -1.26 -4.73 116.55 115.03 1sg5 n ASP 34 Ca 0.39 -1.61 -0.13 0.00 0.71 0.00 0.00 54.79 54.14 1sg5 n ASP 34 Cb 1.52 -0.43 -0.02 0.00 -0.02 0.00 0.00 41.12 42.17 1sg5 n ASP 34 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sg5 n GLY 35 N 0.69 -0.16 3.79 0.44 0.00 0.29 -4.92 105.19 105.32 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 -0.54 0.00 0.00 0.00 173.32 172.78 1sg5 s GLU 36 N -4.67 3.51 -0.28 1.61 0.41 -0.85 -4.80 118.70 113.63 1sg5 s GLU 36 Ca 0.00 1.41 -0.10 0.00 -0.41 0.00 0.00 54.97 55.87 1sg5 s GLU 36 Cb 0.00 -2.05 0.12 0.00 -1.78 0.00 0.00 34.13 30.42 1sg5 s GLU 36 CO 0.00 -0.68 0.61 0.21 -0.49 0.00 0.00 175.26 174.91 1sg5 s LYS 37 N -3.45 0.54 -0.18 1.61 2.20 -1.21 -2.10 119.74 117.14 1sg5 s LYS 37 Ca 0.68 1.36 -0.13 0.00 -0.36 0.00 0.00 55.97 57.52 1sg5 s LYS 37 Cb -0.19 0.73 0.05 0.00 -1.51 0.00 0.00 37.83 36.91 1sg5 s LYS 37 CO 0.26 -0.21 0.45 -0.48 -0.36 0.00 0.00 175.35 175.02 1sg5 s LEU 38 N 2.75 0.06 0.03 5.43 -0.00 0.45 -4.93 118.68 122.48 1sg5 s LEU 38 Ca -0.06 0.94 -0.08 0.00 -0.00 0.00 0.00 54.13 54.94 1sg5 s LEU 38 Cb -0.12 1.53 -0.05 0.00 -0.00 0.00 0.00 46.19 47.55 1sg5 s LEU 38 CO -0.18 -0.18 0.32 -1.58 -0.00 0.00 0.00 176.35 174.74 1sg5 s GLN 39 N 0.76 3.66 -0.06 1.48 -0.44 -1.24 -0.01 119.66 123.81 1sg5 s GLN 39 Ca -0.04 0.04 0.01 0.00 -2.50 0.00 0.00 55.36 52.87 1sg5 s GLN 39 Cb -0.05 -3.06 0.02 0.00 -1.64 0.00 0.00 33.01 28.28 1sg5 s GLN 39 CO -0.06 0.62 -0.07 0.00 0.50 0.00 0.00 175.29 176.29 1sg5 s ALA 40 N -1.32 0.94 0.28 1.58 0.00 -0.03 -4.92 121.76 118.29 1sg5 s ALA 40 Ca 0.29 -0.24 -0.29 0.00 0.00 0.00 0.00 51.96 51.73 1sg5 s ALA 40 Cb -0.14 -0.57 -0.09 0.00 0.00 0.00 0.00 23.12 22.32 1sg5 s ALA 40 CO 0.16 -0.09 0.97 0.21 0.00 0.00 0.00 175.76 177.01 1sg5 s LYS 41 N 1.08 4.72 0.43 0.00 2.36 -1.26 -2.46 119.74 124.61 1sg5 s LYS 41 Ca -0.08 1.48 0.00 0.00 -2.55 0.00 0.00 55.97 54.83 1sg5 s LYS 41 Cb -0.14 -3.10 0.00 0.00 -1.05 0.00 0.00 37.83 33.54 1sg5 s LYS 41 CO -0.01 0.38 0.00 0.00 1.55 0.00 0.00 175.35 177.28 1sg5 n ALA 42 N 1.12 -1.79 0.00 3.13 0.00 -1.25 -4.41 120.51 117.31 1sg5 n ALA 42 Ca -0.00 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1sg5 n ALA 42 Cb 0.48 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.32 0.00 -3.63 0.00 3.41 -1.26 -3.34 113.62 107.48 1sg5 n SER 43 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.47 1sg5 n SER 43 Cb 0.10 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.99 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 0.78 0.20 4.04 1.01 -0.24 -4.83 116.67 117.63 1sg5 s ASP 44 Ca 0.00 -1.46 0.09 0.00 0.71 0.00 0.00 52.55 51.90 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 -1.09 -0.19 -0.22 0.21 0.00 0.00 175.17 173.88 1sg5 s LEU 45 N -3.22 2.49 -0.03 1.23 0.20 -1.26 -0.12 118.68 117.97 1sg5 s LEU 45 Ca 0.34 -0.93 0.01 0.00 0.69 0.00 0.00 54.13 54.24 1sg5 s LEU 45 Cb 0.02 -0.90 0.02 0.00 -0.43 0.00 0.00 46.19 44.90 1sg5 s LEU 45 CO 0.18 -0.02 -0.02 -0.69 -0.29 0.00 0.00 176.35 175.51 1sg5 s VAL 46 N -2.28 0.33 -0.30 1.68 1.01 0.89 -4.78 120.40 116.94 1sg5 s VAL 46 Ca 0.21 -0.02 -0.09 0.00 0.00 0.00 0.00 61.98 62.07 1sg5 s VAL 46 Cb -0.05 -0.38 -0.01 0.00 0.00 0.00 0.00 36.38 35.94 1sg5 s VAL 46 CO 0.09 0.17 0.14 -0.94 0.00 0.00 0.00 175.10 174.56 1sg5 s SER 47 N 0.84 5.51 0.52 3.32 1.04 -1.26 -0.92 113.70 122.75 1sg5 s SER 47 Ca -0.10 -0.49 -0.19 0.00 0.48 0.00 0.00 55.95 55.66 1sg5 s SER 47 Cb -0.13 -1.99 -0.07 0.00 0.10 0.00 0.00 66.02 63.93 1sg5 s SER 47 CO -0.01 -0.17 1.06 -0.13 0.98 0.00 0.00 173.24 174.96 1sg5 s ARG 48 N 1.61 3.61 0.60 4.02 1.81 0.92 -4.90 118.95 126.62 1sg5 s ARG 48 Ca 0.05 1.36 0.28 0.00 -1.72 0.00 0.00 55.73 55.70 1sg5 s ARG 48 Cb -0.17 -2.06 1.45 0.00 -0.45 0.00 0.00 34.95 33.72 1sg5 s ARG 48 CO 0.06 -0.59 1.86 -0.22 -0.68 0.00 0.00 175.30 175.72 1sg5 h LYS 49 N 1.21 0.00 0.00 3.54 3.64 -2.04 -2.11 116.57 120.81 1sg5 h LYS 49 Ca -0.49 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 58.55 1sg5 h LYS 49 Cb 1.23 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.98 1sg5 h LYS 49 CO 0.58 0.00 -2.30 -1.71 -2.27 0.00 0.00 179.45 173.75 1sg5 n ASN 50 N -3.55 1.40 -0.12 4.20 2.85 -1.26 -4.96 115.26 113.82 1sg5 n ASN 50 Ca 0.07 -0.07 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1sg5 n ASN 50 Cb 0.67 0.23 0.00 0.00 1.24 0.00 0.00 39.78 41.92 1sg5 n ASN 50 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1sg5 n VAL 51 N -2.96 0.00 -3.69 3.44 0.24 -0.79 -4.79 118.33 109.77 1sg5 n VAL 51 Ca -0.36 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 61.74 1sg5 n VAL 51 Cb 1.01 0.00 -0.18 0.00 -1.47 0.00 0.00 33.84 33.21 1sg5 n VAL 51 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1sg5 s GLU 52 N 0.65 -0.04 0.15 7.34 1.03 -1.26 -0.06 118.70 126.51 1sg5 s GLU 52 Ca 0.00 0.33 0.06 0.00 0.03 0.00 0.00 54.97 55.39 1sg5 s GLU 52 Cb 0.00 -0.49 -0.04 0.00 -0.80 0.00 0.00 34.13 32.80 1sg5 s GLU 52 CO 0.00 -0.30 -0.13 1.52 -1.33 0.00 0.00 175.26 175.02 1sg5 s TYR 53 N 1.97 1.40 0.02 4.83 1.13 -0.10 -4.43 117.35 122.17 1sg5 s TYR 53 Ca 0.03 -0.64 -0.03 0.00 -1.41 0.00 0.00 57.07 55.02 1sg5 s TYR 53 Cb -0.12 -0.71 -0.04 0.00 -1.10 0.00 0.00 41.96 39.99 1sg5 s TYR 53 CO -0.03 0.16 0.22 -1.17 -2.51 0.00 0.00 175.55 172.22 1sg5 s LEU 54 N -2.89 4.36 -0.19 -3.49 0.20 -1.18 -0.08 118.68 115.42 1sg5 s LEU 54 Ca 0.14 0.40 -0.00 0.00 0.69 0.00 0.00 54.13 55.36 1sg5 s LEU 54 Cb -0.01 -2.75 0.05 0.00 -0.43 0.00 0.00 46.19 43.05 1sg5 s LEU 54 CO 0.03 0.23 -0.04 -0.69 -0.29 0.00 0.00 176.35 175.58 1sg5 s VAL 55 N -1.38 1.15 -0.08 1.68 1.01 0.84 -1.27 120.40 122.35 1sg5 s VAL 55 Ca 0.30 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 1sg5 s VAL 55 Cb -0.13 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 1sg5 s VAL 55 CO 0.20 0.02 -0.02 0.68 0.00 0.00 0.00 175.10 175.98 1sg5 s VAL 56 N 1.60 4.12 -0.30 2.92 -7.23 -0.02 -1.08 120.40 120.41 1sg5 s VAL 56 Ca -0.01 -0.32 -0.23 0.00 -1.81 0.00 0.00 61.98 59.61 1sg5 s VAL 56 Cb -0.16 -2.72 -0.00 0.00 0.56 0.00 0.00 36.38 34.05 1sg5 s VAL 56 CO -0.07 0.60 0.74 -0.70 -0.31 0.00 0.00 175.10 175.36 1sg5 s GLU 57 N -0.85 3.96 -0.84 4.82 2.12 -1.21 -0.31 118.70 126.39 1sg5 s GLU 57 Ca 0.13 0.53 -0.16 0.00 0.36 0.00 0.00 54.97 55.82 1sg5 s GLU 57 Cb -0.11 -3.72 0.18 0.00 0.26 0.00 0.00 34.13 30.74 1sg5 s GLU 57 CO 0.02 -0.64 0.87 0.00 -0.54 0.00 0.00 175.26 174.97 1sg5 s ALA 58 N 2.85 3.80 0.00 6.30 0.00 -0.20 -4.44 121.76 130.06 1sg5 s ALA 58 Ca 0.30 -3.05 0.00 0.00 0.00 0.00 0.00 51.96 49.22 1sg5 s ALA 58 Cb -0.14 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.29 1sg5 s ALA 58 CO 0.12 -2.50 0.00 0.00 0.00 0.00 0.00 175.76 173.38 1sg5 n ALA 59 N 4.99 0.00 -1.96 0.00 0.00 -1.26 -1.11 120.51 121.17 1sg5 n ALA 59 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.61 1sg5 n ALA 59 Cb 0.47 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.95 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 1.28 2.79 0.00 0.00 -1.26 -5.04 105.19 102.96 1sg5 n GLY 60 Ca 0.00 -0.34 -0.18 0.00 0.00 0.00 0.00 46.02 45.51 1sg5 n GLY 60 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sg5 s GLU 61 N -0.46 0.00 0.43 1.61 1.03 -0.27 -5.14 118.70 115.91 1sg5 s GLU 61 Ca 0.11 0.51 -0.26 0.00 0.03 0.00 0.00 54.97 55.37 1sg5 s GLU 61 Cb 0.12 -0.33 -0.08 0.00 -0.80 0.00 0.00 34.13 33.03 1sg5 s GLU 61 CO -0.03 -0.31 1.37 0.95 -1.33 0.00 0.00 175.26 175.91 1sg5 s THR 62 N 2.22 2.32 0.12 1.83 -4.23 -1.26 -1.04 115.64 115.60 1sg5 s THR 62 Ca 0.03 0.29 0.02 0.00 -1.18 0.00 0.00 61.69 60.85 1sg5 s THR 62 Cb -0.12 -3.17 -0.04 0.00 1.34 0.00 0.00 72.50 70.51 1sg5 s THR 62 CO -0.05 0.04 -0.05 -0.13 -0.54 0.00 0.00 174.62 173.89 1sg5 s ARG 63 N -2.37 0.90 -0.29 3.99 0.52 0.58 -4.84 118.95 117.44 1sg5 s ARG 63 Ca 0.59 -1.39 0.02 0.00 -0.52 0.00 0.00 55.73 54.44 1sg5 s ARG 63 Cb -0.41 -0.22 0.08 0.00 0.52 0.00 0.00 34.95 34.92 1sg5 s ARG 63 CO 0.53 -0.05 -0.00 -1.83 0.02 0.00 0.00 175.30 173.97 1sg5 s GLU 64 N -3.85 1.51 -0.22 3.54 1.03 -1.26 -0.84 118.70 118.60 1sg5 s GLU 64 Ca 0.15 -1.37 -0.04 0.00 0.03 0.00 0.00 54.97 53.74 1sg5 s GLU 64 Cb 0.05 -2.75 -0.01 0.00 -0.80 0.00 0.00 34.13 30.62 1sg5 s GLU 64 CO -0.03 -0.78 -0.03 -0.51 -1.33 0.00 0.00 175.26 172.59 1sg5 s LEU 65 N 1.21 2.97 0.00 1.83 1.02 -0.40 -4.35 118.68 120.96 1sg5 s LEU 65 Ca 0.02 -0.36 0.00 0.00 0.02 0.00 0.00 54.13 53.81 1sg5 s LEU 65 Cb -0.19 -1.76 0.00 0.00 0.02 0.00 0.00 46.19 44.26 1sg5 s LEU 65 CO -0.10 -0.02 0.00 0.54 0.02 0.00 0.00 176.35 176.79 1sg5 n ARG 66 N 4.79 0.00 0.09 1.70 1.74 -1.26 -3.11 116.66 120.62 1sg5 n ARG 66 Ca -0.18 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.03 1sg5 n ARG 66 Cb 0.51 0.00 0.43 0.00 -1.02 0.00 0.00 32.46 32.38 1sg5 n ARG 66 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1sg5 n LEU 67 N 0.00 0.71 -0.69 0.55 7.94 -1.26 -3.10 117.00 121.15 1sg5 n LEU 67 Ca 0.00 0.57 0.06 0.00 -1.11 0.00 0.00 56.01 55.53 1sg5 n LEU 67 Cb 0.00 -0.34 0.17 0.00 0.53 0.00 0.00 43.42 43.78 1sg5 n LEU 67 CO 0.00 -0.16 0.64 0.47 -1.11 0.00 0.00 177.39 177.24 1sg5 n ASP 68 N -2.17 3.08 -3.06 1.96 9.92 -1.26 -5.00 116.55 120.02 1sg5 n ASP 68 Ca 0.06 -2.12 -0.07 0.00 -0.53 0.00 0.00 54.79 52.12 1sg5 n ASP 68 Cb 0.42 -0.28 0.03 0.00 -0.64 0.00 0.00 41.12 40.66 1sg5 n ASP 68 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1sg5 n LYS 69 N 0.42 -1.69 -2.39 -1.24 5.02 -1.18 -4.92 118.16 112.19 1sg5 n LYS 69 Ca 0.13 1.13 -0.42 0.00 -2.02 0.00 0.00 58.31 57.14 1sg5 n LYS 69 Cb 0.49 -5.57 -0.03 0.00 -0.02 0.00 0.00 35.03 29.90 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 -3.19 3.82 0.05 -0.18 1.10 -1.26 -4.66 121.20 116.88 1sg5 s ILE 70 Ca 0.22 1.38 -0.10 0.00 -0.51 0.00 0.00 60.65 61.64 1sg5 s ILE 70 Cb -0.03 -3.88 -0.02 0.00 0.15 0.00 0.00 42.46 38.68 1sg5 s ILE 70 CO 0.70 0.15 0.67 0.41 -2.11 0.00 0.00 174.94 174.76 1sg5 n THR 71 N 3.41 -0.21 -3.57 4.00 -1.04 -1.26 -1.17 114.28 114.43 1sg5 n THR 71 Ca 0.07 1.04 -0.16 0.00 -2.04 0.00 0.00 64.05 62.96 1sg5 n THR 71 Cb 0.45 -1.31 -0.06 0.00 -1.82 0.00 0.00 70.33 67.60 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 -4.41 -0.53 -0.06 8.00 1.04 -1.00 -0.33 113.70 116.41 1sg5 s SER 72 Ca -0.04 0.49 -0.01 0.00 0.48 0.00 0.00 55.95 56.88 1sg5 s SER 72 Cb 0.03 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.67 1sg5 s SER 72 CO 0.19 -0.61 -0.01 0.72 0.98 0.00 0.00 173.24 174.52 1sg5 s PHE 73 N -1.48 0.62 0.11 5.02 -0.71 -0.36 -0.42 117.98 120.77 1sg5 s PHE 73 Ca -0.10 -0.14 0.04 0.00 -1.04 0.00 0.00 56.93 55.68 1sg5 s PHE 73 Cb -0.01 -0.71 -0.04 0.00 -1.21 0.00 0.00 43.02 41.05 1sg5 s PHE 73 CO 0.06 -0.27 0.12 0.45 -1.34 0.00 0.00 175.22 174.24 1sg5 s SER 74 N 1.61 5.61 -0.08 1.98 0.15 0.61 -1.99 113.70 121.59 1sg5 s SER 74 Ca -0.01 -0.03 -0.03 0.00 0.70 0.00 0.00 55.95 56.58 1sg5 s SER 74 Cb -0.13 -1.51 0.04 0.00 -1.71 0.00 0.00 66.02 62.71 1sg5 s SER 74 CO -0.03 0.13 0.14 -1.00 1.20 0.00 0.00 173.24 173.67 1sg5 s HIS 75 N -1.54 -0.12 -0.40 3.44 3.76 0.11 -2.36 115.29 118.19 1sg5 s HIS 75 Ca 0.30 0.51 -0.03 0.00 -0.15 0.00 0.00 55.06 55.70 1sg5 s HIS 75 Cb -0.11 -0.32 -0.05 0.00 1.11 0.00 0.00 32.58 33.20 1sg5 s HIS 75 CO 0.23 -0.26 1.67 -2.30 -0.85 0.00 0.00 174.74 173.23 1sg5 n PRO 76 N 5.32 1.12 0.00 8.40 -0.02 -1.26 -1.82 135.00 146.74 1sg5 n PRO 76 Ca -0.04 -0.87 0.00 0.00 -2.02 0.00 0.00 63.50 60.57 1sg5 n PRO 76 Cb 0.50 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 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 3.99 0.00 -0.06 -0.52 4.07 -1.26 -5.01 120.64 121.85 1sg5 n GLU 77 Ca 0.24 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.30 1sg5 n GLU 77 Cb 0.16 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.51 1sg5 n GLU 77 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 1sg5 h ILE 78 N 0.00 0.30 0.00 6.31 2.04 -1.75 -3.52 117.51 120.89 1sg5 h ILE 78 Ca 0.00 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.61 1sg5 h ILE 78 Cb 0.00 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1sg5 h ILE 78 CO 0.00 0.10 0.00 0.61 0.00 0.00 0.00 178.15 178.86 1sg5 n GLY 79 N 1.70 0.80 3.16 5.37 0.00 -0.76 -4.97 105.19 110.48 1sg5 n GLY 79 Ca -0.05 -1.81 -0.33 0.00 0.00 0.00 0.00 46.02 43.83 1sg5 n GLY 79 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1sg5 s THR 80 N -2.72 2.15 -0.12 2.61 -1.32 -1.26 -0.71 115.64 114.27 1sg5 s THR 80 Ca 0.00 -0.93 0.03 0.00 -1.21 0.00 0.00 61.69 59.59 1sg5 s THR 80 Cb 0.00 -1.89 0.00 0.00 -1.51 0.00 0.00 72.50 69.11 1sg5 s THR 80 CO 0.00 0.54 -0.23 -0.69 -2.21 0.00 0.00 174.62 172.03 1sg5 s VAL 81 N 1.07 2.09 -0.20 5.08 1.01 -0.84 -4.91 120.40 123.70 1sg5 s VAL 81 Ca -0.00 -0.99 -0.08 0.00 0.00 0.00 0.00 61.98 60.90 1sg5 s VAL 81 Cb -0.14 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 1sg5 s VAL 81 CO -0.07 0.56 0.08 -0.69 0.00 0.00 0.00 175.10 174.97 1sg5 s VAL 82 N 0.51 4.78 0.00 2.92 1.01 -1.23 -1.22 120.40 127.17 1sg5 s VAL 82 Ca -0.15 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1sg5 s VAL 82 Cb -0.17 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.03 1sg5 s VAL 82 CO 0.05 0.42 0.00 0.55 0.00 0.00 0.00 175.10 176.12 1sg5 n VAL 83 N 3.87 0.00 -0.29 2.92 3.14 0.55 -4.73 118.33 123.80 1sg5 n VAL 83 Ca -0.16 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.22 1sg5 n VAL 83 Cb 0.52 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.30 1sg5 n VAL 83 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1sg5 n SER 84 N 0.14 0.00 -4.50 6.55 2.88 -1.23 -3.39 113.62 114.08 1sg5 n SER 84 Ca 0.00 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.18 1sg5 n SER 84 Cb 0.00 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.53 1sg5 n SER 84 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1sg5 n GLU 85 N 0.00 0.38 -0.57 -1.46 4.71 -1.26 -5.07 120.64 117.37 1sg5 n GLU 85 Ca 0.00 0.17 0.00 0.00 -0.01 0.00 0.00 57.16 57.32 1sg5 n GLU 85 Cb 0.00 -1.91 0.00 0.00 -1.01 0.00 0.00 31.44 28.52 1sg5 n GLU 85 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09