#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 6.20 0.00 6.12 0.01 -1.26 -4.93 113.70 119.84 1sg5 s SER 2 Ca 0.00 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.32 1sg5 s SER 2 Cb 0.00 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.42 1sg5 s SER 2 CO 0.00 -0.01 0.00 1.15 0.41 0.00 0.00 173.24 174.79 1sg5 n MET 3 N -0.99 0.00 -2.82 12.44 -0.00 -1.26 -5.16 117.12 119.33 1sg5 n MET 3 Ca -0.08 0.00 -0.14 0.00 -0.00 0.00 0.00 57.70 57.48 1sg5 n MET 3 Cb 0.56 0.00 -0.01 0.00 -0.00 0.00 0.00 33.22 33.77 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 -0.59 2.06 -2.69 3.17 4.13 -1.26 -5.07 115.26 115.00 1sg5 n ASN 4 Ca 0.00 -2.00 0.00 0.00 1.68 0.00 0.00 54.58 54.26 1sg5 n ASN 4 Cb 0.00 0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.26 1sg5 n ASN 4 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1sg5 n ASP 5 N -1.77 0.00 0.00 6.41 5.75 -1.26 -4.93 116.55 120.75 1sg5 n ASP 5 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.75 1sg5 n ASP 5 Cb 0.32 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 1sg5 n ASP 5 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1sg5 n THR 6 N 0.00 0.00 -4.66 2.12 -1.04 -1.26 -5.10 114.28 104.34 1sg5 n THR 6 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 1sg5 n THR 6 Cb 0.00 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.39 1sg5 n THR 6 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 1sg5 s TYR 7 N -0.92 2.85 -0.41 -1.42 -0.85 -1.26 -5.09 117.35 110.25 1sg5 s TYR 7 Ca 0.00 -0.05 -0.26 0.00 -0.52 0.00 0.00 57.07 56.24 1sg5 s TYR 7 Cb 0.00 -1.66 0.02 0.00 0.38 0.00 0.00 41.96 40.70 1sg5 s TYR 7 CO 0.00 0.30 0.93 -1.14 -1.52 0.00 0.00 175.55 174.12 1sg5 s GLN 8 N -0.94 3.71 0.50 -3.49 2.00 -1.26 -4.82 119.66 115.36 1sg5 s GLN 8 Ca 0.13 0.40 0.18 0.00 -2.00 0.00 0.00 55.36 54.07 1sg5 s GLN 8 Cb -0.11 -3.86 1.23 0.00 0.80 0.00 0.00 33.01 31.07 1sg5 s GLN 8 CO 0.03 -1.08 2.07 -1.35 -0.50 0.00 0.00 175.29 174.45 1sg5 h PRO 9 N 8.77 0.11 0.00 1.67 0.11 -1.90 -3.40 132.00 137.36 1sg5 h PRO 9 Ca -0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1sg5 h PRO 9 Cb 1.08 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1sg5 h PRO 9 CO 1.01 0.08 0.00 -0.89 -0.21 0.00 0.00 178.00 177.98 1sg5 n ILE 10 N -4.47 0.00 -3.57 4.15 5.41 -1.26 -3.45 119.36 116.17 1sg5 n ILE 10 Ca 0.03 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.44 1sg5 n ILE 10 Cb 0.28 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.16 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 -1.30 6.63 0.19 4.38 0.01 -1.26 -3.80 114.94 119.79 1sg5 s ASN 11 Ca 0.00 0.79 0.00 0.00 -0.71 0.00 0.00 52.86 52.94 1sg5 s ASN 11 Cb 0.00 -2.18 0.00 0.00 0.41 0.00 0.00 41.25 39.48 1sg5 s ASN 11 CO 0.00 0.15 0.00 0.00 -1.51 0.00 0.00 177.10 175.74 1sg5 h ASP 13 N 0.00 -0.28 0.04 0.00 1.82 -1.99 -3.18 116.42 112.83 1sg5 h ASP 13 Ca 0.00 0.01 -0.10 0.00 -0.39 0.00 0.00 57.03 56.55 1sg5 h ASP 13 Cb 0.00 0.07 -0.00 0.00 0.68 0.00 0.00 39.33 40.08 1sg5 h ASP 13 CO 0.00 -0.06 -0.52 -2.24 -1.61 0.00 0.00 179.24 174.80 1sg5 h ASP 14 N -0.62 0.13 -0.21 2.28 2.03 -2.01 -3.31 116.42 114.71 1sg5 h ASP 14 Ca -0.03 -0.89 0.06 0.00 -0.73 0.00 0.00 57.03 55.44 1sg5 h ASP 14 Cb 0.26 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 38.71 1sg5 h ASP 14 CO 0.06 1.23 0.48 1.88 -1.03 0.00 0.00 179.24 181.85 1sg5 h TYR 15 N -0.81 0.00 0.02 4.15 0.05 -1.98 0.54 116.97 118.94 1sg5 h TYR 15 Ca -0.12 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.45 1sg5 h TYR 15 Cb 1.25 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.98 1sg5 h TYR 15 CO 0.22 0.00 -0.96 0.22 -1.05 0.00 0.00 178.16 176.59 1sg5 h ASP 16 N 0.00 0.22 -0.08 3.88 3.58 -1.64 -1.26 116.42 121.12 1sg5 h ASP 16 Ca 0.10 -0.20 -0.22 0.00 0.42 0.00 0.00 57.03 57.13 1sg5 h ASP 16 Cb 1.06 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 42.05 1sg5 h ASP 16 CO -0.00 1.06 -0.77 0.78 -2.88 0.00 0.00 179.24 177.42 1sg5 h ASN 17 N 0.07 0.87 0.50 2.28 -0.26 -0.03 -2.27 115.58 116.74 1sg5 h ASN 17 Ca -0.05 -0.57 -0.30 0.00 -0.56 0.00 0.00 56.30 54.82 1sg5 h ASN 17 Cb 1.63 -0.26 -0.00 0.00 -1.06 0.00 0.00 38.32 38.63 1sg5 h ASN 17 CO 0.14 1.36 -1.45 0.25 -1.06 0.00 0.00 177.43 176.68 1sg5 h LEU 18 N 0.50 0.41 -0.11 1.61 7.12 -1.55 -2.93 115.31 120.35 1sg5 h LEU 18 Ca -0.05 -0.52 -0.05 0.00 0.13 0.00 0.00 57.88 57.39 1sg5 h LEU 18 Cb 1.39 -0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 41.39 1sg5 h LEU 18 CO 0.16 1.42 -0.12 1.05 -0.13 0.00 0.00 178.44 180.82 1sg5 h GLU 19 N 0.07 0.28 -0.24 1.25 -0.00 -1.31 0.27 114.58 114.91 1sg5 h GLU 19 Ca -0.21 -0.15 -0.14 0.00 -0.00 0.00 0.00 59.36 58.86 1sg5 h GLU 19 Cb 2.01 0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 30.75 1sg5 h GLU 19 CO 0.18 0.70 -0.42 1.25 -0.00 0.00 0.00 179.01 180.71 1sg5 h LEU 20 N -0.12 0.61 0.00 3.06 7.12 -1.55 1.21 115.31 125.64 1sg5 h LEU 20 Ca 0.02 -0.28 -0.00 0.00 0.13 0.00 0.00 57.88 57.75 1sg5 h LEU 20 Cb 0.65 -0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 40.61 1sg5 h LEU 20 CO 0.03 0.96 -0.03 0.00 -0.13 0.00 0.00 178.44 179.26 1sg5 h ALA 21 N 1.07 0.00 0.20 1.25 0.00 -1.55 0.50 119.26 120.73 1sg5 h ALA 21 Ca 0.04 -0.14 -0.33 0.00 0.00 0.00 0.00 54.91 54.47 1sg5 h ALA 21 Cb 0.93 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.76 1sg5 h ALA 21 CO 0.08 0.02 -1.55 0.00 0.00 0.00 0.00 179.25 177.81 1sg5 h GLN 23 N 0.12 0.07 0.00 0.00 4.20 -0.09 -3.39 115.11 116.02 1sg5 h GLN 23 Ca -0.27 -0.12 -0.23 0.00 0.06 0.00 0.00 58.65 58.09 1sg5 h GLN 23 Cb 2.11 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 29.89 1sg5 h GLN 23 CO 0.22 0.86 -1.87 0.72 -0.67 0.00 0.00 178.83 178.10 1sg5 n HIS 24 N -3.28 0.00 -3.97 2.96 8.25 0.38 -4.76 115.22 114.80 1sg5 n HIS 24 Ca -0.10 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.08 1sg5 n HIS 24 Cb 1.01 -0.62 -0.02 0.00 1.12 0.00 0.00 29.99 31.47 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 -2.50 -1.62 0.00 4.41 8.25 0.17 -1.97 115.22 121.96 1sg5 n HIS 25 Ca -0.21 0.66 0.00 0.00 -0.26 0.00 0.00 57.72 57.91 1sg5 n HIS 25 Cb 0.90 -3.55 0.00 0.00 1.12 0.00 0.00 29.99 28.47 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 -4.43 0.00 -4.55 2.41 7.99 -1.14 -4.86 117.00 112.43 1sg5 n LEU 26 Ca -0.28 0.00 -0.43 0.00 -0.01 0.00 0.00 56.01 55.29 1sg5 n LEU 26 Cb 0.67 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.94 1sg5 n LEU 26 CO 0.75 0.00 0.74 -0.04 -1.51 0.00 0.00 177.39 177.33 1sg5 s MET 27 N 0.00 3.45 0.23 3.23 -1.94 -0.83 -3.25 119.30 120.18 1sg5 s MET 27 Ca 0.00 -0.01 0.10 0.00 -1.71 0.00 0.00 55.69 54.07 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 -1.32 -0.11 -0.48 -0.01 0.00 0.00 175.02 173.11 1sg5 s LEU 28 N 3.81 2.90 -0.29 -0.03 2.34 -1.00 -4.75 118.68 121.65 1sg5 s LEU 28 Ca 0.34 -0.73 -0.02 0.00 0.06 0.00 0.00 54.13 53.78 1sg5 s LEU 28 Cb -0.11 -1.50 0.05 0.00 -0.56 0.00 0.00 46.19 44.07 1sg5 s LEU 28 CO 0.24 0.06 -0.01 -0.89 -1.06 0.00 0.00 176.35 174.69 1sg5 s THR 29 N -2.07 2.98 -0.13 5.48 2.01 -0.73 -0.44 115.64 122.73 1sg5 s THR 29 Ca 0.28 -1.33 -0.13 0.00 0.31 0.00 0.00 61.69 60.82 1sg5 s THR 29 Cb -0.07 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.71 1sg5 s THR 29 CO 0.16 -0.06 0.29 -0.76 -0.69 0.00 0.00 174.62 173.56 1sg5 s LEU 30 N 1.27 4.30 0.07 4.42 2.01 0.96 -0.08 118.68 131.63 1sg5 s LEU 30 Ca -0.04 0.57 0.05 0.00 0.01 0.00 0.00 54.13 54.71 1sg5 s LEU 30 Cb -0.19 -2.37 -0.03 0.00 0.01 0.00 0.00 46.19 43.61 1sg5 s LEU 30 CO -0.01 0.17 -0.13 -1.83 1.01 0.00 0.00 176.35 175.55 1sg5 s GLU 31 N 0.06 0.79 0.23 1.70 4.04 0.29 -0.63 118.70 125.19 1sg5 s GLU 31 Ca 0.17 -0.96 0.09 0.00 0.04 0.00 0.00 54.97 54.31 1sg5 s GLU 31 Cb -0.13 -0.73 -0.05 0.00 0.02 0.00 0.00 34.13 33.24 1sg5 s GLU 31 CO 0.05 0.15 -0.15 -0.51 -1.84 0.00 0.00 175.26 172.96 1sg5 s LEU 32 N -1.82 2.56 0.46 1.83 1.43 -0.91 -2.51 118.68 119.72 1sg5 s LEU 32 Ca -0.02 -1.04 0.33 0.00 -1.03 0.00 0.00 54.13 52.38 1sg5 s LEU 32 Cb -0.09 -0.80 1.48 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 0.00 176.35 178.21 1sg5 h LYS 33 N 2.45 0.06 -1.29 1.70 1.57 -1.94 0.78 116.57 119.90 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 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1sg5 h LYS 33 CO 0.62 0.04 0.00 -0.25 -0.57 0.00 0.00 179.45 179.29 1sg5 n ASP 34 N -4.57 2.50 -2.20 0.86 9.92 -1.26 -4.73 116.55 117.06 1sg5 n ASP 34 Ca 0.38 -1.60 -0.14 0.00 -0.53 0.00 0.00 54.79 52.90 1sg5 n ASP 34 Cb 1.52 -0.43 -0.02 0.00 -0.64 0.00 0.00 41.12 41.54 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 0.70 -0.09 3.79 0.44 0.00 0.27 -4.92 105.19 105.37 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 -4.62 3.51 -0.30 1.61 2.02 -0.83 -4.81 118.70 115.28 1sg5 s GLU 36 Ca 0.00 1.43 -0.11 0.00 0.02 0.00 0.00 54.97 56.31 1sg5 s GLU 36 Cb 0.00 -2.04 0.14 0.00 0.10 0.00 0.00 34.13 32.32 1sg5 s GLU 36 CO 0.00 -0.69 0.71 0.15 0.02 0.00 0.00 175.26 175.45 1sg5 s LYS 37 N -3.43 0.53 -0.18 1.61 1.02 -1.21 -2.14 119.74 115.94 1sg5 s LYS 37 Ca 0.69 1.33 -0.12 0.00 0.02 0.00 0.00 55.97 57.89 1sg5 s LYS 37 Cb -0.19 0.80 0.06 0.00 -0.52 0.00 0.00 37.83 37.98 1sg5 s LYS 37 CO 0.26 -0.18 0.45 -0.48 -0.92 0.00 0.00 175.35 174.48 1sg5 s LEU 38 N 2.82 -0.07 0.14 3.17 -0.00 0.20 -4.92 118.68 120.01 1sg5 s LEU 38 Ca -0.05 0.96 -0.10 0.00 -0.00 0.00 0.00 54.13 54.94 1sg5 s LEU 38 Cb -0.11 1.52 -0.06 0.00 -0.00 0.00 0.00 46.19 47.53 1sg5 s LEU 38 CO -0.19 -0.19 0.46 -1.58 -0.00 0.00 0.00 176.35 174.86 1sg5 s GLN 39 N 1.07 3.79 -0.04 1.48 0.74 -1.25 -0.03 119.66 125.42 1sg5 s GLN 39 Ca -0.07 0.22 0.01 0.00 0.05 0.00 0.00 55.36 55.58 1sg5 s GLN 39 Cb -0.06 -2.87 0.02 0.00 1.10 0.00 0.00 33.01 31.19 1sg5 s GLN 39 CO -0.09 0.47 -0.05 0.00 -0.55 0.00 0.00 175.29 175.07 1sg5 s ALA 40 N -1.55 0.69 0.28 1.58 0.00 0.41 -4.93 121.76 118.23 1sg5 s ALA 40 Ca 0.39 -0.06 -0.29 0.00 0.00 0.00 0.00 51.96 52.00 1sg5 s ALA 40 Cb -0.13 -0.43 -0.09 0.00 0.00 0.00 0.00 23.12 22.47 1sg5 s ALA 40 CO 0.20 -0.02 0.97 0.21 0.00 0.00 0.00 175.76 177.12 1sg5 s LYS 41 N 0.92 4.72 0.56 0.00 2.20 -1.26 -2.39 119.74 124.50 1sg5 s LYS 41 Ca -0.11 1.49 0.00 0.00 -0.36 0.00 0.00 55.97 56.99 1sg5 s LYS 41 Cb -0.14 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 1sg5 s LYS 41 CO 0.00 0.38 0.00 0.00 -0.36 0.00 0.00 175.35 175.37 1sg5 n ALA 42 N 1.13 -1.94 0.00 3.13 0.00 -1.20 -4.19 120.51 117.43 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 18.48 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 -1.82 0.00 -3.55 0.00 3.41 -1.26 -2.83 113.62 107.58 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 0.25 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.15 1sg5 n SER 43 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1sg5 s ASP 44 N 0.00 0.65 0.24 4.04 -1.08 0.41 -4.85 116.67 116.09 1sg5 s ASP 44 Ca 0.00 -1.38 0.12 0.00 -0.52 0.00 0.00 52.55 50.77 1sg5 s ASP 44 Cb 0.00 0.60 -0.05 0.00 -1.46 0.00 0.00 42.92 42.01 1sg5 s ASP 44 CO 0.00 -1.18 -0.22 -0.22 0.52 0.00 0.00 175.17 174.07 1sg5 s LEU 45 N -3.19 2.53 -0.03 -1.34 0.20 -1.26 0.11 118.68 115.70 1sg5 s LEU 45 Ca 0.31 -0.95 0.01 0.00 0.69 0.00 0.00 54.13 54.19 1sg5 s LEU 45 Cb 0.01 -1.14 0.01 0.00 -0.43 0.00 0.00 46.19 44.64 1sg5 s LEU 45 CO 0.17 0.08 -0.05 -0.69 -0.29 0.00 0.00 176.35 175.57 1sg5 s VAL 46 N -2.13 0.49 -0.28 1.68 1.01 0.48 -4.81 120.40 116.84 1sg5 s VAL 46 Ca 0.26 -0.16 -0.14 0.00 0.00 0.00 0.00 61.98 61.94 1sg5 s VAL 46 Cb -0.06 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 1sg5 s VAL 46 CO 0.13 0.19 0.32 -0.94 0.00 0.00 0.00 175.10 174.79 1sg5 s SER 47 N 0.54 6.17 0.51 3.32 1.04 -1.26 -0.67 113.70 123.34 1sg5 s SER 47 Ca -0.07 0.13 -0.19 0.00 0.48 0.00 0.00 55.95 56.30 1sg5 s SER 47 Cb -0.10 -2.18 -0.08 0.00 0.10 0.00 0.00 66.02 63.76 1sg5 s SER 47 CO -0.00 -0.16 1.04 -0.13 0.98 0.00 0.00 173.24 174.96 1sg5 s ARG 48 N 1.97 3.73 0.59 4.02 0.52 0.85 -4.91 118.95 125.72 1sg5 s ARG 48 Ca 0.12 1.30 0.29 0.00 -0.52 0.00 0.00 55.73 56.92 1sg5 s ARG 48 Cb -0.16 -2.09 1.54 0.00 0.52 0.00 0.00 34.95 34.76 1sg5 s ARG 48 CO 0.10 -0.48 1.97 0.87 0.02 0.00 0.00 175.30 177.78 1sg5 h LYS 49 N 1.32 0.00 0.00 3.54 1.57 -2.00 -1.72 116.57 119.29 1sg5 h LYS 49 Ca -0.49 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.04 1sg5 h LYS 49 Cb 1.22 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.48 1sg5 h LYS 49 CO 0.59 0.00 -2.18 0.09 -0.57 0.00 0.00 179.45 177.37 1sg5 n ASN 50 N -3.75 0.41 0.00 0.86 4.13 -1.26 -4.85 115.26 110.80 1sg5 n ASN 50 Ca 0.06 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.32 1sg5 n ASN 50 Cb 0.54 1.20 0.00 0.00 -1.54 0.00 0.00 39.78 39.99 1sg5 n ASN 50 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1sg5 n VAL 51 N -2.56 0.00 -3.73 2.41 0.24 -0.65 -4.66 118.33 109.38 1sg5 n VAL 51 Ca -0.23 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 61.93 1sg5 n VAL 51 Cb 0.96 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 33.19 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 3.33 0.15 0.15 7.34 2.02 -1.26 -0.10 118.70 130.33 1sg5 s GLU 52 Ca 0.00 0.47 0.06 0.00 0.02 0.00 0.00 54.97 55.52 1sg5 s GLU 52 Cb 0.00 -0.15 -0.04 0.00 0.10 0.00 0.00 34.13 34.04 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 1.29 1.43 0.06 1.61 1.13 0.15 -4.52 117.35 118.50 1sg5 s TYR 53 Ca -0.09 -0.64 -0.06 0.00 -1.41 0.00 0.00 57.07 54.87 1sg5 s TYR 53 Cb -0.11 -0.71 -0.05 0.00 -1.10 0.00 0.00 41.96 39.99 1sg5 s TYR 53 CO -0.07 0.18 0.32 -0.51 -2.51 0.00 0.00 175.55 172.95 1sg5 s LEU 54 N -2.98 4.34 -0.18 -3.49 2.01 -1.06 -0.39 118.68 116.94 1sg5 s LEU 54 Ca 0.16 0.58 -0.01 0.00 0.01 0.00 0.00 54.13 54.86 1sg5 s LEU 54 Cb -0.01 -2.93 0.05 0.00 0.01 0.00 0.00 46.19 43.31 1sg5 s LEU 54 CO 0.03 0.18 -0.01 0.68 1.01 0.00 0.00 176.35 178.24 1sg5 s VAL 55 N -1.44 0.84 -0.07 -1.59 -7.23 0.12 -1.98 120.40 109.05 1sg5 s VAL 55 Ca 0.33 -0.62 -0.01 0.00 -1.81 0.00 0.00 61.98 59.87 1sg5 s VAL 55 Cb -0.13 -1.18 -0.03 0.00 0.56 0.00 0.00 36.38 35.60 1sg5 s VAL 55 CO 0.20 -0.05 -0.02 0.68 -0.31 0.00 0.00 175.10 175.61 1sg5 s VAL 56 N 1.73 4.14 -0.30 1.32 -7.23 -0.74 -0.44 120.40 118.88 1sg5 s VAL 56 Ca -0.01 -0.36 -0.22 0.00 -1.81 0.00 0.00 61.98 59.58 1sg5 s VAL 56 Cb -0.16 -2.75 -0.01 0.00 0.56 0.00 0.00 36.38 34.02 1sg5 s VAL 56 CO -0.07 0.56 0.70 -0.70 -0.31 0.00 0.00 175.10 175.28 1sg5 s GLU 57 N -0.99 3.94 -0.79 4.82 2.56 -1.13 -0.56 118.70 126.55 1sg5 s GLU 57 Ca 0.14 0.44 -0.15 0.00 0.00 0.00 0.00 54.97 55.40 1sg5 s GLU 57 Cb -0.11 -3.72 0.20 0.00 2.00 0.00 0.00 34.13 32.49 1sg5 s GLU 57 CO 0.03 -0.60 0.77 0.00 -0.56 0.00 0.00 175.26 174.90 1sg5 s ALA 58 N 2.74 3.94 0.00 6.30 0.00 0.52 -4.40 121.76 130.86 1sg5 s ALA 58 Ca 0.28 -3.13 0.00 0.00 0.00 0.00 0.00 51.96 49.11 1sg5 s ALA 58 Cb -0.15 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1sg5 s ALA 58 CO 0.12 -2.32 0.00 0.00 0.00 0.00 0.00 175.76 173.56 1sg5 n ALA 59 N 4.47 0.00 -2.03 0.00 0.00 -1.26 -1.24 120.51 120.44 1sg5 n ALA 59 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.57 1sg5 n ALA 59 Cb 0.46 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.93 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 1.13 2.96 0.00 0.00 -1.26 -5.05 105.19 102.96 1sg5 n GLY 60 Ca 0.00 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.34 0.12 0.43 1.61 2.02 -0.38 -5.15 118.70 117.01 1sg5 s GLU 61 Ca 0.12 0.56 -0.23 0.00 0.02 0.00 0.00 54.97 55.43 1sg5 s GLU 61 Cb 0.13 -0.15 -0.08 0.00 0.10 0.00 0.00 34.13 34.12 1sg5 s GLU 61 CO -0.04 -0.23 1.11 0.95 0.02 0.00 0.00 175.26 177.07 1sg5 s THR 62 N 1.79 3.41 0.05 3.63 -4.23 -1.26 -0.36 115.64 118.68 1sg5 s THR 62 Ca -0.03 1.07 0.05 0.00 -1.18 0.00 0.00 61.69 61.59 1sg5 s THR 62 Cb -0.11 -3.55 -0.02 0.00 1.34 0.00 0.00 72.50 70.15 1sg5 s THR 62 CO -0.07 -0.00 -0.13 -0.13 -0.54 0.00 0.00 174.62 173.74 1sg5 s ARG 63 N -2.59 0.84 -0.40 3.99 1.81 0.27 -4.87 118.95 118.00 1sg5 s ARG 63 Ca 0.61 -0.83 -0.06 0.00 -1.72 0.00 0.00 55.73 53.73 1sg5 s ARG 63 Cb -0.25 -0.82 0.08 0.00 -0.45 0.00 0.00 34.95 33.50 1sg5 s ARG 63 CO 0.31 0.19 0.20 -1.21 -0.68 0.00 0.00 175.30 174.12 1sg5 s GLU 64 N -1.40 2.42 -0.05 3.54 2.02 -1.26 -1.79 118.70 122.17 1sg5 s GLU 64 Ca -0.01 -1.52 0.04 0.00 0.02 0.00 0.00 54.97 53.50 1sg5 s GLU 64 Cb -0.09 -3.63 -0.00 0.00 0.10 0.00 0.00 34.13 30.51 1sg5 s GLU 64 CO 0.02 -0.93 -0.17 -0.48 0.02 0.00 0.00 175.26 173.72 1sg5 s LEU 65 N 1.32 1.91 0.00 1.80 -0.00 -0.84 -4.66 118.68 118.22 1sg5 s LEU 65 Ca 0.03 -0.36 0.00 0.00 -0.00 0.00 0.00 54.13 53.80 1sg5 s LEU 65 Cb -0.22 -0.99 0.00 0.00 -0.00 0.00 0.00 46.19 44.98 1sg5 s LEU 65 CO -0.00 0.15 0.00 -1.14 -0.00 0.00 0.00 176.35 175.36 1sg5 n ARG 66 N 3.19 0.00 0.08 1.48 3.00 -1.26 -2.55 116.66 120.61 1sg5 n ARG 66 Ca -0.18 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.78 1sg5 n ARG 66 Cb 0.53 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 0.51 -0.64 6.15 -0.00 -1.26 -2.48 117.00 119.28 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 -0.48 0.16 0.00 -0.00 0.00 0.00 43.42 43.11 1sg5 n LEU 67 CO 0.00 -0.32 0.64 0.47 -0.00 0.00 0.00 177.39 178.17 1sg5 n ASP 68 N -2.02 3.03 -3.12 1.45 8.00 -1.26 -5.00 116.55 117.62 1sg5 n ASP 68 Ca 0.04 -2.17 -0.04 0.00 0.71 0.00 0.00 54.79 53.33 1sg5 n ASP 68 Cb 0.29 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 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 0.28 -1.44 -2.37 -1.24 5.02 -1.03 -4.89 118.16 112.48 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 0.49 -5.37 -0.03 0.00 -0.02 0.00 0.00 35.03 30.10 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 3.79 0.05 -0.18 1.10 -1.26 -4.71 121.20 117.05 1sg5 s ILE 70 Ca 0.03 1.34 -0.10 0.00 -0.51 0.00 0.00 60.65 61.41 1sg5 s ILE 70 Cb -0.01 -3.86 -0.02 0.00 0.15 0.00 0.00 42.46 38.72 1sg5 s ILE 70 CO 0.77 0.14 0.64 0.41 -2.11 0.00 0.00 174.94 174.79 1sg5 n THR 71 N 3.52 -0.22 -3.45 4.00 -1.04 -1.26 -2.69 114.28 113.13 1sg5 n THR 71 Ca 0.08 1.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.97 1sg5 n THR 71 Cb 0.45 -1.26 -0.03 0.00 -1.82 0.00 0.00 70.33 67.68 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 -4.56 -0.54 -0.04 8.00 1.04 -1.04 -1.70 113.70 114.86 1sg5 s SER 72 Ca -0.04 0.10 -0.01 0.00 0.48 0.00 0.00 55.95 56.48 1sg5 s SER 72 Cb 0.04 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.73 1sg5 s SER 72 CO 0.20 -0.84 0.04 0.72 0.98 0.00 0.00 173.24 174.34 1sg5 s PHE 73 N -3.23 0.13 0.11 5.02 -0.71 -0.42 -0.54 117.98 118.33 1sg5 s PHE 73 Ca 0.00 0.16 0.03 0.00 -1.04 0.00 0.00 56.93 56.09 1sg5 s PHE 73 Cb -0.01 -0.44 -0.04 0.00 -1.21 0.00 0.00 43.02 41.32 1sg5 s PHE 73 CO -0.09 -0.17 0.16 0.45 -1.34 0.00 0.00 175.22 174.23 1sg5 s SER 74 N 1.78 5.84 -0.09 1.98 0.15 0.89 -1.64 113.70 122.60 1sg5 s SER 74 Ca 0.00 0.04 -0.00 0.00 0.70 0.00 0.00 55.95 56.69 1sg5 s SER 74 Cb -0.12 -1.64 0.02 0.00 -1.71 0.00 0.00 66.02 62.57 1sg5 s SER 74 CO -0.03 0.12 -0.05 -1.00 1.20 0.00 0.00 173.24 173.48 1sg5 s HIS 75 N -1.59 1.16 -0.49 3.44 0.09 -0.20 -1.78 115.29 115.93 1sg5 s HIS 75 Ca 0.32 -0.50 -0.45 0.00 -0.00 0.00 0.00 55.06 54.43 1sg5 s HIS 75 Cb -0.11 -1.04 -0.19 0.00 -0.00 0.00 0.00 32.58 31.23 1sg5 s HIS 75 CO 0.25 -0.42 1.72 -2.30 -0.00 0.00 0.00 174.74 173.99 1sg5 n PRO 76 N 4.88 0.00 -1.64 8.40 -0.02 -1.26 0.63 135.00 145.99 1sg5 n PRO 76 Ca -0.12 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.19 1sg5 n PRO 76 Cb 0.50 -1.46 -0.06 0.00 -0.02 0.00 0.00 33.50 32.46 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 4.91 -1.19 0.02 -0.52 2.13 -1.26 -4.84 120.64 119.89 1sg5 n GLU 77 Ca 0.37 1.03 0.00 0.00 0.66 0.00 0.00 57.16 59.22 1sg5 n GLU 77 Cb -0.05 -5.28 0.00 0.00 0.27 0.00 0.00 31.44 26.38 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 -2.81 0.32 0.00 6.31 2.08 0.21 -5.17 119.36 120.30 1sg5 n ILE 78 Ca -0.17 0.10 0.00 0.00 0.56 0.00 0.00 62.75 63.24 1sg5 n ILE 78 Cb 0.57 -1.09 0.00 0.00 -0.75 0.00 0.00 39.64 38.36 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 3.36 -0.48 3.21 7.39 0.00 -0.99 -4.97 105.19 112.71 1sg5 n GLY 79 Ca 0.00 -1.28 -0.32 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.00 2.00 -0.15 2.61 -1.32 -1.26 -1.03 115.64 114.48 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 -1.73 -0.01 0.00 -1.51 0.00 0.00 72.50 69.25 1sg5 s THR 80 CO 0.00 0.55 -0.14 -0.69 -2.21 0.00 0.00 174.62 172.13 1sg5 s VAL 81 N 0.37 2.82 -0.11 5.08 1.01 -0.65 -4.87 120.40 124.05 1sg5 s VAL 81 Ca -0.18 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 1sg5 s VAL 81 Cb -0.18 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 1sg5 s VAL 81 CO 0.08 0.51 0.06 -0.69 0.00 0.00 0.00 175.10 175.06 1sg5 s VAL 82 N 0.75 4.79 0.00 2.92 1.01 -1.22 -1.31 120.40 127.34 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 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1sg5 s VAL 82 CO 0.01 0.60 0.00 0.55 0.00 0.00 0.00 175.10 176.26 1sg5 n VAL 83 N 2.19 0.00 -0.19 2.92 3.14 -0.69 -3.77 118.33 121.93 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 -1.54 -6.46 0.00 0.00 176.83 168.83 1sg5 n SER 84 N 0.27 -2.71 -4.72 6.55 3.41 -1.22 -4.74 113.62 110.46 1sg5 n SER 84 Ca 0.00 0.14 -0.43 0.00 -0.26 0.00 0.00 58.87 58.32 1sg5 n SER 84 Cb 0.00 0.37 -0.02 0.00 -0.26 0.00 0.00 64.21 64.30 1sg5 n SER 84 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1sg5 n GLU 85 N -0.44 2.51 -0.51 4.33 -0.00 -1.25 -4.98 120.64 120.31 1sg5 n GLU 85 Ca 0.00 0.89 0.00 0.00 -0.00 0.00 0.00 57.16 58.05 1sg5 n GLU 85 Cb 0.00 -2.64 0.00 0.00 -0.00 0.00 0.00 31.44 28.80 1sg5 n GLU 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58