#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 5.73 0.92 6.12 0.01 -1.26 -5.12 113.70 120.11 1sg5 s SER 2 Ca 0.00 0.12 -0.13 0.00 1.31 0.00 0.00 55.95 57.26 1sg5 s SER 2 Cb 0.00 -1.64 0.20 0.00 0.21 0.00 0.00 66.02 64.79 1sg5 s SER 2 CO 0.00 0.23 1.27 -0.04 0.41 0.00 0.00 173.24 175.11 1sg5 s MET 3 N -2.00 0.74 -0.22 12.44 1.00 -1.26 -5.11 119.30 124.89 1sg5 s MET 3 Ca 0.26 -0.63 -0.22 0.00 0.00 0.00 0.00 55.69 55.10 1sg5 s MET 3 Cb -0.12 -1.95 0.06 0.00 0.00 0.00 0.00 34.83 32.82 1sg5 s MET 3 CO 0.18 -2.28 0.62 -0.80 0.00 0.00 0.00 175.02 172.73 1sg5 s ASN 4 N -4.89 -0.64 -0.37 3.03 -0.87 -1.26 -5.12 114.94 104.82 1sg5 s ASN 4 Ca 0.73 1.21 0.02 0.00 -1.57 0.00 0.00 52.86 53.25 1sg5 s ASN 4 Cb -0.03 1.22 0.15 0.00 -0.02 0.00 0.00 41.25 42.57 1sg5 s ASN 4 CO 0.51 -0.24 0.29 -1.81 -2.57 0.00 0.00 177.10 173.29 1sg5 s ASP 5 N 0.24 2.13 -0.47 -1.22 1.01 -1.26 -5.01 116.67 112.09 1sg5 s ASP 5 Ca -0.01 -2.30 0.06 0.00 0.71 0.00 0.00 52.55 51.02 1sg5 s ASP 5 Cb -0.04 -0.18 0.25 0.00 1.01 0.00 0.00 42.92 43.96 1sg5 s ASP 5 CO 0.01 -0.26 0.84 0.41 0.21 0.00 0.00 175.17 176.39 1sg5 n THR 6 N 3.74 -0.11 -2.66 -1.27 -1.04 -1.26 -5.10 114.28 106.59 1sg5 n THR 6 Ca 0.17 -1.90 -0.42 0.00 -2.04 0.00 0.00 64.05 59.86 1sg5 n THR 6 Cb 0.42 0.97 -0.03 0.00 -1.82 0.00 0.00 70.33 69.86 1sg5 n THR 6 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1sg5 s TYR 7 N 0.37 2.48 -0.27 -1.42 2.02 -1.26 -5.00 117.35 114.27 1sg5 s TYR 7 Ca 0.32 -0.09 -0.11 0.00 -0.37 0.00 0.00 57.07 56.83 1sg5 s TYR 7 Cb 0.22 -4.48 -0.05 0.00 -0.40 0.00 0.00 41.96 37.26 1sg5 s TYR 7 CO -0.22 -1.83 0.17 -0.65 -1.57 0.00 0.00 175.55 171.46 1sg5 s GLN 8 N 5.04 3.96 0.61 -0.62 1.11 -1.26 -4.51 119.66 123.99 1sg5 s GLN 8 Ca 0.33 -0.32 0.39 0.00 0.01 0.00 0.00 55.36 55.77 1sg5 s GLN 8 Cb -0.10 -3.61 1.97 0.00 -1.01 0.00 0.00 33.01 30.26 1sg5 s GLN 8 CO 0.16 -0.13 2.21 -1.35 0.01 0.00 0.00 175.29 176.20 1sg5 h PRO 9 N 8.17 0.00 0.00 2.91 0.11 -1.89 -3.42 132.00 137.88 1sg5 h PRO 9 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1sg5 h PRO 9 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1sg5 h PRO 9 CO 0.58 0.01 0.00 -0.89 -0.21 0.00 0.00 178.00 177.49 1sg5 n ILE 10 N -3.14 0.00 -2.70 4.15 5.41 -1.26 -3.05 119.36 118.76 1sg5 n ILE 10 Ca -0.02 0.00 -0.36 0.00 1.00 0.00 0.00 62.75 63.37 1sg5 n ILE 10 Cb 0.17 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.04 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 -0.82 7.09 0.54 4.38 0.01 -1.26 -4.02 114.94 120.85 1sg5 s ASN 11 Ca 0.00 1.89 0.01 0.00 -0.71 0.00 0.00 52.86 54.05 1sg5 s ASN 11 Cb 0.00 -2.58 0.08 0.00 0.41 0.00 0.00 41.25 39.16 1sg5 s ASN 11 CO 0.00 -0.25 0.56 0.00 -1.51 0.00 0.00 177.10 175.90 1sg5 h ASP 13 N -0.26 -0.30 0.04 0.00 3.04 -1.99 -3.14 116.42 113.80 1sg5 h ASP 13 Ca -0.19 0.01 -0.13 0.00 -3.24 0.00 0.00 57.03 53.49 1sg5 h ASP 13 Cb 0.72 0.08 -0.01 0.00 -1.04 0.00 0.00 39.33 39.08 1sg5 h ASP 13 CO 0.21 -0.08 -0.65 -2.24 -2.04 0.00 0.00 179.24 174.44 1sg5 h ASP 14 N -0.63 0.13 -0.23 4.15 2.03 -2.01 -3.33 116.42 116.54 1sg5 h ASP 14 Ca -0.04 -0.85 0.07 0.00 -0.73 0.00 0.00 57.03 55.48 1sg5 h ASP 14 Cb 0.28 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 38.72 1sg5 h ASP 14 CO 0.06 1.28 0.48 1.88 -1.03 0.00 0.00 179.24 181.91 1sg5 h TYR 15 N -0.79 0.00 0.06 4.15 -1.99 -1.99 0.51 116.97 116.91 1sg5 h TYR 15 Ca -0.15 0.00 -0.24 0.00 2.00 0.00 0.00 58.73 60.34 1sg5 h TYR 15 Cb 1.29 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 40.02 1sg5 h TYR 15 CO 0.20 0.00 -1.06 0.22 -0.00 0.00 0.00 178.16 177.52 1sg5 h ASP 16 N 0.00 0.40 0.25 3.88 3.58 -1.65 -1.38 116.42 121.50 1sg5 h ASP 16 Ca 0.11 -0.38 -0.34 0.00 0.42 0.00 0.00 57.03 56.85 1sg5 h ASP 16 Cb 1.08 -0.13 0.04 0.00 1.72 0.00 0.00 39.33 42.04 1sg5 h ASP 16 CO -0.00 1.23 -1.51 0.78 -2.88 0.00 0.00 179.24 176.86 1sg5 h ASN 17 N 0.13 0.82 0.55 2.28 -0.26 -0.15 -2.37 115.58 116.57 1sg5 h ASN 17 Ca -0.09 -0.92 -0.29 0.00 -0.56 0.00 0.00 56.30 54.44 1sg5 h ASN 17 Cb 1.75 -0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 38.71 1sg5 h ASN 17 CO 0.17 1.72 -1.55 0.25 -1.06 0.00 0.00 177.43 176.97 1sg5 h LEU 18 N 0.13 0.14 0.11 1.61 5.85 -1.39 -2.84 115.31 118.93 1sg5 h LEU 18 Ca -0.27 -0.24 -0.23 0.00 0.84 0.00 0.00 57.88 57.99 1sg5 h LEU 18 Cb 2.16 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 43.15 1sg5 h LEU 18 CO 0.26 1.20 -1.13 -0.33 -0.34 0.00 0.00 178.44 178.11 1sg5 h GLU 19 N 0.03 0.24 -0.11 1.25 4.39 -1.41 -1.68 114.58 117.28 1sg5 h GLU 19 Ca -0.23 -0.41 -0.15 0.00 0.34 0.00 0.00 59.36 58.91 1sg5 h GLU 19 Cb 1.97 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 30.76 1sg5 h GLU 19 CO 0.11 1.19 -0.59 1.25 -1.16 0.00 0.00 179.01 179.82 1sg5 h LEU 20 N -0.40 0.41 0.00 1.33 7.12 -1.50 0.94 115.31 123.21 1sg5 h LEU 20 Ca -0.24 -0.23 -0.00 0.00 0.13 0.00 0.00 57.88 57.54 1sg5 h LEU 20 Cb 1.66 -0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 41.67 1sg5 h LEU 20 CO 0.07 0.90 -0.06 0.00 -0.13 0.00 0.00 178.44 179.23 1sg5 h ALA 21 N 1.10 0.00 0.19 1.25 0.00 -1.62 0.25 119.26 120.44 1sg5 h ALA 21 Ca -0.00 -0.16 -0.33 0.00 0.00 0.00 0.00 54.91 54.42 1sg5 h ALA 21 Cb 1.11 0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.96 1sg5 h ALA 21 CO 0.10 0.05 -1.52 0.00 0.00 0.00 0.00 179.25 177.87 1sg5 h GLN 23 N 0.11 0.26 0.00 0.00 4.20 -0.30 -3.39 115.11 116.00 1sg5 h GLN 23 Ca -0.26 -0.45 -0.35 0.00 0.06 0.00 0.00 58.65 57.66 1sg5 h GLN 23 Cb 2.10 0.17 -0.07 0.00 0.30 0.00 0.00 27.48 29.98 1sg5 h GLN 23 CO 0.22 1.13 -2.30 0.72 -0.67 0.00 0.00 178.83 177.93 1sg5 n HIS 24 N -3.46 0.00 -3.65 2.96 8.25 0.29 -4.88 115.22 114.73 1sg5 n HIS 24 Ca -0.17 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.07 1sg5 n HIS 24 Cb 1.05 -0.93 0.04 0.00 1.12 0.00 0.00 29.99 31.26 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 -2.73 -1.96 0.00 4.41 -0.00 0.87 -3.06 115.22 112.75 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 -4.30 0.00 0.00 -0.12 0.00 0.00 29.99 26.68 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 -4.17 0.00 -4.59 0.27 7.99 -1.08 -4.84 117.00 110.57 1sg5 n LEU 26 Ca -0.26 0.00 -0.42 0.00 -0.01 0.00 0.00 56.01 55.32 1sg5 n LEU 26 Cb 0.66 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.95 1sg5 n LEU 26 CO 0.67 0.00 1.42 -0.04 -1.51 0.00 0.00 177.39 177.93 1sg5 s MET 27 N 0.00 3.34 0.25 3.23 -1.94 -1.17 -4.17 119.30 118.83 1sg5 s MET 27 Ca 0.00 1.10 0.12 0.00 -1.71 0.00 0.00 55.69 55.19 1sg5 s MET 27 Cb 0.00 -4.15 -0.05 0.00 2.01 0.00 0.00 34.83 32.64 1sg5 s MET 27 CO 0.00 -1.86 -0.19 -0.48 -0.01 0.00 0.00 175.02 172.48 1sg5 s LEU 28 N 6.56 2.61 -0.32 -0.03 2.34 -1.02 -4.84 118.68 123.98 1sg5 s LEU 28 Ca 0.70 -0.94 -0.04 0.00 0.06 0.00 0.00 54.13 53.91 1sg5 s LEU 28 Cb -0.17 -1.19 0.05 0.00 -0.56 0.00 0.00 46.19 44.31 1sg5 s LEU 28 CO 0.31 0.06 0.04 -0.89 -1.06 0.00 0.00 176.35 174.81 1sg5 s THR 29 N -2.24 3.29 -0.08 5.48 2.01 -0.67 -0.56 115.64 122.88 1sg5 s THR 29 Ca 0.27 -1.29 -0.17 0.00 0.31 0.00 0.00 61.69 60.81 1sg5 s THR 29 Cb -0.06 -2.88 -0.05 0.00 0.01 0.00 0.00 72.50 69.52 1sg5 s THR 29 CO 0.14 -0.14 0.45 -0.22 -0.69 0.00 0.00 174.62 174.16 1sg5 s LEU 30 N 1.31 4.35 0.04 4.42 2.96 0.11 -0.11 118.68 131.75 1sg5 s LEU 30 Ca -0.04 0.86 0.04 0.00 -0.22 0.00 0.00 54.13 54.78 1sg5 s LEU 30 Cb -0.20 -2.66 -0.02 0.00 0.50 0.00 0.00 46.19 43.82 1sg5 s LEU 30 CO 0.00 0.11 -0.12 -1.83 -1.32 0.00 0.00 176.35 173.19 1sg5 s GLU 31 N 0.03 0.83 0.25 1.98 -1.05 0.03 -0.51 118.70 120.26 1sg5 s GLU 31 Ca 0.25 -0.72 0.10 0.00 -0.15 0.00 0.00 54.97 54.45 1sg5 s GLU 31 Cb -0.16 -0.80 -0.05 0.00 -0.44 0.00 0.00 34.13 32.68 1sg5 s GLU 31 CO 0.11 0.19 -0.17 -0.51 0.95 0.00 0.00 175.26 175.84 1sg5 s LEU 32 N -1.15 2.58 0.44 1.83 1.43 -0.94 -2.50 118.68 120.37 1sg5 s LEU 32 Ca -0.00 -1.04 0.31 0.00 -1.03 0.00 0.00 54.13 52.37 1sg5 s LEU 32 Cb -0.08 -0.89 1.45 0.00 0.03 0.00 0.00 46.19 46.70 1sg5 s LEU 32 CO 0.01 -0.08 1.61 0.11 0.23 0.00 0.00 176.35 178.23 1sg5 h LYS 33 N 2.39 0.05 -1.26 1.70 1.79 -1.94 1.00 116.57 120.30 1sg5 h LYS 33 Ca -0.39 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.07 1sg5 h LYS 33 Cb 1.24 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1sg5 h LYS 33 CO 0.62 0.04 0.00 -3.47 -1.08 0.00 0.00 179.45 175.55 1sg5 n ASP 34 N -4.72 2.53 -2.35 0.86 2.03 -1.26 -4.74 116.55 108.91 1sg5 n ASP 34 Ca 0.38 -1.64 -0.14 0.00 0.52 0.00 0.00 54.79 53.92 1sg5 n ASP 34 Cb 1.48 -0.44 -0.01 0.00 -0.72 0.00 0.00 41.12 41.44 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 0.67 -0.35 3.78 0.27 0.00 0.34 -4.93 105.19 104.98 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 -4.88 3.44 -0.28 1.61 2.56 -0.81 -4.79 118.70 115.54 1sg5 s GLU 36 Ca 0.00 1.47 -0.08 0.00 0.00 0.00 0.00 54.97 56.36 1sg5 s GLU 36 Cb 0.00 -2.03 0.13 0.00 2.00 0.00 0.00 34.13 34.23 1sg5 s GLU 36 CO 0.00 -0.75 0.60 0.21 -0.56 0.00 0.00 175.26 174.76 1sg5 s LYS 37 N -3.44 0.54 -0.18 4.30 2.20 -1.18 -2.21 119.74 119.77 1sg5 s LYS 37 Ca 0.69 1.31 -0.12 0.00 -0.36 0.00 0.00 55.97 57.49 1sg5 s LYS 37 Cb -0.20 0.72 0.06 0.00 -1.51 0.00 0.00 37.83 36.89 1sg5 s LYS 37 CO 0.27 -0.29 0.46 -0.48 -0.36 0.00 0.00 175.35 174.95 1sg5 s LEU 38 N 2.85 -0.11 0.15 5.43 -0.00 0.33 -4.92 118.68 122.40 1sg5 s LEU 38 Ca -0.01 0.98 -0.12 0.00 -0.00 0.00 0.00 54.13 54.98 1sg5 s LEU 38 Cb -0.13 1.53 -0.07 0.00 -0.00 0.00 0.00 46.19 47.53 1sg5 s LEU 38 CO -0.18 -0.19 0.52 -1.58 -0.00 0.00 0.00 176.35 174.91 1sg5 s GLN 39 N 1.15 3.90 -0.04 1.48 0.74 -1.25 0.08 119.66 125.72 1sg5 s GLN 39 Ca -0.07 0.39 0.01 0.00 0.05 0.00 0.00 55.36 55.73 1sg5 s GLN 39 Cb -0.07 -2.89 0.02 0.00 1.10 0.00 0.00 33.01 31.17 1sg5 s GLN 39 CO -0.10 0.47 -0.03 0.00 -0.55 0.00 0.00 175.29 175.07 1sg5 s ALA 40 N -1.52 0.54 0.27 1.58 0.00 0.28 -4.94 121.76 117.98 1sg5 s ALA 40 Ca 0.39 0.02 -0.28 0.00 0.00 0.00 0.00 51.96 52.09 1sg5 s ALA 40 Cb -0.14 -0.39 -0.09 0.00 0.00 0.00 0.00 23.12 22.50 1sg5 s ALA 40 CO 0.19 -0.04 0.95 0.21 0.00 0.00 0.00 175.76 177.07 1sg5 s LYS 41 N 0.96 4.74 0.49 0.00 2.36 -1.26 -2.44 119.74 124.59 1sg5 s LYS 41 Ca -0.10 1.43 0.00 0.00 -2.55 0.00 0.00 55.97 54.75 1sg5 s LYS 41 Cb -0.14 -3.08 0.00 0.00 -1.05 0.00 0.00 37.83 33.56 1sg5 s LYS 41 CO -0.01 0.42 0.00 0.00 1.55 0.00 0.00 175.35 177.31 1sg5 n ALA 42 N 1.11 -1.87 0.00 3.13 0.00 -1.26 -4.22 120.51 117.40 1sg5 n ALA 42 Ca -0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1sg5 n ALA 42 Cb 0.48 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.29 0.00 -3.67 0.00 3.41 -1.26 -3.01 113.62 107.79 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 63.98 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 0.77 0.21 4.04 1.11 -0.20 -4.76 116.67 117.83 1sg5 s ASP 44 Ca 0.00 -1.46 0.09 0.00 0.18 0.00 0.00 52.55 51.36 1sg5 s ASP 44 Cb 0.00 0.54 -0.05 0.00 1.07 0.00 0.00 42.92 44.48 1sg5 s ASP 44 CO 0.00 -1.07 -0.18 -0.22 1.18 0.00 0.00 175.17 174.88 1sg5 s LEU 45 N -3.22 2.51 0.02 1.23 0.20 -1.26 0.06 118.68 118.22 1sg5 s LEU 45 Ca 0.35 -0.95 0.00 0.00 0.69 0.00 0.00 54.13 54.22 1sg5 s LEU 45 Cb 0.03 -0.88 -0.02 0.00 -0.43 0.00 0.00 46.19 44.88 1sg5 s LEU 45 CO 0.18 -0.04 -0.03 -0.69 -0.29 0.00 0.00 176.35 175.48 1sg5 s VAL 46 N -2.40 0.12 0.13 1.68 1.01 0.96 -4.82 120.40 117.08 1sg5 s VAL 46 Ca 0.22 -0.91 -0.24 0.00 0.00 0.00 0.00 61.98 61.05 1sg5 s VAL 46 Cb -0.04 -0.26 -0.07 0.00 0.00 0.00 0.00 36.38 36.00 1sg5 s VAL 46 CO 0.09 -0.50 0.74 -0.94 0.00 0.00 0.00 175.10 174.49 1sg5 s SER 47 N -1.45 7.31 -0.41 3.32 1.04 -1.26 -0.22 113.70 122.03 1sg5 s SER 47 Ca -0.16 1.55 -0.03 0.00 0.48 0.00 0.00 55.95 57.80 1sg5 s SER 47 Cb -0.10 -2.47 0.11 0.00 0.10 0.00 0.00 66.02 63.66 1sg5 s SER 47 CO -0.01 0.20 0.20 -0.60 0.98 0.00 0.00 173.24 174.01 1sg5 s ARG 48 N -1.00 2.02 0.95 4.02 3.52 0.69 -4.80 118.95 124.34 1sg5 s ARG 48 Ca 0.35 -1.81 0.00 0.00 -0.13 0.00 0.00 55.73 54.14 1sg5 s ARG 48 Cb -0.22 -3.59 0.00 0.00 -1.56 0.00 0.00 34.95 29.58 1sg5 s ARG 48 CO 0.25 -1.07 0.00 1.63 -0.81 0.00 0.00 175.30 175.30 1sg5 n LYS 49 N 4.60 0.00 0.00 5.12 5.02 -1.26 0.16 118.16 131.80 1sg5 n LYS 49 Ca -0.03 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.36 1sg5 n LYS 49 Cb 0.41 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.47 1sg5 n LYS 49 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1sg5 n ASN 50 N 2.60 2.33 -0.18 4.39 3.02 -1.26 -5.01 115.26 121.15 1sg5 n ASN 50 Ca 0.00 -1.66 0.00 0.00 -0.03 0.00 0.00 54.58 52.89 1sg5 n ASN 50 Cb 0.00 0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 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 0.64 0.00 -3.70 2.41 0.24 0.41 -4.72 118.33 113.61 1sg5 n VAL 51 Ca 0.10 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.24 1sg5 n VAL 51 Cb 0.46 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.68 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 0.67 0.03 0.19 7.34 2.02 -1.26 -0.22 118.70 127.47 1sg5 s GLU 52 Ca 0.00 0.45 0.11 0.00 0.02 0.00 0.00 54.97 55.55 1sg5 s GLU 52 Cb 0.00 -0.27 -0.04 0.00 0.10 0.00 0.00 34.13 33.92 1sg5 s GLU 52 CO 0.00 -0.25 -0.23 1.52 0.02 0.00 0.00 175.26 176.32 1sg5 s TYR 53 N 1.81 2.34 0.05 1.61 1.13 0.70 -4.21 117.35 120.78 1sg5 s TYR 53 Ca -0.02 -0.34 -0.06 0.00 -1.41 0.00 0.00 57.07 55.24 1sg5 s TYR 53 Cb -0.12 -1.17 -0.05 0.00 -1.10 0.00 0.00 41.96 39.52 1sg5 s TYR 53 CO -0.05 0.49 0.29 -1.17 -2.51 0.00 0.00 175.55 172.60 1sg5 s LEU 54 N -2.63 4.34 -0.22 -3.49 0.20 -1.02 -0.03 118.68 115.84 1sg5 s LEU 54 Ca 0.21 0.54 -0.01 0.00 0.69 0.00 0.00 54.13 55.56 1sg5 s LEU 54 Cb -0.08 -2.88 0.06 0.00 -0.43 0.00 0.00 46.19 42.86 1sg5 s LEU 54 CO 0.10 0.19 -0.01 0.68 -0.29 0.00 0.00 176.35 177.02 1sg5 s VAL 55 N -1.41 1.12 -0.06 1.68 -7.23 0.11 -1.77 120.40 112.83 1sg5 s VAL 55 Ca 0.32 -0.97 -0.00 0.00 -1.81 0.00 0.00 61.98 59.51 1sg5 s VAL 55 Cb -0.13 -1.50 -0.03 0.00 0.56 0.00 0.00 36.38 35.28 1sg5 s VAL 55 CO 0.20 -0.16 -0.02 0.68 -0.31 0.00 0.00 175.10 175.49 1sg5 s VAL 56 N 1.58 4.11 -0.31 1.32 -7.23 -0.56 -1.04 120.40 118.28 1sg5 s VAL 56 Ca -0.03 -0.39 -0.22 0.00 -1.81 0.00 0.00 61.98 59.53 1sg5 s VAL 56 Cb -0.18 -2.74 -0.00 0.00 0.56 0.00 0.00 36.38 34.01 1sg5 s VAL 56 CO -0.07 0.55 0.71 -0.70 -0.31 0.00 0.00 175.10 175.27 1sg5 s GLU 57 N -1.02 3.93 -0.71 4.82 -6.30 -1.17 -0.38 118.70 117.88 1sg5 s GLU 57 Ca 0.14 0.44 -0.16 0.00 -2.50 0.00 0.00 54.97 52.89 1sg5 s GLU 57 Cb -0.11 -3.73 0.16 0.00 0.00 0.00 0.00 34.13 30.45 1sg5 s GLU 57 CO 0.04 -0.62 0.73 0.00 0.02 0.00 0.00 175.26 175.43 1sg5 s ALA 58 N 2.77 3.71 0.00 6.30 0.00 0.51 -4.38 121.76 130.67 1sg5 s ALA 58 Ca 0.29 -2.77 0.00 0.00 0.00 0.00 0.00 51.96 49.48 1sg5 s ALA 58 Cb -0.15 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1sg5 s ALA 58 CO 0.12 -2.33 0.00 0.00 0.00 0.00 0.00 175.76 173.55 1sg5 n ALA 59 N 5.25 0.00 -1.86 0.00 0.00 -1.26 -0.77 120.51 121.87 1sg5 n ALA 59 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.50 1sg5 n ALA 59 Cb 0.44 0.00 0.05 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 1.98 2.99 0.00 0.00 -1.26 -5.04 105.19 103.86 1sg5 n GLY 60 Ca 0.00 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.92 0.15 0.41 1.61 2.02 0.05 -5.15 118.70 116.88 1sg5 s GLU 61 Ca 0.17 0.57 -0.25 0.00 0.02 0.00 0.00 54.97 55.49 1sg5 s GLU 61 Cb 0.17 -0.13 -0.08 0.00 0.10 0.00 0.00 34.13 34.19 1sg5 s GLU 61 CO -0.03 -0.22 1.18 0.95 0.02 0.00 0.00 175.26 177.16 1sg5 s THR 62 N 1.72 3.09 0.07 3.63 -4.23 -1.26 -0.37 115.64 118.29 1sg5 s THR 62 Ca -0.05 0.90 0.04 0.00 -1.18 0.00 0.00 61.69 61.41 1sg5 s THR 62 Cb -0.11 -3.50 -0.03 0.00 1.34 0.00 0.00 72.50 70.19 1sg5 s THR 62 CO -0.08 0.08 -0.12 -0.13 -0.54 0.00 0.00 174.62 173.82 1sg5 s ARG 63 N -2.35 0.78 -0.36 3.99 1.81 0.49 -4.84 118.95 118.48 1sg5 s ARG 63 Ca 0.58 -0.97 -0.03 0.00 -1.72 0.00 0.00 55.73 53.59 1sg5 s ARG 63 Cb -0.31 -0.69 0.08 0.00 -0.45 0.00 0.00 34.95 33.58 1sg5 s ARG 63 CO 0.39 0.14 0.11 -1.21 -0.68 0.00 0.00 175.30 174.06 1sg5 s GLU 64 N -1.95 2.21 -0.07 3.54 8.01 -1.26 -1.50 118.70 127.68 1sg5 s GLU 64 Ca -0.01 -1.55 0.05 0.00 0.01 0.00 0.00 54.97 53.46 1sg5 s GLU 64 Cb -0.08 -3.41 -0.00 0.00 -4.31 0.00 0.00 34.13 26.32 1sg5 s GLU 64 CO 0.02 -0.86 -0.21 -0.51 0.01 0.00 0.00 175.26 173.70 1sg5 s LEU 65 N 1.20 1.98 0.00 1.80 2.01 -0.73 -4.60 118.68 120.34 1sg5 s LEU 65 Ca 0.02 -0.46 0.00 0.00 0.01 0.00 0.00 54.13 53.71 1sg5 s LEU 65 Cb -0.21 -1.21 0.00 0.00 0.01 0.00 0.00 46.19 44.78 1sg5 s LEU 65 CO -0.02 0.17 0.00 0.54 1.01 0.00 0.00 176.35 178.05 1sg5 n ARG 66 N 3.25 0.00 0.09 1.70 3.00 -1.26 -2.43 116.66 121.02 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 0.52 0.00 0.45 0.00 0.00 0.00 0.00 32.46 33.44 1sg5 n ARG 66 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1sg5 n LEU 67 N 0.00 0.59 -0.63 0.55 -0.00 -1.26 -2.56 117.00 113.68 1sg5 n LEU 67 Ca 0.00 0.59 0.06 0.00 -0.00 0.00 0.00 56.01 56.66 1sg5 n LEU 67 Cb 0.00 -0.45 0.16 0.00 -0.00 0.00 0.00 43.42 43.13 1sg5 n LEU 67 CO 0.00 -0.30 0.63 -0.90 -0.00 0.00 0.00 177.39 176.82 1sg5 n ASP 68 N -2.09 3.03 -3.11 1.45 5.68 -1.26 -5.00 116.55 115.24 1sg5 n ASP 68 Ca 0.04 -2.20 -0.03 0.00 -0.50 0.00 0.00 54.79 52.10 1sg5 n ASP 68 Cb 0.32 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 1sg5 n ASP 68 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1sg5 n LYS 69 N 0.23 -1.43 -2.38 0.11 5.02 -1.06 -4.90 118.16 113.75 1sg5 n LYS 69 Ca 0.13 1.48 -0.42 0.00 -2.02 0.00 0.00 58.31 57.48 1sg5 n LYS 69 Cb 0.50 -5.42 -0.03 0.00 -0.02 0.00 0.00 35.03 30.06 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 -2.95 3.75 0.03 -0.18 1.10 -1.26 -4.72 121.20 116.96 1sg5 s ILE 70 Ca 0.02 1.36 -0.05 0.00 -0.51 0.00 0.00 60.65 61.48 1sg5 s ILE 70 Cb -0.01 -3.87 -0.01 0.00 0.15 0.00 0.00 42.46 38.72 1sg5 s ILE 70 CO 0.77 0.16 0.52 0.41 -2.11 0.00 0.00 174.94 174.69 1sg5 n THR 71 N 3.19 -0.11 -3.44 4.00 -1.04 -1.26 -2.50 114.28 113.12 1sg5 n THR 71 Ca 0.07 0.79 -0.12 0.00 -2.04 0.00 0.00 64.05 62.75 1sg5 n THR 71 Cb 0.45 -1.02 -0.02 0.00 -1.82 0.00 0.00 70.33 67.92 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 -3.83 -0.54 -0.04 8.00 1.04 -1.04 -1.64 113.70 115.65 1sg5 s SER 72 Ca -0.02 0.05 -0.01 0.00 0.48 0.00 0.00 55.95 56.45 1sg5 s SER 72 Cb 0.02 0.56 0.03 0.00 0.10 0.00 0.00 66.02 66.72 1sg5 s SER 72 CO 0.10 -0.88 0.03 0.72 0.98 0.00 0.00 173.24 174.19 1sg5 s PHE 73 N -3.46 0.23 0.14 5.02 -0.71 -0.40 -0.79 117.98 118.00 1sg5 s PHE 73 Ca 0.01 0.10 0.05 0.00 -1.04 0.00 0.00 56.93 56.05 1sg5 s PHE 73 Cb -0.01 -0.49 -0.04 0.00 -1.21 0.00 0.00 43.02 41.27 1sg5 s PHE 73 CO -0.11 -0.19 0.10 0.45 -1.34 0.00 0.00 175.22 174.13 1sg5 s SER 74 N 1.73 5.41 -0.03 1.98 0.15 0.84 -1.87 113.70 121.92 1sg5 s SER 74 Ca -0.00 -0.13 0.01 0.00 0.70 0.00 0.00 55.95 56.53 1sg5 s SER 74 Cb -0.13 -1.39 0.02 0.00 -1.71 0.00 0.00 66.02 62.81 1sg5 s SER 74 CO -0.03 0.10 -0.02 -2.28 1.20 0.00 0.00 173.24 172.21 1sg5 s HIS 75 N -1.63 0.45 -0.43 3.44 2.46 -0.51 -1.67 115.29 117.41 1sg5 s HIS 75 Ca 0.30 -0.07 -0.44 0.00 0.47 0.00 0.00 55.06 55.31 1sg5 s HIS 75 Cb -0.11 -0.43 -0.18 0.00 -0.13 0.00 0.00 32.58 31.73 1sg5 s HIS 75 CO 0.22 -0.11 1.73 -2.30 -2.47 0.00 0.00 174.74 171.81 1sg5 n PRO 76 N 3.80 0.39 -1.81 2.88 -0.02 -1.26 -0.06 135.00 138.91 1sg5 n PRO 76 Ca -0.23 0.14 -0.20 0.00 -2.02 0.00 0.00 63.50 61.18 1sg5 n PRO 76 Cb 0.53 -1.72 -0.07 0.00 -0.02 0.00 0.00 33.50 32.22 1sg5 n PRO 76 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1sg5 n GLU 77 N 5.00 -1.52 0.01 -0.52 0.28 -1.26 -4.82 120.64 117.81 1sg5 n GLU 77 Ca 0.33 1.14 -0.00 0.00 -0.16 0.00 0.00 57.16 58.47 1sg5 n GLU 77 Cb 0.01 -5.60 -0.00 0.00 1.43 0.00 0.00 31.44 27.28 1sg5 n GLU 77 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1sg5 n ILE 78 N -2.79 0.31 0.00 3.84 2.08 0.92 -5.17 119.36 118.55 1sg5 n ILE 78 Ca -0.21 0.14 0.00 0.00 0.56 0.00 0.00 62.75 63.23 1sg5 n ILE 78 Cb 0.67 -1.21 0.00 0.00 -0.75 0.00 0.00 39.64 38.35 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 3.25 -0.34 3.21 7.39 0.00 -1.04 -4.97 105.19 112.70 1sg5 n GLY 79 Ca -0.00 -1.34 -0.31 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.94 1.99 -0.11 2.61 -1.32 -1.26 -1.42 115.64 114.20 1sg5 s THR 80 Ca 0.00 -0.99 0.04 0.00 -1.21 0.00 0.00 61.69 59.53 1sg5 s THR 80 Cb 0.00 -1.72 0.00 0.00 -1.51 0.00 0.00 72.50 69.27 1sg5 s THR 80 CO 0.00 0.55 -0.23 -0.69 -2.21 0.00 0.00 174.62 172.03 1sg5 s VAL 81 N 0.30 2.07 -0.15 5.08 1.01 -0.78 -4.87 120.40 123.06 1sg5 s VAL 81 Ca -0.17 -1.00 -0.06 0.00 0.00 0.00 0.00 61.98 60.75 1sg5 s VAL 81 Cb -0.17 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 1sg5 s VAL 81 CO 0.08 0.56 0.05 -0.69 0.00 0.00 0.00 175.10 175.09 1sg5 s VAL 82 N 0.48 4.66 0.00 2.92 1.01 -1.22 -1.28 120.40 126.96 1sg5 s VAL 82 Ca -0.15 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1sg5 s VAL 82 Cb -0.17 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1sg5 s VAL 82 CO 0.06 0.51 0.00 0.55 0.00 0.00 0.00 175.10 176.22 1sg5 n VAL 83 N 3.11 0.00 0.00 2.92 3.14 -0.65 -4.03 118.33 122.82 1sg5 n VAL 83 Ca -0.17 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 1sg5 n VAL 83 Cb 0.53 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.31 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 0.69 0.00 -4.38 6.55 2.88 -1.17 -4.62 113.62 113.56 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 0.06 0.00 -0.75 0.00 0.00 64.21 63.52 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 13.66 0.20 -0.48 -1.46 4.71 -1.26 -4.97 120.64 131.04 1sg5 n GLU 85 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 57.16 57.25 1sg5 n GLU 85 Cb 0.00 -1.62 0.00 0.00 -1.01 0.00 0.00 31.44 28.81 1sg5 n GLU 85 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67