#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 2.39 -1.40 7.83 0.15 -1.26 -4.52 113.70 116.89 1sg5 s SER 2 Ca 0.00 -0.47 -0.07 0.00 0.70 0.00 0.00 55.95 56.11 1sg5 s SER 2 Cb 0.00 -0.21 0.01 0.00 -1.71 0.00 0.00 66.02 64.10 1sg5 s SER 2 CO 0.00 0.18 0.87 0.80 1.20 0.00 0.00 173.24 176.29 1sg5 n MET 3 N 2.05 -6.24 0.00 5.44 1.56 -1.26 -4.73 117.12 113.95 1sg5 n MET 3 Ca -0.17 0.83 0.00 0.00 -0.27 0.00 0.00 57.70 58.10 1sg5 n MET 3 Cb 0.53 -5.70 0.00 0.00 2.15 0.00 0.00 33.22 30.20 1sg5 n MET 3 CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 1sg5 n ASN 4 N -2.59 0.00 -2.77 6.12 6.94 -1.26 -5.15 115.26 116.55 1sg5 n ASN 4 Ca -0.05 0.00 -0.07 0.00 -0.02 0.00 0.00 54.58 54.44 1sg5 n ASN 4 Cb 0.59 0.26 -0.00 0.00 -2.36 0.00 0.00 39.78 38.27 1sg5 n ASN 4 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1sg5 n ASP 5 N -2.10 1.56 -1.78 0.53 9.92 -1.26 -5.08 116.55 118.33 1sg5 n ASP 5 Ca 0.00 -1.52 -0.01 0.00 -0.53 0.00 0.00 54.79 52.72 1sg5 n ASP 5 Cb 0.00 -0.00 0.04 0.00 -0.64 0.00 0.00 41.12 40.52 1sg5 n ASP 5 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1sg5 n THR 6 N -0.81 0.00 -2.93 -3.53 5.66 -1.26 -4.93 114.28 106.48 1sg5 n THR 6 Ca -0.01 -0.36 -0.43 0.00 -3.05 0.00 0.00 64.05 60.20 1sg5 n THR 6 Cb 0.17 0.63 -0.04 0.00 -1.55 0.00 0.00 70.33 69.54 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 0.05 2.79 -0.23 1.09 2.02 -1.26 -5.02 117.35 116.77 1sg5 s TYR 7 Ca 0.03 -0.53 -0.19 0.00 -0.37 0.00 0.00 57.07 56.01 1sg5 s TYR 7 Cb 0.16 -4.13 -0.02 0.00 -0.40 0.00 0.00 41.96 37.57 1sg5 s TYR 7 CO -0.05 -1.48 0.58 -0.65 -1.57 0.00 0.00 175.55 172.39 1sg5 s GLN 8 N 3.66 4.13 0.53 -0.62 1.11 -1.26 -4.87 119.66 122.35 1sg5 s GLN 8 Ca 0.21 0.48 0.30 0.00 0.01 0.00 0.00 55.36 56.35 1sg5 s GLN 8 Cb -0.18 -3.62 1.44 0.00 -1.01 0.00 0.00 33.01 29.65 1sg5 s GLN 8 CO 0.11 -0.32 1.91 -1.35 0.01 0.00 0.00 175.29 175.65 1sg5 h PRO 9 N 7.76 0.03 0.00 2.91 0.11 -1.89 -3.40 132.00 137.52 1sg5 h PRO 9 Ca -0.29 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1sg5 h PRO 9 Cb 1.14 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1sg5 h PRO 9 CO 0.75 0.02 0.00 1.51 -0.21 0.00 0.00 178.00 180.07 1sg5 n ILE 10 N -4.30 0.00 -2.87 4.15 3.06 -1.26 -3.84 119.36 114.30 1sg5 n ILE 10 Ca 0.17 0.00 -0.35 0.00 -2.50 0.00 0.00 62.75 60.06 1sg5 n ILE 10 Cb 0.88 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 41.00 1sg5 n ILE 10 CO 0.00 0.00 0.00 0.20 -2.50 0.00 0.00 176.55 174.25 1sg5 s ASN 11 N 0.00 7.15 0.84 9.51 0.02 -1.26 -1.88 114.94 129.32 1sg5 s ASN 11 Ca 0.00 1.69 -0.07 0.00 -1.02 0.00 0.00 52.86 53.46 1sg5 s ASN 11 Cb 0.00 -2.53 0.17 0.00 0.02 0.00 0.00 41.25 38.92 1sg5 s ASN 11 CO 0.00 -0.14 1.16 0.00 0.02 0.00 0.00 177.10 178.14 1sg5 h ASP 13 N -1.07 -0.50 0.00 0.00 5.19 -1.99 -3.15 116.42 114.91 1sg5 h ASP 13 Ca -0.39 0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 55.98 1sg5 h ASP 13 Cb 1.24 0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.87 1sg5 h ASP 13 CO 0.36 -0.12 -0.34 -2.24 -3.12 0.00 0.00 179.24 173.79 1sg5 h ASP 14 N -1.06 0.00 -0.20 6.45 2.03 -2.01 -3.32 116.42 118.31 1sg5 h ASP 14 Ca -0.06 -0.79 0.06 0.00 -0.73 0.00 0.00 57.03 55.51 1sg5 h ASP 14 Cb 0.45 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.94 1sg5 h ASP 14 CO 0.10 1.09 0.49 1.88 -1.03 0.00 0.00 179.24 181.76 1sg5 h TYR 15 N -1.00 0.00 0.05 4.15 0.05 -1.99 0.61 116.97 118.84 1sg5 h TYR 15 Ca -0.09 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.46 1sg5 h TYR 15 Cb 1.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.73 1sg5 h TYR 15 CO 0.20 0.00 -1.03 0.22 -1.05 0.00 0.00 178.16 176.50 1sg5 h ASP 16 N 0.00 0.25 0.28 3.88 3.58 -1.65 -1.81 116.42 120.94 1sg5 h ASP 16 Ca 0.09 -0.24 -0.34 0.00 0.42 0.00 0.00 57.03 56.97 1sg5 h ASP 16 Cb 1.07 -0.08 0.03 0.00 1.72 0.00 0.00 39.33 42.07 1sg5 h ASP 16 CO -0.00 1.13 -1.55 0.78 -2.88 0.00 0.00 179.24 176.72 1sg5 h ASN 17 N 0.07 0.74 0.61 2.28 -0.26 0.10 -2.33 115.58 116.80 1sg5 h ASN 17 Ca -0.07 -0.87 -0.27 0.00 -0.56 0.00 0.00 56.30 54.53 1sg5 h ASN 17 Cb 1.74 -0.24 -0.04 0.00 -1.06 0.00 0.00 38.32 38.72 1sg5 h ASN 17 CO 0.16 1.70 -1.50 0.25 -1.06 0.00 0.00 177.43 176.98 1sg5 h LEU 18 N 0.13 0.07 0.12 1.61 5.85 -1.47 -2.82 115.31 118.80 1sg5 h LEU 18 Ca -0.27 -0.11 -0.24 0.00 0.84 0.00 0.00 57.88 58.10 1sg5 h LEU 18 Cb 2.14 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 43.15 1sg5 h LEU 18 CO 0.24 1.10 -1.17 -0.33 -0.34 0.00 0.00 178.44 177.93 1sg5 h GLU 19 N 0.01 0.25 -0.16 1.25 4.39 -1.49 -1.66 114.58 117.18 1sg5 h GLU 19 Ca -0.21 -0.43 -0.14 0.00 0.34 0.00 0.00 59.36 58.92 1sg5 h GLU 19 Cb 1.95 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 30.75 1sg5 h GLU 19 CO 0.10 1.21 -0.51 1.25 -1.16 0.00 0.00 179.01 179.90 1sg5 h LEU 20 N -0.36 0.48 0.00 1.33 7.12 -1.52 0.88 115.31 123.23 1sg5 h LEU 20 Ca -0.24 -0.24 -0.00 0.00 0.13 0.00 0.00 57.88 57.52 1sg5 h LEU 20 Cb 1.69 -0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 41.69 1sg5 h LEU 20 CO 0.08 0.90 -0.06 0.00 -0.13 0.00 0.00 178.44 179.24 1sg5 h ALA 21 N 1.11 0.01 0.19 1.25 0.00 -1.64 -1.06 119.26 119.12 1sg5 h ALA 21 Ca 0.01 -0.15 -0.32 0.00 0.00 0.00 0.00 54.91 54.45 1sg5 h ALA 21 Cb 1.01 0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.87 1sg5 h ALA 21 CO 0.09 0.05 -1.51 0.00 0.00 0.00 0.00 179.25 177.88 1sg5 h GLN 23 N 0.11 0.06 0.00 0.00 1.08 -0.22 -3.37 115.11 112.77 1sg5 h GLN 23 Ca -0.25 -0.10 -0.35 0.00 -1.45 0.00 0.00 58.65 56.50 1sg5 h GLN 23 Cb 2.09 0.04 -0.07 0.00 -0.05 0.00 0.00 27.48 29.50 1sg5 h GLN 23 CO 0.22 0.86 -2.31 0.72 -0.95 0.00 0.00 178.83 177.38 1sg5 n HIS 24 N -3.28 0.00 -3.74 2.96 8.25 0.26 -4.57 115.22 115.11 1sg5 n HIS 24 Ca -0.10 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.14 1sg5 n HIS 24 Cb 1.00 -0.94 0.02 0.00 1.12 0.00 0.00 29.99 31.20 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 -2.74 -1.87 0.00 4.41 -0.00 0.15 -2.11 115.22 113.06 1sg5 n HIS 25 Ca -0.32 0.80 0.00 0.00 0.46 0.00 0.00 57.72 58.67 1sg5 n HIS 25 Cb 1.11 -4.22 0.00 0.00 -0.12 0.00 0.00 29.99 26.75 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 -4.27 0.00 -4.57 0.27 4.32 -1.18 -4.81 117.00 106.76 1sg5 n LEU 26 Ca -0.29 0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.27 1sg5 n LEU 26 Cb 0.68 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.44 1sg5 n LEU 26 CO 0.69 0.00 0.84 -0.04 -1.22 0.00 0.00 177.39 177.66 1sg5 s MET 27 N 0.00 3.55 0.22 3.23 -1.94 -0.90 -3.50 119.30 119.97 1sg5 s MET 27 Ca 0.00 0.22 0.10 0.00 -1.71 0.00 0.00 55.69 54.30 1sg5 s MET 27 Cb 0.00 -3.94 -0.04 0.00 2.01 0.00 0.00 34.83 32.85 1sg5 s MET 27 CO 0.00 -1.32 -0.13 -0.48 -0.01 0.00 0.00 175.02 173.08 1sg5 s LEU 28 N 4.02 2.81 -0.32 -0.03 2.34 -1.00 -4.72 118.68 121.79 1sg5 s LEU 28 Ca 0.39 -0.76 -0.02 0.00 0.06 0.00 0.00 54.13 53.81 1sg5 s LEU 28 Cb -0.09 -1.44 0.06 0.00 -0.56 0.00 0.00 46.19 44.16 1sg5 s LEU 28 CO 0.27 0.07 0.04 -0.89 -1.06 0.00 0.00 176.35 174.78 1sg5 s THR 29 N -1.99 3.04 -0.07 5.48 2.01 -0.86 -0.44 115.64 122.81 1sg5 s THR 29 Ca 0.26 -1.51 -0.14 0.00 0.31 0.00 0.00 61.69 60.61 1sg5 s THR 29 Cb -0.07 -2.82 -0.05 0.00 0.01 0.00 0.00 72.50 69.57 1sg5 s THR 29 CO 0.15 -0.22 0.35 -0.76 -0.69 0.00 0.00 174.62 173.45 1sg5 s LEU 30 N 1.23 4.38 0.06 4.42 2.01 0.10 -0.39 118.68 130.49 1sg5 s LEU 30 Ca -0.02 0.76 0.05 0.00 0.01 0.00 0.00 54.13 54.92 1sg5 s LEU 30 Cb -0.20 -2.47 -0.03 0.00 0.01 0.00 0.00 46.19 43.51 1sg5 s LEU 30 CO -0.02 0.24 -0.13 -1.83 1.01 0.00 0.00 176.35 175.63 1sg5 s GLU 31 N -0.48 0.78 0.22 1.70 -1.05 0.51 -0.41 118.70 119.97 1sg5 s GLU 31 Ca 0.21 -0.87 0.09 0.00 -0.15 0.00 0.00 54.97 54.24 1sg5 s GLU 31 Cb -0.15 -0.75 -0.05 0.00 -0.44 0.00 0.00 34.13 32.75 1sg5 s GLU 31 CO 0.09 0.17 -0.16 -0.51 0.95 0.00 0.00 175.26 175.80 1sg5 s LEU 32 N -1.58 2.56 0.45 1.83 1.43 -0.89 -2.39 118.68 120.09 1sg5 s LEU 32 Ca -0.03 -1.03 0.32 0.00 -1.03 0.00 0.00 54.13 52.37 1sg5 s LEU 32 Cb -0.09 -0.77 1.45 0.00 0.03 0.00 0.00 46.19 46.81 1sg5 s LEU 32 CO 0.02 -0.12 1.62 0.11 0.23 0.00 0.00 176.35 178.20 1sg5 h LYS 33 N 2.49 0.07 -1.28 1.70 1.57 -1.93 0.89 116.57 120.07 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 1.23 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1sg5 h LYS 33 CO 0.62 0.05 0.00 -0.25 -0.57 0.00 0.00 179.45 179.29 1sg5 n ASP 34 N -4.63 2.53 -2.27 0.86 8.00 -1.26 -4.73 116.55 115.05 1sg5 n ASP 34 Ca 0.38 -1.63 -0.14 0.00 0.71 0.00 0.00 54.79 54.11 1sg5 n ASP 34 Cb 1.48 -0.44 -0.02 0.00 -0.02 0.00 0.00 41.12 42.13 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 -0.20 3.79 0.44 0.00 0.30 -4.93 105.19 105.29 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 -4.73 3.47 -0.30 1.61 2.56 -0.79 -4.80 118.70 115.73 1sg5 s GLU 36 Ca 0.00 1.45 -0.09 0.00 0.00 0.00 0.00 54.97 56.34 1sg5 s GLU 36 Cb 0.00 -2.04 0.14 0.00 2.00 0.00 0.00 34.13 34.23 1sg5 s GLU 36 CO 0.00 -0.72 0.64 0.21 -0.56 0.00 0.00 175.26 174.83 1sg5 s LYS 37 N -3.42 0.57 -0.18 4.30 2.20 -1.20 -2.10 119.74 119.91 1sg5 s LYS 37 Ca 0.69 1.38 -0.13 0.00 -0.36 0.00 0.00 55.97 57.56 1sg5 s LYS 37 Cb -0.20 0.82 0.05 0.00 -1.51 0.00 0.00 37.83 36.99 1sg5 s LYS 37 CO 0.27 -0.26 0.45 -0.48 -0.36 0.00 0.00 175.35 174.97 1sg5 s LEU 38 N 2.89 -0.02 0.11 5.43 -0.00 0.45 -4.93 118.68 122.61 1sg5 s LEU 38 Ca -0.02 0.96 -0.09 0.00 -0.00 0.00 0.00 54.13 54.97 1sg5 s LEU 38 Cb -0.12 1.53 -0.06 0.00 -0.00 0.00 0.00 46.19 47.53 1sg5 s LEU 38 CO -0.19 -0.18 0.43 -1.58 -0.00 0.00 0.00 176.35 174.82 1sg5 s GLN 39 N 0.94 3.76 -0.06 1.48 -0.44 -1.25 0.02 119.66 124.11 1sg5 s GLN 39 Ca -0.06 0.17 0.01 0.00 -2.50 0.00 0.00 55.36 52.98 1sg5 s GLN 39 Cb -0.06 -2.93 0.02 0.00 -1.64 0.00 0.00 33.01 28.41 1sg5 s GLN 39 CO -0.08 0.51 -0.06 0.00 0.50 0.00 0.00 175.29 176.16 1sg5 s ALA 40 N -1.50 0.92 0.28 1.58 0.00 0.42 -4.92 121.76 118.53 1sg5 s ALA 40 Ca 0.36 -0.22 -0.29 0.00 0.00 0.00 0.00 51.96 51.81 1sg5 s ALA 40 Cb -0.13 -0.57 -0.09 0.00 0.00 0.00 0.00 23.12 22.32 1sg5 s ALA 40 CO 0.20 -0.10 0.97 0.21 0.00 0.00 0.00 175.76 177.03 1sg5 s LYS 41 N 1.12 4.72 0.57 0.00 2.20 -1.26 -2.37 119.74 124.71 1sg5 s LYS 41 Ca -0.07 1.50 0.00 0.00 -0.36 0.00 0.00 55.97 57.03 1sg5 s LYS 41 Cb -0.14 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 1sg5 s LYS 41 CO -0.01 0.38 0.00 0.00 -0.36 0.00 0.00 175.35 175.36 1sg5 n ALA 42 N 1.12 -1.92 0.00 3.13 0.00 -1.23 -4.20 120.51 117.41 1sg5 n ALA 42 Ca -0.00 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1sg5 n ALA 42 Cb 0.48 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 -2.31 0.00 -3.53 0.00 3.41 -1.26 -3.01 113.62 106.92 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 0.40 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.29 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 0.65 0.21 4.04 1.11 0.46 -4.86 116.67 118.27 1sg5 s ASP 44 Ca 0.00 -1.37 0.10 0.00 0.18 0.00 0.00 52.55 51.46 1sg5 s ASP 44 Cb 0.00 0.61 -0.05 0.00 1.07 0.00 0.00 42.92 44.55 1sg5 s ASP 44 CO 0.00 -1.20 -0.19 -0.22 1.18 0.00 0.00 175.17 174.74 1sg5 s LEU 45 N -3.19 2.50 -0.04 1.23 0.20 -1.26 0.09 118.68 118.21 1sg5 s LEU 45 Ca 0.30 -0.93 0.01 0.00 0.69 0.00 0.00 54.13 54.20 1sg5 s LEU 45 Cb 0.01 -0.94 0.02 0.00 -0.43 0.00 0.00 46.19 44.85 1sg5 s LEU 45 CO 0.17 -0.01 -0.04 -0.69 -0.29 0.00 0.00 176.35 175.50 1sg5 s VAL 46 N -2.25 0.44 -0.26 1.68 1.01 0.38 -4.80 120.40 116.59 1sg5 s VAL 46 Ca 0.21 -0.08 -0.14 0.00 0.00 0.00 0.00 61.98 61.97 1sg5 s VAL 46 Cb -0.05 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 1sg5 s VAL 46 CO 0.09 0.19 0.34 -0.94 0.00 0.00 0.00 175.10 174.79 1sg5 s SER 47 N 0.81 6.23 0.50 3.32 1.04 -1.26 -0.84 113.70 123.50 1sg5 s SER 47 Ca -0.10 0.26 -0.19 0.00 0.48 0.00 0.00 55.95 56.40 1sg5 s SER 47 Cb -0.13 -2.19 -0.08 0.00 0.10 0.00 0.00 66.02 63.71 1sg5 s SER 47 CO -0.00 -0.14 1.03 -0.13 0.98 0.00 0.00 173.24 174.97 1sg5 s ARG 48 N 1.91 3.79 0.62 4.02 0.52 0.81 -4.91 118.95 125.71 1sg5 s ARG 48 Ca 0.14 1.27 0.32 0.00 -0.52 0.00 0.00 55.73 56.94 1sg5 s ARG 48 Cb -0.16 -2.10 1.80 0.00 0.52 0.00 0.00 34.95 35.02 1sg5 s ARG 48 CO 0.10 -0.43 2.11 1.57 0.02 0.00 0.00 175.30 178.67 1sg5 h LYS 49 N 1.38 0.00 0.00 3.54 -0.00 -2.03 -1.62 116.57 117.84 1sg5 h LYS 49 Ca -0.49 0.00 -0.17 0.00 -0.00 0.00 0.00 60.65 59.99 1sg5 h LYS 49 Cb 1.21 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 33.41 1sg5 h LYS 49 CO 0.59 0.00 -2.09 0.09 -0.00 0.00 0.00 179.45 178.04 1sg5 n ASN 50 N -3.45 0.43 0.00 7.07 3.02 -1.26 -4.33 115.26 116.75 1sg5 n ASN 50 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1sg5 n ASN 50 Cb 0.30 1.44 0.00 0.00 -0.61 0.00 0.00 39.78 40.91 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 -2.44 0.00 -3.75 2.41 0.24 -0.61 -4.74 118.33 109.44 1sg5 n VAL 51 Ca -0.17 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 61.99 1sg5 n VAL 51 Cb 0.81 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 33.03 1sg5 n VAL 51 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1sg5 s GLU 52 N 2.97 0.05 0.15 7.34 2.02 -1.26 -0.13 118.70 129.83 1sg5 s GLU 52 Ca 0.00 0.32 0.06 0.00 0.02 0.00 0.00 54.97 55.36 1sg5 s GLU 52 Cb 0.00 -0.21 -0.04 0.00 0.10 0.00 0.00 34.13 33.98 1sg5 s GLU 52 CO 0.00 -0.17 -0.13 1.52 0.02 0.00 0.00 175.26 176.50 1sg5 s TYR 53 N 1.17 1.41 0.02 1.61 1.13 -0.02 -4.46 117.35 118.22 1sg5 s TYR 53 Ca -0.09 -0.63 -0.04 0.00 -1.41 0.00 0.00 57.07 54.90 1sg5 s TYR 53 Cb -0.12 -0.71 -0.04 0.00 -1.10 0.00 0.00 41.96 39.98 1sg5 s TYR 53 CO -0.05 0.17 0.24 -0.51 -2.51 0.00 0.00 175.55 172.89 1sg5 s LEU 54 N -2.90 4.36 -0.20 -3.49 2.01 -1.18 -0.47 118.68 116.82 1sg5 s LEU 54 Ca 0.15 0.46 -0.01 0.00 0.01 0.00 0.00 54.13 54.74 1sg5 s LEU 54 Cb -0.01 -2.74 0.05 0.00 0.01 0.00 0.00 46.19 43.50 1sg5 s LEU 54 CO 0.03 0.23 -0.02 0.68 1.01 0.00 0.00 176.35 178.27 1sg5 s VAL 55 N -1.36 1.07 -0.06 -1.59 -7.23 0.11 -1.89 120.40 109.45 1sg5 s VAL 55 Ca 0.29 -0.82 -0.00 0.00 -1.81 0.00 0.00 61.98 59.64 1sg5 s VAL 55 Cb -0.13 -1.39 -0.03 0.00 0.56 0.00 0.00 36.38 35.39 1sg5 s VAL 55 CO 0.19 -0.06 -0.01 0.68 -0.31 0.00 0.00 175.10 175.59 1sg5 s VAL 56 N 1.62 4.18 -0.29 1.32 -7.23 -0.23 -0.41 120.40 119.37 1sg5 s VAL 56 Ca -0.02 -0.38 -0.22 0.00 -1.81 0.00 0.00 61.98 59.55 1sg5 s VAL 56 Cb -0.17 -2.78 -0.01 0.00 0.56 0.00 0.00 36.38 33.98 1sg5 s VAL 56 CO -0.07 0.54 0.71 -0.70 -0.31 0.00 0.00 175.10 175.27 1sg5 s GLU 57 N -1.07 4.00 -0.88 4.82 -6.30 -1.16 -0.21 118.70 117.90 1sg5 s GLU 57 Ca 0.15 0.54 -0.17 0.00 -2.50 0.00 0.00 54.97 52.99 1sg5 s GLU 57 Cb -0.11 -3.70 0.16 0.00 0.00 0.00 0.00 34.13 30.48 1sg5 s GLU 57 CO 0.04 -0.57 0.98 0.00 0.02 0.00 0.00 175.26 175.73 1sg5 s ALA 58 N 2.75 3.64 0.00 6.30 0.00 0.17 -4.40 121.76 130.21 1sg5 s ALA 58 Ca 0.29 -2.96 0.00 0.00 0.00 0.00 0.00 51.96 49.30 1sg5 s ALA 58 Cb -0.15 -3.83 0.00 0.00 0.00 0.00 0.00 23.12 19.14 1sg5 s ALA 58 CO 0.11 -2.70 0.00 0.00 0.00 0.00 0.00 175.76 173.17 1sg5 n ALA 59 N 5.58 0.00 -1.15 0.00 0.00 -1.26 -0.94 120.51 122.74 1sg5 n ALA 59 Ca 0.19 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.64 1sg5 n ALA 59 Cb 0.48 0.00 0.01 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 -0.19 2.90 0.00 0.00 -1.26 -5.05 105.19 101.59 1sg5 n GLY 60 Ca 0.00 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.46 1.08 0.28 1.61 2.02 -0.11 -5.12 118.70 118.00 1sg5 s GLU 61 Ca 0.03 -0.15 -0.30 0.00 0.02 0.00 0.00 54.97 54.58 1sg5 s GLU 61 Cb 0.03 -1.12 -0.11 0.00 0.10 0.00 0.00 34.13 33.04 1sg5 s GLU 61 CO 0.00 -0.14 1.52 0.99 0.02 0.00 0.00 175.26 177.65 1sg5 s THR 62 N 1.23 2.33 0.11 3.63 2.01 -1.26 -0.66 115.64 123.03 1sg5 s THR 62 Ca -0.05 0.28 0.09 0.00 0.31 0.00 0.00 61.69 62.31 1sg5 s THR 62 Cb -0.14 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 1sg5 s THR 62 CO -0.02 0.05 -0.21 -0.13 -0.69 0.00 0.00 174.62 173.61 1sg5 s ARG 63 N -0.56 1.17 -0.29 4.92 3.00 0.70 -4.84 118.95 123.04 1sg5 s ARG 63 Ca 0.61 -1.20 0.03 0.00 0.00 0.00 0.00 55.73 55.16 1sg5 s ARG 63 Cb -0.45 -1.45 0.08 0.00 0.00 0.00 0.00 34.95 33.13 1sg5 s ARG 63 CO 0.47 0.34 -0.02 -1.83 0.00 0.00 0.00 175.30 174.26 1sg5 s GLU 64 N -1.98 1.69 -0.06 3.54 -1.05 -1.26 -1.06 118.70 118.52 1sg5 s GLU 64 Ca 0.08 -1.49 0.04 0.00 -0.15 0.00 0.00 54.97 53.45 1sg5 s GLU 64 Cb -0.10 -2.90 -0.00 0.00 -0.44 0.00 0.00 34.13 30.69 1sg5 s GLU 64 CO 0.05 -0.77 -0.18 -0.51 0.95 0.00 0.00 175.26 174.79 1sg5 s LEU 65 N 1.11 1.92 0.00 1.83 1.43 -0.79 -4.64 118.68 119.53 1sg5 s LEU 65 Ca 0.02 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1sg5 s LEU 65 Cb -0.19 -1.07 0.00 0.00 0.03 0.00 0.00 46.19 44.96 1sg5 s LEU 65 CO -0.08 0.15 0.00 0.54 0.23 0.00 0.00 176.35 177.19 1sg5 n ARG 66 N 3.25 0.00 0.08 1.70 1.74 -1.26 -3.10 116.66 119.07 1sg5 n ARG 66 Ca -0.19 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.01 1sg5 n ARG 66 Cb 0.53 0.00 0.46 0.00 -1.02 0.00 0.00 32.46 32.43 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 0.53 -0.65 0.55 -0.00 -1.26 -2.86 117.00 113.31 1sg5 n LEU 67 Ca 0.00 0.58 0.06 0.00 -0.00 0.00 0.00 56.01 56.64 1sg5 n LEU 67 Cb 0.00 -0.44 0.16 0.00 -0.00 0.00 0.00 43.42 43.14 1sg5 n LEU 67 CO 0.00 -0.25 0.64 0.47 -0.00 0.00 0.00 177.39 178.24 1sg5 n ASP 68 N -2.02 3.05 -3.15 1.45 8.00 -1.26 -5.00 116.55 117.62 1sg5 n ASP 68 Ca 0.05 -2.19 -0.06 0.00 0.71 0.00 0.00 54.79 53.30 1sg5 n ASP 68 Cb 0.33 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 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 0.26 -1.51 -2.36 -1.24 5.02 -1.13 -4.88 118.16 112.32 1sg5 n LYS 69 Ca 0.13 1.47 -0.42 0.00 -2.02 0.00 0.00 58.31 57.48 1sg5 n LYS 69 Cb 0.50 -5.17 -0.03 0.00 -0.02 0.00 0.00 35.03 30.31 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 3.77 0.04 -0.18 1.10 -1.26 -4.67 121.20 117.09 1sg5 s ILE 70 Ca 0.04 1.33 -0.09 0.00 -0.51 0.00 0.00 60.65 61.43 1sg5 s ILE 70 Cb -0.01 -3.85 -0.02 0.00 0.15 0.00 0.00 42.46 38.73 1sg5 s ILE 70 CO 0.78 0.13 0.69 0.41 -2.11 0.00 0.00 174.94 174.84 1sg5 n THR 71 N 3.53 -0.19 -3.65 4.00 -1.04 -1.26 -2.63 114.28 113.04 1sg5 n THR 71 Ca 0.08 1.06 -0.15 0.00 -2.04 0.00 0.00 64.05 63.00 1sg5 n THR 71 Cb 0.45 -1.35 -0.07 0.00 -1.82 0.00 0.00 70.33 67.54 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 -4.18 -0.43 -0.03 8.00 1.04 -1.01 -1.59 113.70 115.50 1sg5 s SER 72 Ca -0.03 0.45 -0.01 0.00 0.48 0.00 0.00 55.95 56.84 1sg5 s SER 72 Cb 0.03 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.65 1sg5 s SER 72 CO 0.17 -0.50 0.03 0.72 0.98 0.00 0.00 173.24 174.64 1sg5 s PHE 73 N -1.15 0.11 0.11 5.02 -0.12 -0.59 -0.36 117.98 121.00 1sg5 s PHE 73 Ca -0.11 0.13 0.04 0.00 -0.05 0.00 0.00 56.93 56.94 1sg5 s PHE 73 Cb -0.03 -0.35 -0.04 0.00 -0.63 0.00 0.00 43.02 41.97 1sg5 s PHE 73 CO 0.07 -0.13 0.09 0.45 -0.05 0.00 0.00 175.22 175.64 1sg5 s SER 74 N 1.39 5.44 -0.06 1.98 0.15 0.48 -1.17 113.70 121.91 1sg5 s SER 74 Ca -0.05 -0.08 0.03 0.00 0.70 0.00 0.00 55.95 56.55 1sg5 s SER 74 Cb -0.13 -1.42 0.01 0.00 -1.71 0.00 0.00 66.02 62.77 1sg5 s SER 74 CO -0.03 0.13 -0.15 -1.00 1.20 0.00 0.00 173.24 173.40 1sg5 s HIS 75 N -1.51 1.65 -0.48 3.44 0.09 0.11 -2.03 115.29 116.55 1sg5 s HIS 75 Ca 0.29 -0.57 -0.44 0.00 -0.00 0.00 0.00 55.06 54.35 1sg5 s HIS 75 Cb -0.11 -1.15 -0.18 0.00 -0.00 0.00 0.00 32.58 31.13 1sg5 s HIS 75 CO 0.22 -0.25 2.05 -2.30 -0.00 0.00 0.00 174.74 174.47 1sg5 n PRO 76 N 3.53 0.13 -2.26 8.40 -0.02 -1.26 0.30 135.00 143.82 1sg5 n PRO 76 Ca -0.21 0.04 -0.21 0.00 -2.02 0.00 0.00 63.50 61.10 1sg5 n PRO 76 Cb 0.52 -1.60 -0.02 0.00 -0.02 0.00 0.00 33.50 32.38 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 6.99 -1.65 0.05 -0.52 -0.58 -1.26 -4.84 120.64 118.84 1sg5 n GLU 77 Ca 0.49 1.05 0.00 0.00 -0.42 0.00 0.00 57.16 58.29 1sg5 n GLU 77 Cb -0.01 -5.67 0.00 0.00 -0.57 0.00 0.00 31.44 25.19 1sg5 n GLU 77 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1sg5 n ILE 78 N -3.72 1.02 -0.27 -3.67 2.08 0.15 -5.17 119.36 109.79 1sg5 n ILE 78 Ca -0.24 0.34 0.00 0.00 0.56 0.00 0.00 62.75 63.41 1sg5 n ILE 78 Cb 0.69 -1.46 0.00 0.00 -0.75 0.00 0.00 39.64 38.12 1sg5 n ILE 78 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1sg5 n GLY 79 N 3.39 -1.93 3.22 7.39 0.00 -1.06 -4.96 105.19 111.24 1sg5 n GLY 79 Ca 0.00 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.86 1.97 -0.15 2.61 -1.32 -1.26 -0.71 115.64 114.93 1sg5 s THR 80 Ca 0.00 -0.99 0.00 0.00 -1.21 0.00 0.00 61.69 59.49 1sg5 s THR 80 Cb 0.00 -1.69 -0.00 0.00 -1.51 0.00 0.00 72.50 69.29 1sg5 s THR 80 CO 0.00 0.54 -0.15 -0.69 -2.21 0.00 0.00 174.62 172.12 1sg5 s VAL 81 N 0.14 2.74 -0.11 5.08 1.01 -0.32 -4.84 120.40 124.11 1sg5 s VAL 81 Ca -0.12 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 1sg5 s VAL 81 Cb -0.16 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1sg5 s VAL 81 CO 0.06 0.51 0.04 -0.69 0.00 0.00 0.00 175.10 175.03 1sg5 s VAL 82 N 0.73 4.67 0.00 2.92 1.01 -1.22 -1.54 120.40 126.96 1sg5 s VAL 82 Ca -0.06 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1sg5 s VAL 82 Cb -0.15 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1sg5 s VAL 82 CO 0.01 0.59 0.00 0.55 0.00 0.00 0.00 175.10 176.25 1sg5 n VAL 83 N 2.29 0.00 -0.33 2.92 3.14 -0.62 -4.07 118.33 121.66 1sg5 n VAL 83 Ca -0.19 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.19 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 -0.24 -6.46 0.00 0.00 176.83 170.13 1sg5 n SER 84 N 0.41 -1.13 -4.67 6.55 2.88 -1.22 -4.84 113.62 111.60 1sg5 n SER 84 Ca 0.00 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 57.09 1sg5 n SER 84 Cb 0.00 -0.57 -0.03 0.00 -0.75 0.00 0.00 64.21 62.87 1sg5 n SER 84 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1sg5 n GLU 85 N 1.30 2.02 -0.50 -1.46 0.00 -0.79 -4.99 120.64 116.23 1sg5 n GLU 85 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 57.16 57.88 1sg5 n GLU 85 Cb 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 31.44 29.06 1sg5 n GLU 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58