#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 4.70 0.09 3.17 0.15 -1.26 -5.06 113.70 115.48 1sg5 s SER 2 Ca 0.00 -0.97 0.00 0.00 0.70 0.00 0.00 55.95 55.68 1sg5 s SER 2 Cb 0.00 -0.42 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 1sg5 s SER 2 CO 0.00 -0.65 0.00 1.15 1.20 0.00 0.00 173.24 174.94 1sg5 n MET 3 N -1.42 0.00 0.00 5.44 3.85 -1.26 -5.11 117.12 118.62 1sg5 n MET 3 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.70 56.71 1sg5 n MET 3 Cb 0.63 -0.00 0.00 0.00 -1.05 0.00 0.00 33.22 32.80 1sg5 n MET 3 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1sg5 n ASN 4 N -2.79 0.00 -2.96 3.17 4.05 -1.26 -5.11 115.26 110.36 1sg5 n ASN 4 Ca 0.00 0.00 0.03 0.00 0.45 0.00 0.00 54.58 55.06 1sg5 n ASN 4 Cb 0.00 0.18 0.00 0.00 1.23 0.00 0.00 39.78 41.20 1sg5 n ASN 4 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1sg5 s ASP 5 N 0.28 -0.54 -0.07 1.20 -1.08 -1.26 -5.03 116.67 110.17 1sg5 s ASP 5 Ca 0.00 -0.14 0.03 0.00 -0.52 0.00 0.00 52.55 51.91 1sg5 s ASP 5 Cb 0.00 0.92 0.08 0.00 -1.46 0.00 0.00 42.92 42.47 1sg5 s ASP 5 CO 0.00 -0.07 0.81 1.07 0.52 0.00 0.00 175.17 177.50 1sg5 n THR 6 N 4.31 0.00 -2.86 1.71 5.66 -1.26 -5.09 114.28 116.75 1sg5 n THR 6 Ca 0.07 -0.20 -0.43 0.00 -3.05 0.00 0.00 64.05 60.44 1sg5 n THR 6 Cb 0.60 0.48 -0.04 0.00 -1.55 0.00 0.00 70.33 69.82 1sg5 n THR 6 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1sg5 s TYR 7 N 0.03 2.70 -0.37 1.09 1.51 -1.26 -5.01 117.35 116.04 1sg5 s TYR 7 Ca 0.02 -0.41 -0.23 0.00 -1.01 0.00 0.00 57.07 55.44 1sg5 s TYR 7 Cb 0.09 -4.22 0.01 0.00 -0.11 0.00 0.00 41.96 37.73 1sg5 s TYR 7 CO -0.03 -1.57 0.77 -0.65 -1.11 0.00 0.00 175.55 172.96 1sg5 s GLN 8 N 4.02 3.73 0.49 -0.62 1.11 -1.26 -4.93 119.66 122.21 1sg5 s GLN 8 Ca 0.24 0.26 0.29 0.00 0.01 0.00 0.00 55.36 56.16 1sg5 s GLN 8 Cb -0.16 -3.82 1.37 0.00 -1.01 0.00 0.00 33.01 29.40 1sg5 s GLN 8 CO 0.12 -0.85 1.83 -1.35 0.01 0.00 0.00 175.29 175.06 1sg5 h PRO 9 N 8.50 0.13 0.00 2.91 0.11 -1.90 -3.33 132.00 138.42 1sg5 h PRO 9 Ca -0.25 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1sg5 h PRO 9 Cb 1.10 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1sg5 h PRO 9 CO 0.90 0.09 0.00 1.51 -0.21 0.00 0.00 178.00 180.29 1sg5 n ILE 10 N -4.35 0.00 -3.52 4.15 3.06 -1.26 -3.02 119.36 114.41 1sg5 n ILE 10 Ca 0.22 0.00 -0.35 0.00 -2.50 0.00 0.00 62.75 60.13 1sg5 n ILE 10 Cb 1.00 0.00 -0.05 0.00 0.54 0.00 0.00 39.64 41.12 1sg5 n ILE 10 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1sg5 s ASN 11 N -1.72 6.68 1.01 9.51 6.03 -1.26 -2.28 114.94 132.91 1sg5 s ASN 11 Ca 0.00 0.86 -0.17 0.00 -1.03 0.00 0.00 52.86 52.52 1sg5 s ASN 11 Cb 0.00 -2.20 0.23 0.00 -3.03 0.00 0.00 41.25 36.24 1sg5 s ASN 11 CO 0.00 0.14 1.30 0.00 -2.03 0.00 0.00 177.10 176.51 1sg5 h ASP 13 N -1.78 -0.35 0.00 0.00 2.03 -1.99 -2.94 116.42 111.40 1sg5 h ASP 13 Ca -0.42 -0.19 -0.06 0.00 -0.73 0.00 0.00 57.03 55.63 1sg5 h ASP 13 Cb 1.17 0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 39.75 1sg5 h ASP 13 CO 0.30 0.11 -0.33 -2.24 -1.03 0.00 0.00 179.24 176.05 1sg5 h ASP 14 N -0.92 0.00 -0.17 4.15 3.04 -2.00 -3.30 116.42 117.22 1sg5 h ASP 14 Ca -0.04 -0.83 0.05 0.00 -3.24 0.00 0.00 57.03 52.97 1sg5 h ASP 14 Cb 0.51 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.80 1sg5 h ASP 14 CO 0.07 1.10 0.48 1.88 -2.04 0.00 0.00 179.24 180.73 1sg5 h TYR 15 N -1.00 0.00 0.11 4.15 -1.99 -1.97 0.56 116.97 116.83 1sg5 h TYR 15 Ca -0.09 0.00 -0.27 0.00 2.00 0.00 0.00 58.73 60.37 1sg5 h TYR 15 Cb 1.04 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.78 1sg5 h TYR 15 CO 0.22 0.00 -1.19 0.22 -0.00 0.00 0.00 178.16 177.41 1sg5 h ASP 16 N 0.00 0.57 0.22 3.88 3.58 -1.60 -1.94 116.42 121.12 1sg5 h ASP 16 Ca 0.08 -0.55 -0.32 0.00 0.42 0.00 0.00 57.03 56.66 1sg5 h ASP 16 Cb 1.03 -0.18 0.03 0.00 1.72 0.00 0.00 39.33 41.93 1sg5 h ASP 16 CO -0.00 1.40 -1.46 0.78 -2.88 0.00 0.00 179.24 177.08 1sg5 h ASN 17 N 0.15 0.72 0.50 2.28 2.35 -0.01 -2.44 115.58 119.14 1sg5 h ASN 17 Ca -0.14 -0.93 -0.30 0.00 -0.55 0.00 0.00 56.30 54.39 1sg5 h ASN 17 Cb 1.88 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.99 1sg5 h ASN 17 CO 0.21 1.69 -1.56 0.25 -1.65 0.00 0.00 177.43 176.36 1sg5 h LEU 18 N 0.04 0.23 0.20 1.61 5.85 -1.33 -2.87 115.31 119.05 1sg5 h LEU 18 Ca -0.27 -0.36 -0.34 0.00 0.84 0.00 0.00 57.88 57.75 1sg5 h LEU 18 Cb 2.07 -0.07 0.02 0.00 0.37 0.00 0.00 40.66 43.04 1sg5 h LEU 18 CO 0.23 1.31 -1.64 -0.33 -0.34 0.00 0.00 178.44 177.66 1sg5 h GLU 19 N 0.04 0.43 -0.12 1.25 4.39 -1.52 -1.69 114.58 117.35 1sg5 h GLU 19 Ca -0.24 -0.73 -0.20 0.00 0.34 0.00 0.00 59.36 58.52 1sg5 h GLU 19 Cb 1.98 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 30.91 1sg5 h GLU 19 CO 0.13 1.35 -0.74 1.25 -1.16 0.00 0.00 179.01 179.84 1sg5 h LEU 20 N 0.09 0.72 0.00 1.33 7.12 -1.48 1.16 115.31 124.24 1sg5 h LEU 20 Ca -0.32 -0.46 -0.00 0.00 0.13 0.00 0.00 57.88 57.23 1sg5 h LEU 20 Cb 2.09 -0.21 -0.00 0.00 -0.53 0.00 0.00 40.66 42.01 1sg5 h LEU 20 CO 0.20 1.23 -0.01 0.00 -0.13 0.00 0.00 178.44 179.73 1sg5 h ALA 21 N 0.76 0.00 0.20 1.25 0.00 -1.64 -1.69 119.26 118.14 1sg5 h ALA 21 Ca -0.04 -0.10 -0.33 0.00 0.00 0.00 0.00 54.91 54.44 1sg5 h ALA 21 Cb 1.34 0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.15 1sg5 h ALA 21 CO 0.14 0.01 -1.55 0.00 0.00 0.00 0.00 179.25 177.85 1sg5 h GLN 23 N 0.11 0.00 0.00 0.00 1.08 -0.31 -3.37 115.11 112.62 1sg5 h GLN 23 Ca -0.27 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.65 1sg5 h GLN 23 Cb 2.10 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 29.48 1sg5 h GLN 23 CO 0.22 0.41 -2.08 0.72 -0.95 0.00 0.00 178.83 177.15 1sg5 n HIS 24 N -3.06 0.00 -3.56 2.96 8.25 0.37 -4.29 115.22 115.88 1sg5 n HIS 24 Ca -0.03 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.21 1sg5 n HIS 24 Cb 0.78 -0.77 0.08 0.00 1.12 0.00 0.00 29.99 31.20 1sg5 n HIS 24 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1sg5 n HIS 25 N -2.63 -2.66 0.00 4.41 8.25 0.20 -2.94 115.22 119.85 1sg5 n HIS 25 Ca -0.26 0.99 0.00 0.00 -0.26 0.00 0.00 57.72 58.19 1sg5 n HIS 25 Cb 1.00 -5.02 0.00 0.00 1.12 0.00 0.00 29.99 27.09 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 -4.73 0.00 -4.59 2.41 4.32 -1.13 -4.80 117.00 108.46 1sg5 n LEU 26 Ca -0.08 0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.48 1sg5 n LEU 26 Cb 0.59 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.37 1sg5 n LEU 26 CO 0.64 0.00 1.02 -0.04 -1.22 0.00 0.00 177.39 177.79 1sg5 s MET 27 N 0.00 3.66 0.24 3.23 -1.94 -1.15 -3.92 119.30 119.43 1sg5 s MET 27 Ca 0.00 0.46 0.12 0.00 -1.71 0.00 0.00 55.69 54.56 1sg5 s MET 27 Cb 0.00 -3.93 -0.05 0.00 2.01 0.00 0.00 34.83 32.86 1sg5 s MET 27 CO 0.00 -1.44 -0.22 -0.48 -0.01 0.00 0.00 175.02 172.87 1sg5 s LEU 28 N 4.52 2.52 -0.32 -0.03 2.34 -1.03 -4.84 118.68 121.85 1sg5 s LEU 28 Ca 0.46 -0.96 -0.02 0.00 0.06 0.00 0.00 54.13 53.67 1sg5 s LEU 28 Cb -0.07 -1.13 0.06 0.00 -0.56 0.00 0.00 46.19 44.49 1sg5 s LEU 28 CO 0.30 0.07 0.04 -0.89 -1.06 0.00 0.00 176.35 174.81 1sg5 s THR 29 N -2.15 3.04 -0.22 5.48 2.01 -0.90 -0.40 115.64 122.51 1sg5 s THR 29 Ca 0.26 -1.50 -0.13 0.00 0.31 0.00 0.00 61.69 60.62 1sg5 s THR 29 Cb -0.06 -2.81 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 1sg5 s THR 29 CO 0.13 -0.21 0.29 -0.76 -0.69 0.00 0.00 174.62 173.38 1sg5 s LEU 30 N 1.23 4.13 0.05 4.42 2.01 0.10 -0.10 118.68 130.52 1sg5 s LEU 30 Ca -0.03 0.32 0.07 0.00 0.01 0.00 0.00 54.13 54.50 1sg5 s LEU 30 Cb -0.20 -2.32 -0.03 0.00 0.01 0.00 0.00 46.19 43.64 1sg5 s LEU 30 CO -0.02 -0.02 -0.17 -1.83 1.01 0.00 0.00 176.35 175.32 1sg5 s GLU 31 N 1.26 2.09 0.22 1.70 -1.05 0.69 -0.20 118.70 123.41 1sg5 s GLU 31 Ca 0.14 -0.98 0.09 0.00 -0.15 0.00 0.00 54.97 54.06 1sg5 s GLU 31 Cb -0.14 -2.21 -0.05 0.00 -0.44 0.00 0.00 34.13 31.29 1sg5 s GLU 31 CO 0.07 0.54 -0.16 -0.51 0.95 0.00 0.00 175.26 176.15 1sg5 s LEU 32 N -1.53 2.56 0.28 1.83 1.02 -0.63 -1.91 118.68 120.30 1sg5 s LEU 32 Ca 0.15 -1.01 0.20 0.00 0.02 0.00 0.00 54.13 53.50 1sg5 s LEU 32 Cb -0.11 -0.77 0.94 0.00 0.02 0.00 0.00 46.19 46.28 1sg5 s LEU 32 CO 0.06 -0.12 0.99 0.29 0.02 0.00 0.00 176.35 177.59 1sg5 n LYS 33 N -0.38 -0.02 0.00 1.70 4.76 -1.26 0.22 118.16 123.17 1sg5 n LYS 33 Ca -0.08 0.79 0.00 0.00 -2.87 0.00 0.00 58.31 56.16 1sg5 n LYS 33 Cb 0.60 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 1sg5 n LYS 33 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1sg5 n ASP 34 N -3.95 2.87 -3.04 4.39 2.03 -1.26 -4.78 116.55 112.82 1sg5 n ASP 34 Ca 0.25 -1.97 -0.15 0.00 0.52 0.00 0.00 54.79 53.45 1sg5 n ASP 34 Cb 0.99 -0.49 -0.02 0.00 -0.72 0.00 0.00 41.12 40.88 1sg5 n ASP 34 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sg5 n GLY 35 N 0.49 -0.48 3.32 0.27 0.00 0.59 -4.87 105.19 104.52 1sg5 n GLY 35 Ca 0.00 0.03 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 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 -5.62 2.86 -0.04 1.61 2.12 -1.01 -4.84 118.70 113.79 1sg5 s GLU 36 Ca 0.23 -1.54 -0.00 0.00 0.36 0.00 0.00 54.97 54.02 1sg5 s GLU 36 Cb -0.13 -4.11 -0.04 0.00 0.26 0.00 0.00 34.13 30.11 1sg5 s GLU 36 CO 0.29 -1.14 0.03 -1.59 -0.54 0.00 0.00 175.26 172.31 1sg5 s LYS 37 N 1.56 2.95 -0.12 4.30 0.00 -1.24 -1.60 119.74 125.59 1sg5 s LYS 37 Ca 0.04 -0.49 -0.09 0.00 0.00 0.00 0.00 55.97 55.43 1sg5 s LYS 37 Cb -0.26 -2.78 0.04 0.00 0.00 0.00 0.00 37.83 34.83 1sg5 s LYS 37 CO 0.04 0.66 0.30 -0.48 0.00 0.00 0.00 175.35 175.87 1sg5 s LEU 38 N -1.35 0.59 0.15 2.77 -0.00 0.73 -4.89 118.68 116.69 1sg5 s LEU 38 Ca 0.18 0.62 -0.12 0.00 -0.00 0.00 0.00 54.13 54.82 1sg5 s LEU 38 Cb -0.12 0.99 -0.07 0.00 -0.00 0.00 0.00 46.19 47.00 1sg5 s LEU 38 CO 0.08 -0.13 0.51 -1.58 -0.00 0.00 0.00 176.35 175.23 1sg5 s GLN 39 N 0.65 3.88 -0.06 1.48 0.74 -1.25 0.03 119.66 125.14 1sg5 s GLN 39 Ca -0.04 0.35 0.00 0.00 0.05 0.00 0.00 55.36 55.72 1sg5 s GLN 39 Cb -0.05 -2.87 0.02 0.00 1.10 0.00 0.00 33.01 31.21 1sg5 s GLN 39 CO -0.04 0.45 -0.04 0.00 -0.55 0.00 0.00 175.29 175.11 1sg5 s ALA 40 N -1.55 0.76 0.28 1.58 0.00 0.47 -4.93 121.76 118.37 1sg5 s ALA 40 Ca 0.39 -0.13 -0.28 0.00 0.00 0.00 0.00 51.96 51.94 1sg5 s ALA 40 Cb -0.14 -0.56 -0.09 0.00 0.00 0.00 0.00 23.12 22.33 1sg5 s ALA 40 CO 0.20 -0.17 0.96 0.21 0.00 0.00 0.00 175.76 176.96 1sg5 s LYS 41 N 1.27 4.72 0.59 0.00 2.36 -1.26 -2.46 119.74 124.96 1sg5 s LYS 41 Ca -0.05 1.47 0.00 0.00 -2.55 0.00 0.00 55.97 54.84 1sg5 s LYS 41 Cb -0.14 -3.09 0.00 0.00 -1.05 0.00 0.00 37.83 33.55 1sg5 s LYS 41 CO -0.02 0.38 0.00 0.00 1.55 0.00 0.00 175.35 177.26 1sg5 n ALA 42 N 1.10 -2.00 0.00 3.13 0.00 -1.25 -4.14 120.51 117.35 1sg5 n ALA 42 Ca -0.00 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1sg5 n ALA 42 Cb 0.48 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.73 0.00 -3.70 0.00 3.41 -1.26 -2.94 113.62 107.41 1sg5 n SER 43 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 1sg5 n SER 43 Cb 0.24 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.13 1sg5 n SER 43 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1sg5 s ASP 44 N 0.00 0.42 0.20 4.04 1.47 -0.34 -4.78 116.67 117.68 1sg5 s ASP 44 Ca 0.00 -1.27 0.09 0.00 1.18 0.00 0.00 52.55 52.55 1sg5 s ASP 44 Cb 0.00 0.58 -0.04 0.00 -0.34 0.00 0.00 42.92 43.12 1sg5 s ASP 44 CO 0.00 -1.15 -0.17 -0.22 0.68 0.00 0.00 175.17 174.31 1sg5 s LEU 45 N -3.15 2.50 -0.01 2.11 0.20 -1.26 -0.17 118.68 118.91 1sg5 s LEU 45 Ca 0.29 -0.94 0.03 0.00 0.69 0.00 0.00 54.13 54.20 1sg5 s LEU 45 Cb 0.01 -0.82 -0.01 0.00 -0.43 0.00 0.00 46.19 44.94 1sg5 s LEU 45 CO 0.15 -0.07 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.35 1sg5 s VAL 46 N -2.44 0.75 -0.10 1.68 1.01 0.54 -4.85 120.40 117.00 1sg5 s VAL 46 Ca 0.20 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 61.73 1sg5 s VAL 46 Cb -0.04 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 1sg5 s VAL 46 CO 0.08 0.21 0.12 -0.94 0.00 0.00 0.00 175.10 174.57 1sg5 s SER 47 N -0.21 6.14 0.09 3.32 1.04 -1.26 -0.32 113.70 122.50 1sg5 s SER 47 Ca 0.03 0.38 0.01 0.00 0.48 0.00 0.00 55.95 56.86 1sg5 s SER 47 Cb -0.04 -1.93 -0.04 0.00 0.10 0.00 0.00 66.02 64.11 1sg5 s SER 47 CO -0.00 0.38 0.18 -0.13 0.98 0.00 0.00 173.24 174.65 1sg5 s ARG 48 N -1.13 3.27 0.59 4.02 1.81 -0.84 -4.86 118.95 121.80 1sg5 s ARG 48 Ca 0.16 -0.55 0.30 0.00 -1.72 0.00 0.00 55.73 53.92 1sg5 s ARG 48 Cb -0.12 -2.93 1.37 0.00 -0.45 0.00 0.00 34.95 32.83 1sg5 s ARG 48 CO 0.06 0.58 1.75 -0.22 -0.68 0.00 0.00 175.30 176.78 1sg5 h LYS 49 N 2.94 0.00 0.00 3.54 1.63 -2.03 -0.61 116.57 122.04 1sg5 h LYS 49 Ca -0.46 0.00 -0.34 0.00 -0.85 0.00 0.00 60.65 58.99 1sg5 h LYS 49 Cb 1.17 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.73 1sg5 h LYS 49 CO 0.72 0.00 -2.30 0.09 -3.45 0.00 0.00 179.45 174.51 1sg5 n ASN 50 N -3.67 0.59 0.00 4.20 3.02 -1.26 -5.07 115.26 113.07 1sg5 n ASN 50 Ca 0.15 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 1sg5 n ASN 50 Cb 0.96 0.80 0.00 0.00 -0.61 0.00 0.00 39.78 40.93 1sg5 n ASN 50 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1sg5 n VAL 51 N -2.75 0.00 0.00 2.41 0.24 -0.24 -5.00 118.33 112.99 1sg5 n VAL 51 Ca -0.32 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 1sg5 n VAL 51 Cb 1.09 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.46 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 -1.98 120.64 120.76 1sg5 n GLU 52 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.83 1sg5 n GLU 52 Cb 0.00 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 32.76 1sg5 n GLU 52 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1sg5 s TYR 53 N -1.09 1.40 0.02 -1.84 2.02 0.57 -4.69 117.35 113.74 1sg5 s TYR 53 Ca 0.00 -0.63 -0.02 0.00 -0.37 0.00 0.00 57.07 56.05 1sg5 s TYR 53 Cb 0.00 -0.71 -0.04 0.00 -0.40 0.00 0.00 41.96 40.81 1sg5 s TYR 53 CO 0.00 0.16 0.20 -1.17 -1.57 0.00 0.00 175.55 173.17 1sg5 s LEU 54 N -2.86 4.36 -0.16 -1.29 0.20 -1.09 -0.34 118.68 117.50 1sg5 s LEU 54 Ca 0.14 0.34 -0.02 0.00 0.69 0.00 0.00 54.13 55.29 1sg5 s LEU 54 Cb -0.01 -2.76 0.05 0.00 -0.43 0.00 0.00 46.19 43.03 1sg5 s LEU 54 CO 0.03 0.22 -0.00 -0.69 -0.29 0.00 0.00 176.35 175.62 1sg5 s VAL 55 N -1.40 0.74 -0.04 1.68 1.01 0.76 -1.87 120.40 121.29 1sg5 s VAL 55 Ca 0.30 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.79 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 0.22 -0.01 -0.01 0.68 0.00 0.00 0.00 175.10 175.98 1sg5 s VAL 56 N 1.78 4.10 -0.30 2.92 -7.23 -0.68 -1.20 120.40 119.80 1sg5 s VAL 56 Ca 0.00 -0.48 -0.21 0.00 -1.81 0.00 0.00 61.98 59.48 1sg5 s VAL 56 Cb -0.16 -2.77 -0.01 0.00 0.56 0.00 0.00 36.38 34.00 1sg5 s VAL 56 CO -0.07 0.48 0.68 -0.70 -0.31 0.00 0.00 175.10 175.19 1sg5 s GLU 57 N -1.22 3.95 -0.89 4.82 2.56 -1.15 -0.30 118.70 126.46 1sg5 s GLU 57 Ca 0.16 0.43 -0.14 0.00 0.00 0.00 0.00 54.97 55.43 1sg5 s GLU 57 Cb -0.11 -3.72 0.22 0.00 2.00 0.00 0.00 34.13 32.52 1sg5 s GLU 57 CO 0.06 -0.59 0.87 0.00 -0.56 0.00 0.00 175.26 175.04 1sg5 s ALA 58 N 2.71 4.13 0.00 6.30 0.00 0.50 -4.39 121.76 131.01 1sg5 s ALA 58 Ca 0.28 -3.36 0.00 0.00 0.00 0.00 0.00 51.96 48.88 1sg5 s ALA 58 Cb -0.15 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1sg5 s ALA 58 CO 0.11 -2.34 0.00 0.00 0.00 0.00 0.00 175.76 173.54 1sg5 n ALA 59 N 4.02 0.00 -1.94 0.00 0.00 -1.26 -1.13 120.51 120.20 1sg5 n ALA 59 Ca 0.17 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.64 1sg5 n ALA 59 Cb 0.46 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.96 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 1.97 3.11 0.00 0.00 -1.26 -5.03 105.19 103.98 1sg5 n GLY 60 Ca 0.00 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.89 0.23 0.44 1.61 2.02 -0.29 -5.15 118.70 116.67 1sg5 s GLU 61 Ca 0.20 0.83 -0.23 0.00 0.02 0.00 0.00 54.97 55.78 1sg5 s GLU 61 Cb 0.21 0.08 -0.08 0.00 0.10 0.00 0.00 34.13 34.43 1sg5 s GLU 61 CO -0.05 -0.25 1.13 -0.08 0.02 0.00 0.00 175.26 176.02 1sg5 s THR 62 N 2.31 3.30 0.12 3.63 -1.32 -1.26 -0.37 115.64 122.04 1sg5 s THR 62 Ca -0.01 0.98 0.04 0.00 -1.21 0.00 0.00 61.69 61.49 1sg5 s THR 62 Cb -0.12 -3.50 -0.04 0.00 -1.51 0.00 0.00 72.50 67.33 1sg5 s THR 62 CO -0.10 -0.00 -0.10 -0.13 -2.21 0.00 0.00 174.62 172.07 1sg5 s ARG 63 N -2.62 0.95 -0.32 7.08 1.81 0.59 -4.86 118.95 121.58 1sg5 s ARG 63 Ca 0.62 -1.29 0.01 0.00 -1.72 0.00 0.00 55.73 53.35 1sg5 s ARG 63 Cb -0.27 -0.60 0.08 0.00 -0.45 0.00 0.00 34.95 33.71 1sg5 s ARG 63 CO 0.33 0.09 0.01 -1.21 -0.68 0.00 0.00 175.30 173.84 1sg5 s GLU 64 N -3.18 2.06 -0.06 3.54 0.41 -1.26 -1.69 118.70 118.51 1sg5 s GLU 64 Ca 0.10 -1.54 0.04 0.00 -0.41 0.00 0.00 54.97 53.17 1sg5 s GLU 64 Cb -0.01 -3.17 -0.00 0.00 -1.78 0.00 0.00 34.13 29.17 1sg5 s GLU 64 CO 0.00 -0.76 -0.19 -0.51 -0.49 0.00 0.00 175.26 173.32 1sg5 s LEU 65 N 1.10 1.92 0.00 1.80 1.02 -0.78 -4.65 118.68 119.08 1sg5 s LEU 65 Ca 0.00 -0.40 0.00 0.00 0.02 0.00 0.00 54.13 53.75 1sg5 s LEU 65 Cb -0.20 -1.07 0.00 0.00 0.02 0.00 0.00 46.19 44.94 1sg5 s LEU 65 CO -0.05 0.15 0.00 0.54 0.02 0.00 0.00 176.35 177.01 1sg5 n ARG 66 N 3.26 0.00 0.10 1.70 1.74 -1.26 -2.66 116.66 119.54 1sg5 n ARG 66 Ca -0.19 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.02 1sg5 n ARG 66 Cb 0.53 0.00 0.45 0.00 -1.02 0.00 0.00 32.46 32.41 1sg5 n ARG 66 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 1sg5 n LEU 67 N 0.00 0.67 -0.60 0.55 -0.00 -1.26 -2.81 117.00 113.55 1sg5 n LEU 67 Ca 0.00 0.60 0.05 0.00 -0.00 0.00 0.00 56.01 56.66 1sg5 n LEU 67 Cb 0.00 -0.43 0.15 0.00 -0.00 0.00 0.00 43.42 43.14 1sg5 n LEU 67 CO 0.00 -0.30 0.63 0.47 -0.00 0.00 0.00 177.39 178.19 1sg5 n ASP 68 N -2.17 2.95 -3.11 1.45 8.00 -1.26 -5.00 116.55 117.41 1sg5 n ASP 68 Ca 0.04 -2.15 -0.06 0.00 0.71 0.00 0.00 54.79 53.33 1sg5 n ASP 68 Cb 0.35 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 1sg5 n ASP 68 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1sg5 n LYS 69 N 0.24 -1.62 -2.34 -1.24 5.02 -1.12 -4.88 118.16 112.22 1sg5 n LYS 69 Ca 0.12 1.56 -0.42 0.00 -2.02 0.00 0.00 58.31 57.55 1sg5 n LYS 69 Cb 0.47 -5.22 -0.03 0.00 -0.02 0.00 0.00 35.03 30.23 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 -2.85 3.77 0.01 -0.18 1.10 -1.26 -4.63 121.20 117.16 1sg5 s ILE 70 Ca 0.07 1.29 -0.02 0.00 -0.51 0.00 0.00 60.65 61.48 1sg5 s ILE 70 Cb -0.02 -3.83 -0.01 0.00 0.15 0.00 0.00 42.46 38.76 1sg5 s ILE 70 CO 0.78 0.11 0.25 0.41 -2.11 0.00 0.00 174.94 174.38 1sg5 n THR 71 N 3.76 -0.05 -3.48 4.00 -1.04 -1.26 -3.00 114.28 113.21 1sg5 n THR 71 Ca 0.09 0.38 -0.14 0.00 -2.04 0.00 0.00 64.05 62.34 1sg5 n THR 71 Cb 0.45 -0.49 -0.04 0.00 -1.82 0.00 0.00 70.33 68.43 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 -3.81 -0.57 -0.07 8.00 1.04 -0.80 -1.49 113.70 116.01 1sg5 s SER 72 Ca -0.01 0.24 -0.00 0.00 0.48 0.00 0.00 55.95 56.66 1sg5 s SER 72 Cb 0.01 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.71 1sg5 s SER 72 CO 0.05 -0.81 -0.03 0.72 0.98 0.00 0.00 173.24 174.14 1sg5 s PHE 73 N -2.75 0.88 0.14 5.02 -0.12 -0.61 -0.22 117.98 120.31 1sg5 s PHE 73 Ca -0.04 -0.31 0.06 0.00 -0.05 0.00 0.00 56.93 56.59 1sg5 s PHE 73 Cb -0.01 -0.86 -0.04 0.00 -0.63 0.00 0.00 43.02 41.49 1sg5 s PHE 73 CO -0.04 -0.32 0.03 0.45 -0.05 0.00 0.00 175.22 175.29 1sg5 s SER 74 N 1.57 5.07 -0.28 1.98 0.15 0.86 -2.07 113.70 120.97 1sg5 s SER 74 Ca -0.00 -0.24 -0.07 0.00 0.70 0.00 0.00 55.95 56.34 1sg5 s SER 74 Cb -0.13 -1.20 0.14 0.00 -1.71 0.00 0.00 66.02 63.12 1sg5 s SER 74 CO -0.04 0.12 0.60 -2.28 1.20 0.00 0.00 173.24 172.84 1sg5 s HIS 75 N -1.57 -1.32 -0.62 3.44 5.04 -0.78 -2.12 115.29 117.38 1sg5 s HIS 75 Ca 0.28 2.03 -0.23 0.00 -1.54 0.00 0.00 55.06 55.60 1sg5 s HIS 75 Cb -0.10 0.65 -0.23 0.00 0.04 0.00 0.00 32.58 32.94 1sg5 s HIS 75 CO 0.20 -0.70 1.74 -2.30 -2.34 0.00 0.00 174.74 171.35 1sg5 n PRO 76 N 5.43 0.05 0.00 2.88 -0.02 -1.26 -1.61 135.00 140.47 1sg5 n PRO 76 Ca -0.09 -1.20 0.00 0.00 -2.02 0.00 0.00 63.50 60.19 1sg5 n PRO 76 Cb 0.50 -3.03 0.00 0.00 -0.02 0.00 0.00 33.50 30.94 1sg5 n PRO 76 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1sg5 n GLU 77 N 7.33 0.00 -0.08 -0.52 1.02 -1.26 -4.99 120.64 122.14 1sg5 n GLU 77 Ca 0.34 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.35 1sg5 n GLU 77 Cb 0.45 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.79 1sg5 n GLU 77 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1sg5 h ILE 78 N 0.00 0.86 0.00 -3.67 2.04 -1.49 -3.52 117.51 111.74 1sg5 h ILE 78 Ca 0.00 -1.82 0.00 0.00 1.00 0.00 0.00 64.86 64.04 1sg5 h ILE 78 Cb 0.00 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 1sg5 h ILE 78 CO 0.00 0.29 0.00 0.61 0.00 0.00 0.00 178.15 179.05 1sg5 n GLY 79 N 1.57 0.85 3.16 5.37 0.00 -0.94 -5.00 105.19 110.21 1sg5 n GLY 79 Ca -0.16 -1.97 -0.32 0.00 0.00 0.00 0.00 46.02 43.57 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 -2.27 2.05 -0.13 2.61 -1.32 -1.25 -1.86 115.64 113.47 1sg5 s THR 80 Ca 0.00 -0.97 0.03 0.00 -1.21 0.00 0.00 61.69 59.54 1sg5 s THR 80 Cb 0.00 -1.81 0.01 0.00 -1.51 0.00 0.00 72.50 69.18 1sg5 s THR 80 CO 0.00 0.55 -0.22 -0.69 -2.21 0.00 0.00 174.62 172.05 1sg5 s VAL 81 N 0.85 2.14 -0.08 5.08 1.01 -0.88 -4.86 120.40 123.66 1sg5 s VAL 81 Ca -0.06 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 1sg5 s VAL 81 Cb -0.15 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1sg5 s VAL 81 CO -0.03 0.55 0.06 -0.69 0.00 0.00 0.00 175.10 174.99 1sg5 s VAL 82 N 0.69 4.78 0.00 2.92 1.01 -1.22 -1.58 120.40 127.00 1sg5 s VAL 82 Ca -0.10 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1sg5 s VAL 82 Cb -0.16 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1sg5 s VAL 82 CO 0.01 0.55 0.00 0.55 0.00 0.00 0.00 175.10 176.21 1sg5 n VAL 83 N 1.88 0.00 -2.22 2.92 3.14 -0.55 -4.09 118.33 119.40 1sg5 n VAL 83 Ca -0.18 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.20 1sg5 n VAL 83 Cb 0.54 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.32 1sg5 n VAL 83 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1sg5 n SER 84 N 0.39 -9.31 -4.77 6.55 7.64 -1.17 -4.92 113.62 108.03 1sg5 n SER 84 Ca 0.00 1.62 -0.38 0.00 1.01 0.00 0.00 58.87 61.12 1sg5 n SER 84 Cb 0.00 -5.21 -0.06 0.00 -1.01 0.00 0.00 64.21 57.93 1sg5 n SER 84 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1sg5 s GLU 85 N -0.56 4.58 0.00 1.43 -6.30 -0.97 -4.94 118.70 111.94 1sg5 s GLU 85 Ca 0.00 1.41 0.00 0.00 -2.50 0.00 0.00 54.97 53.88 1sg5 s GLU 85 Cb 0.00 -2.86 0.00 0.00 0.00 0.00 0.00 34.13 31.27 1sg5 s GLU 85 CO 0.00 0.26 0.00 0.43 0.02 0.00 0.00 175.26 175.97