#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 4.39 -0.93 6.12 1.04 -1.26 -4.79 113.70 118.27 1sg5 s SER 2 Ca 0.00 -1.14 -0.01 0.00 0.48 0.00 0.00 55.95 55.28 1sg5 s SER 2 Cb 0.00 -0.36 -0.01 0.00 0.10 0.00 0.00 66.02 65.74 1sg5 s SER 2 CO 0.00 -0.59 0.78 0.23 0.98 0.00 0.00 173.24 174.64 1sg5 n MET 3 N -1.26 -4.43 -1.48 4.02 0.00 -1.26 -4.92 117.12 107.80 1sg5 n MET 3 Ca -0.02 0.68 -0.00 0.00 0.00 0.00 0.00 57.70 58.35 1sg5 n MET 3 Cb 0.65 -5.13 0.01 0.00 0.00 0.00 0.00 33.22 28.75 1sg5 n MET 3 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 1sg5 n ASN 4 N -2.74 -0.21 -2.79 7.83 6.94 -1.26 -5.07 115.26 117.95 1sg5 n ASN 4 Ca -0.19 -1.02 -0.06 0.00 -0.02 0.00 0.00 54.58 53.29 1sg5 n ASN 4 Cb 0.63 0.09 0.01 0.00 -2.36 0.00 0.00 39.78 38.15 1sg5 n ASN 4 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1sg5 n ASP 5 N -0.19 -3.19 -1.36 0.53 -0.08 -1.26 -4.97 116.55 106.03 1sg5 n ASP 5 Ca -0.03 -2.96 -0.03 0.00 -1.51 0.00 0.00 54.79 50.27 1sg5 n ASP 5 Cb 0.51 1.63 0.01 0.00 2.34 0.00 0.00 41.12 45.62 1sg5 n ASP 5 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1sg5 n THR 6 N 2.70 0.00 -2.92 5.18 5.66 -1.26 -5.10 114.28 118.54 1sg5 n THR 6 Ca 0.17 -0.23 -0.43 0.00 -3.05 0.00 0.00 64.05 60.50 1sg5 n THR 6 Cb 0.57 0.49 -0.04 0.00 -1.55 0.00 0.00 70.33 69.79 1sg5 n THR 6 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1sg5 s TYR 7 N 0.03 2.77 -0.46 1.09 5.04 -1.26 -5.01 117.35 119.55 1sg5 s TYR 7 Ca 0.02 -0.51 -0.25 0.00 -2.44 0.00 0.00 57.07 53.89 1sg5 s TYR 7 Cb 0.11 -4.15 0.03 0.00 0.35 0.00 0.00 41.96 38.30 1sg5 s TYR 7 CO -0.03 -1.49 0.91 -0.65 -1.34 0.00 0.00 175.55 172.94 1sg5 s GLN 8 N 3.73 3.50 0.43 4.97 -0.21 -1.26 -4.67 119.66 126.15 1sg5 s GLN 8 Ca 0.21 0.11 0.21 0.00 0.02 0.00 0.00 55.36 55.91 1sg5 s GLN 8 Cb -0.17 -3.93 0.96 0.00 1.00 0.00 0.00 33.01 30.87 1sg5 s GLN 8 CO 0.11 -1.22 1.88 -1.35 -2.12 0.00 0.00 175.29 172.59 1sg5 h PRO 9 N 9.08 0.00 0.00 2.91 0.11 -1.92 -3.42 132.00 138.76 1sg5 h PRO 9 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1sg5 h PRO 9 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1sg5 h PRO 9 CO 1.02 0.27 0.00 1.51 -0.21 0.00 0.00 178.00 180.59 1sg5 n ILE 10 N -3.69 0.00 -3.58 4.15 3.06 -1.26 -3.93 119.36 114.10 1sg5 n ILE 10 Ca -0.01 0.00 -0.34 0.00 -2.50 0.00 0.00 62.75 59.90 1sg5 n ILE 10 Cb 0.39 0.00 -0.05 0.00 0.54 0.00 0.00 39.64 40.51 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 -1.11 6.62 0.22 9.51 0.01 -1.26 -3.33 114.94 125.61 1sg5 s ASN 11 Ca 0.00 0.77 0.01 0.00 -0.71 0.00 0.00 52.86 52.93 1sg5 s ASN 11 Cb 0.00 -2.17 0.02 0.00 0.41 0.00 0.00 41.25 39.51 1sg5 s ASN 11 CO 0.00 0.15 0.17 0.00 -1.51 0.00 0.00 177.10 175.91 1sg5 h ASP 13 N -0.02 -0.54 0.11 0.00 5.19 -1.99 -3.09 116.42 116.07 1sg5 h ASP 13 Ca -0.06 -0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.16 1sg5 h ASP 13 Cb 0.25 0.14 0.01 0.00 0.18 0.00 0.00 39.33 39.91 1sg5 h ASP 13 CO 0.08 -0.12 -0.87 -2.24 -3.12 0.00 0.00 179.24 172.96 1sg5 h ASP 14 N -1.15 0.35 -0.17 6.45 2.03 -2.01 -3.30 116.42 118.62 1sg5 h ASP 14 Ca -0.07 -0.91 0.05 0.00 -0.73 0.00 0.00 57.03 55.38 1sg5 h ASP 14 Cb 0.51 -0.11 -0.01 0.00 -0.83 0.00 0.00 39.33 38.89 1sg5 h ASP 14 CO 0.11 1.40 0.46 1.88 -1.03 0.00 0.00 179.24 182.05 1sg5 h TYR 15 N -0.49 0.00 0.01 4.15 0.05 -1.98 0.54 116.97 119.26 1sg5 h TYR 15 Ca -0.18 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.41 1sg5 h TYR 15 Cb 1.56 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.28 1sg5 h TYR 15 CO 0.19 0.00 -0.93 0.22 -1.05 0.00 0.00 178.16 176.59 1sg5 h ASP 16 N 0.00 0.09 0.17 3.88 1.82 -1.61 -1.60 116.42 119.17 1sg5 h ASP 16 Ca 0.08 -0.08 -0.25 0.00 -0.39 0.00 0.00 57.03 56.39 1sg5 h ASP 16 Cb 1.00 -0.03 0.02 0.00 0.68 0.00 0.00 39.33 41.00 1sg5 h ASP 16 CO -0.00 0.96 -1.15 0.78 -1.61 0.00 0.00 179.24 178.23 1sg5 h ASN 17 N 0.03 0.57 0.90 2.28 2.35 -0.07 -2.33 115.58 119.30 1sg5 h ASN 17 Ca -0.03 -0.93 -0.22 0.00 -0.55 0.00 0.00 56.30 54.58 1sg5 h ASN 17 Cb 1.61 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 39.76 1sg5 h ASN 17 CO 0.13 1.54 -1.16 0.25 -1.65 0.00 0.00 177.43 176.54 1sg5 h LEU 18 N -0.20 0.00 0.11 1.61 6.46 -1.52 -2.38 115.31 119.39 1sg5 h LEU 18 Ca -0.21 0.00 -0.22 0.00 -0.12 0.00 0.00 57.88 57.33 1sg5 h LEU 18 Cb 1.83 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.77 1sg5 h LEU 18 CO 0.17 0.94 -1.09 -0.33 -0.62 0.00 0.00 178.44 177.51 1sg5 h GLU 19 N 0.00 0.23 -0.13 1.25 4.39 -1.44 -1.44 114.58 117.43 1sg5 h GLU 19 Ca -0.09 -0.39 -0.12 0.00 0.34 0.00 0.00 59.36 59.10 1sg5 h GLU 19 Cb 1.79 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 30.57 1sg5 h GLU 19 CO 0.11 1.19 -0.45 1.25 -1.16 0.00 0.00 179.01 179.94 1sg5 h LEU 20 N -0.43 0.35 0.00 1.33 7.12 -1.54 0.77 115.31 122.90 1sg5 h LEU 20 Ca -0.23 -0.16 -0.01 0.00 0.13 0.00 0.00 57.88 57.62 1sg5 h LEU 20 Cb 1.63 -0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 41.66 1sg5 h LEU 20 CO 0.07 0.76 -0.08 0.00 -0.13 0.00 0.00 178.44 179.06 1sg5 h ALA 21 N 1.26 0.01 0.19 1.25 0.00 -1.55 0.16 119.26 120.58 1sg5 h ALA 21 Ca 0.02 -0.16 -0.33 0.00 0.00 0.00 0.00 54.91 54.44 1sg5 h ALA 21 Cb 0.91 0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.78 1sg5 h ALA 21 CO 0.07 0.07 -1.53 0.00 0.00 0.00 0.00 179.25 177.86 1sg5 h GLN 23 N 0.11 0.00 0.00 0.00 4.20 -0.00 -3.39 115.11 116.03 1sg5 h GLN 23 Ca -0.26 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.30 1sg5 h GLN 23 Cb 2.10 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.85 1sg5 h GLN 23 CO 0.22 0.61 -1.55 0.72 -0.67 0.00 0.00 178.83 178.15 1sg5 n HIS 24 N -3.15 0.00 -3.78 2.96 8.25 0.22 -4.69 115.22 115.02 1sg5 n HIS 24 Ca -0.05 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.17 1sg5 n HIS 24 Cb 0.88 -0.40 0.01 0.00 1.12 0.00 0.00 29.99 31.61 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 -2.32 -1.82 0.00 4.41 8.25 0.56 -2.33 115.22 121.97 1sg5 n HIS 25 Ca -0.13 0.73 0.00 0.00 -0.26 0.00 0.00 57.72 58.05 1sg5 n HIS 25 Cb 0.76 -3.95 0.00 0.00 1.12 0.00 0.00 29.99 27.92 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 -4.28 0.00 -4.51 2.41 4.32 -1.12 -4.84 117.00 108.97 1sg5 n LEU 26 Ca -0.26 0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.30 1sg5 n LEU 26 Cb 0.66 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.42 1sg5 n LEU 26 CO 0.71 0.00 0.77 -0.04 -1.22 0.00 0.00 177.39 177.61 1sg5 s MET 27 N 0.00 3.30 0.20 3.23 -1.94 -0.99 -2.66 119.30 120.44 1sg5 s MET 27 Ca 0.00 -0.32 0.08 0.00 -1.71 0.00 0.00 55.69 53.74 1sg5 s MET 27 Cb 0.00 -4.08 -0.04 0.00 2.01 0.00 0.00 34.83 32.72 1sg5 s MET 27 CO 0.00 -1.55 -0.01 -0.48 -0.01 0.00 0.00 175.02 172.97 1sg5 s LEU 28 N 4.04 3.26 -0.33 -0.03 2.34 -0.98 -4.77 118.68 122.20 1sg5 s LEU 28 Ca 0.30 -0.47 -0.02 0.00 0.06 0.00 0.00 54.13 54.00 1sg5 s LEU 28 Cb -0.13 -1.89 0.07 0.00 -0.56 0.00 0.00 46.19 43.68 1sg5 s LEU 28 CO 0.18 0.07 0.06 -0.89 -1.06 0.00 0.00 176.35 174.71 1sg5 s THR 29 N -1.86 3.06 -0.03 5.48 2.01 -0.82 -0.63 115.64 122.85 1sg5 s THR 29 Ca 0.28 -1.59 -0.18 0.00 0.31 0.00 0.00 61.69 60.51 1sg5 s THR 29 Cb -0.09 -2.87 -0.05 0.00 0.01 0.00 0.00 72.50 69.50 1sg5 s THR 29 CO 0.19 -0.28 0.49 -0.22 -0.69 0.00 0.00 174.62 174.10 1sg5 s LEU 30 N 1.21 4.41 0.06 4.42 0.20 0.11 -0.18 118.68 128.90 1sg5 s LEU 30 Ca -0.01 1.00 0.05 0.00 0.69 0.00 0.00 54.13 55.86 1sg5 s LEU 30 Cb -0.20 -2.73 -0.03 0.00 -0.43 0.00 0.00 46.19 42.80 1sg5 s LEU 30 CO -0.02 0.17 -0.13 -1.83 -0.29 0.00 0.00 176.35 174.24 1sg5 s GLU 31 N -0.35 0.80 0.24 1.98 -1.05 0.63 -0.46 118.70 120.50 1sg5 s GLU 31 Ca 0.27 -0.88 0.10 0.00 -0.15 0.00 0.00 54.97 54.30 1sg5 s GLU 31 Cb -0.17 -0.78 -0.05 0.00 -0.44 0.00 0.00 34.13 32.69 1sg5 s GLU 31 CO 0.14 0.18 -0.16 -0.51 0.95 0.00 0.00 175.26 175.85 1sg5 s LEU 32 N -1.57 2.57 0.49 1.83 1.43 -0.94 -2.44 118.68 120.05 1sg5 s LEU 32 Ca -0.02 -1.04 0.36 0.00 -1.03 0.00 0.00 54.13 52.40 1sg5 s LEU 32 Cb -0.09 -0.87 1.50 0.00 0.03 0.00 0.00 46.19 46.76 1sg5 s LEU 32 CO 0.02 -0.08 1.66 0.11 0.23 0.00 0.00 176.35 178.28 1sg5 h LYS 33 N 2.40 0.07 -1.24 1.70 1.79 -1.94 1.02 116.57 120.38 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 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1sg5 h LYS 33 CO 0.62 0.05 0.00 -0.25 -1.08 0.00 0.00 179.45 178.78 1sg5 n ASP 34 N -4.39 2.86 -2.29 0.86 9.92 -1.26 -4.74 116.55 117.51 1sg5 n ASP 34 Ca 0.36 -1.80 -0.13 0.00 -0.53 0.00 0.00 54.79 52.69 1sg5 n ASP 34 Cb 1.51 -0.50 -0.01 0.00 -0.64 0.00 0.00 41.12 41.47 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 0.69 -0.25 3.77 0.44 0.00 0.35 -4.92 105.19 105.27 1sg5 n GLY 35 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -4.75 3.25 -0.29 1.61 2.56 -0.80 -4.78 118.70 115.50 1sg5 s GLU 36 Ca 0.00 1.56 -0.06 0.00 0.00 0.00 0.00 54.97 56.46 1sg5 s GLU 36 Cb 0.00 -2.00 0.15 0.00 2.00 0.00 0.00 34.13 34.28 1sg5 s GLU 36 CO 0.00 -0.92 0.61 0.21 -0.56 0.00 0.00 175.26 174.60 1sg5 s LYS 37 N -3.46 0.56 -0.16 4.30 2.20 -1.19 -2.22 119.74 119.76 1sg5 s LYS 37 Ca 0.71 1.24 -0.10 0.00 -0.36 0.00 0.00 55.97 57.47 1sg5 s LYS 37 Cb -0.23 0.69 0.06 0.00 -1.51 0.00 0.00 37.83 36.84 1sg5 s LYS 37 CO 0.30 -0.38 0.40 -0.48 -0.36 0.00 0.00 175.35 174.84 1sg5 s LEU 38 N 2.86 -0.00 0.18 5.43 -0.00 0.39 -4.92 118.68 122.62 1sg5 s LEU 38 Ca 0.05 0.87 -0.08 0.00 -0.00 0.00 0.00 54.13 54.96 1sg5 s LEU 38 Cb -0.13 1.32 -0.06 0.00 -0.00 0.00 0.00 46.19 47.32 1sg5 s LEU 38 CO -0.19 -0.19 0.47 -1.58 -0.00 0.00 0.00 176.35 174.87 1sg5 s GLN 39 N 1.25 3.75 -0.02 1.48 0.74 -1.24 0.04 119.66 125.66 1sg5 s GLN 39 Ca -0.08 0.16 0.01 0.00 0.05 0.00 0.00 55.36 55.49 1sg5 s GLN 39 Cb -0.08 -2.77 0.02 0.00 1.10 0.00 0.00 33.01 31.27 1sg5 s GLN 39 CO -0.11 0.41 -0.01 0.00 -0.55 0.00 0.00 175.29 175.03 1sg5 s ALA 40 N -1.69 0.25 0.27 1.58 0.00 0.20 -4.92 121.76 117.44 1sg5 s ALA 40 Ca 0.43 0.07 -0.29 0.00 0.00 0.00 0.00 51.96 52.17 1sg5 s ALA 40 Cb -0.12 -0.20 -0.09 0.00 0.00 0.00 0.00 23.12 22.71 1sg5 s ALA 40 CO 0.22 -0.02 0.97 0.21 0.00 0.00 0.00 175.76 177.14 1sg5 s LYS 41 N 0.58 4.73 0.38 0.00 2.47 -1.26 -2.33 119.74 124.31 1sg5 s LYS 41 Ca -0.06 1.50 0.00 0.00 -1.56 0.00 0.00 55.97 55.86 1sg5 s LYS 41 Cb -0.08 -3.12 0.00 0.00 -1.46 0.00 0.00 37.83 33.16 1sg5 s LYS 41 CO -0.01 0.39 0.00 0.00 0.16 0.00 0.00 175.35 175.89 1sg5 n ALA 42 N 1.16 -3.55 0.00 3.13 0.00 -1.09 -4.23 120.51 115.93 1sg5 n ALA 42 Ca -0.01 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1sg5 n ALA 42 Cb 0.47 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 -4.26 0.00 -3.59 0.00 3.41 -1.26 -4.38 113.62 103.54 1sg5 n SER 43 Ca 0.01 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.47 1sg5 n SER 43 Cb 0.61 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.49 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 0.82 0.23 4.04 -4.77 0.90 -4.87 116.67 113.02 1sg5 s ASP 44 Ca 0.00 -1.47 0.11 0.00 -3.30 0.00 0.00 52.55 47.89 1sg5 s ASP 44 Cb 0.00 0.56 -0.05 0.00 -1.09 0.00 0.00 42.92 42.34 1sg5 s ASP 44 CO 0.00 -1.11 -0.20 -0.22 0.70 0.00 0.00 175.17 174.33 1sg5 s LEU 45 N -3.23 2.52 -0.01 2.11 0.20 -1.26 -0.19 118.68 118.82 1sg5 s LEU 45 Ca 0.34 -0.96 0.02 0.00 0.69 0.00 0.00 54.13 54.23 1sg5 s LEU 45 Cb 0.02 -1.05 -0.00 0.00 -0.43 0.00 0.00 46.19 44.73 1sg5 s LEU 45 CO 0.19 0.04 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.52 1sg5 s VAL 46 N -2.24 0.65 -0.29 1.68 1.01 0.51 -4.84 120.40 116.88 1sg5 s VAL 46 Ca 0.25 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 61.82 1sg5 s VAL 46 Cb -0.06 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 1sg5 s VAL 46 CO 0.12 0.20 0.12 -0.94 0.00 0.00 0.00 175.10 174.59 1sg5 s SER 47 N -0.01 5.39 0.52 3.32 1.04 -1.26 -0.59 113.70 122.11 1sg5 s SER 47 Ca 0.01 -0.41 -0.19 0.00 0.48 0.00 0.00 55.95 55.83 1sg5 s SER 47 Cb -0.05 -1.97 -0.07 0.00 0.10 0.00 0.00 66.02 64.03 1sg5 s SER 47 CO -0.00 -0.13 1.06 -0.13 0.98 0.00 0.00 173.24 175.01 1sg5 s ARG 48 N 1.61 3.61 0.58 4.02 1.81 0.98 -4.91 118.95 126.66 1sg5 s ARG 48 Ca 0.05 1.36 0.29 0.00 -1.72 0.00 0.00 55.73 55.71 1sg5 s ARG 48 Cb -0.16 -2.07 1.48 0.00 -0.45 0.00 0.00 34.95 33.75 1sg5 s ARG 48 CO 0.05 -0.59 1.90 0.87 -0.68 0.00 0.00 175.30 176.86 1sg5 h LYS 49 N 1.23 0.00 0.00 3.54 6.56 -2.04 -1.95 116.57 123.92 1sg5 h LYS 49 Ca -0.49 0.00 -0.34 0.00 -1.06 0.00 0.00 60.65 58.76 1sg5 h LYS 49 Cb 1.23 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.82 1sg5 h LYS 49 CO 0.58 0.00 -2.28 -1.71 -2.06 0.00 0.00 179.45 173.98 1sg5 n ASN 50 N -3.77 0.58 0.00 0.86 2.85 -1.26 -5.08 115.26 109.44 1sg5 n ASN 50 Ca 0.09 -0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.55 1sg5 n ASN 50 Cb 0.68 0.83 0.00 0.00 1.24 0.00 0.00 39.78 42.53 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 -2.74 0.00 -3.72 3.44 0.24 -0.73 -4.88 118.33 109.94 1sg5 n VAL 51 Ca -0.31 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 61.84 1sg5 n VAL 51 Cb 1.09 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 33.32 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 1.83 0.11 0.19 7.34 2.02 -1.26 -0.02 118.70 128.91 1sg5 s GLU 52 Ca 0.00 0.49 0.08 0.00 0.02 0.00 0.00 54.97 55.56 1sg5 s GLU 52 Cb 0.00 -0.17 -0.04 0.00 0.10 0.00 0.00 34.13 34.01 1sg5 s GLU 52 CO 0.00 -0.21 -0.17 1.52 0.02 0.00 0.00 175.26 176.42 1sg5 s TYR 53 N 1.59 1.78 0.01 1.61 1.13 0.24 -4.53 117.35 119.18 1sg5 s TYR 53 Ca -0.05 -0.51 -0.02 0.00 -1.41 0.00 0.00 57.07 55.08 1sg5 s TYR 53 Cb -0.11 -0.86 -0.04 0.00 -1.10 0.00 0.00 41.96 39.85 1sg5 s TYR 53 CO -0.07 0.36 0.20 -1.17 -2.51 0.00 0.00 175.55 172.36 1sg5 s LEU 54 N -2.96 4.37 -0.05 -3.49 0.20 -1.15 -0.36 118.68 115.23 1sg5 s LEU 54 Ca 0.19 0.35 0.01 0.00 0.69 0.00 0.00 54.13 55.37 1sg5 s LEU 54 Cb -0.04 -2.69 0.02 0.00 -0.43 0.00 0.00 46.19 43.05 1sg5 s LEU 54 CO 0.07 0.24 -0.06 0.68 -0.29 0.00 0.00 176.35 176.99 1sg5 s VAL 55 N -1.36 0.66 -0.13 1.68 -7.23 0.73 -1.60 120.40 113.16 1sg5 s VAL 55 Ca 0.29 -0.19 -0.03 0.00 -1.81 0.00 0.00 61.98 60.24 1sg5 s VAL 55 Cb -0.13 -0.66 -0.03 0.00 0.56 0.00 0.00 36.38 36.12 1sg5 s VAL 55 CO 0.20 0.25 -0.01 0.68 -0.31 0.00 0.00 175.10 175.91 1sg5 s VAL 56 N 0.89 4.17 -0.38 1.32 -7.23 -0.49 -0.07 120.40 118.62 1sg5 s VAL 56 Ca -0.11 -0.28 -0.05 0.00 -1.81 0.00 0.00 61.98 59.73 1sg5 s VAL 56 Cb -0.15 -2.80 0.08 0.00 0.56 0.00 0.00 36.38 34.07 1sg5 s VAL 56 CO 0.01 0.54 0.16 -0.70 -0.31 0.00 0.00 175.10 174.80 1sg5 s GLU 57 N -0.22 2.38 -1.29 4.82 2.56 -1.26 -1.36 118.70 124.34 1sg5 s GLU 57 Ca 0.05 -1.48 -0.06 0.00 0.00 0.00 0.00 54.97 53.48 1sg5 s GLU 57 Cb -0.13 -3.54 0.15 0.00 2.00 0.00 0.00 34.13 32.61 1sg5 s GLU 57 CO 0.02 -0.87 2.25 0.00 -0.56 0.00 0.00 175.26 176.10 1sg5 n ALA 58 N 4.74 6.52 0.00 6.30 0.00 0.71 -4.25 120.51 134.53 1sg5 n ALA 58 Ca -0.09 -4.17 0.00 0.00 0.00 0.00 0.00 53.44 49.18 1sg5 n ALA 58 Cb 0.43 -2.75 0.00 0.00 0.00 0.00 0.00 19.45 17.13 1sg5 n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sg5 n ALA 59 N 1.88 0.00 -0.06 0.00 0.00 -1.26 -2.51 120.51 118.56 1sg5 n ALA 59 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1sg5 n ALA 59 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 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 0.66 3.39 0.00 0.00 -1.26 -5.01 105.19 102.97 1sg5 n GLY 60 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.56 3.54 -0.19 1.61 0.41 -1.04 -5.09 118.70 117.38 1sg5 s GLU 61 Ca 0.00 -0.54 -0.09 0.00 -0.41 0.00 0.00 54.97 53.93 1sg5 s GLU 61 Cb 0.00 -3.17 -0.05 0.00 -1.78 0.00 0.00 34.13 29.13 1sg5 s GLU 61 CO 0.00 -0.17 0.11 0.99 -0.49 0.00 0.00 175.26 175.69 1sg5 s THR 62 N 1.50 5.19 0.17 3.63 2.01 -1.26 -0.21 115.64 126.67 1sg5 s THR 62 Ca 0.06 0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.20 1sg5 s THR 62 Cb -0.15 -3.36 -0.05 0.00 0.01 0.00 0.00 72.50 68.96 1sg5 s THR 62 CO 0.01 0.45 -0.05 -0.13 -0.69 0.00 0.00 174.62 174.21 1sg5 s ARG 63 N 0.31 1.11 -0.29 4.92 1.81 -0.46 -5.00 118.95 121.35 1sg5 s ARG 63 Ca 0.07 -1.51 0.02 0.00 -1.72 0.00 0.00 55.73 52.59 1sg5 s ARG 63 Cb -0.11 -0.51 0.08 0.00 -0.45 0.00 0.00 34.95 33.96 1sg5 s ARG 63 CO -0.01 -0.02 -0.01 -1.21 -0.68 0.00 0.00 175.30 173.37 1sg5 s GLU 64 N -3.82 1.63 -0.06 3.54 0.41 -1.26 -1.39 118.70 117.75 1sg5 s GLU 64 Ca 0.20 -1.45 0.04 0.00 -0.41 0.00 0.00 54.97 53.35 1sg5 s GLU 64 Cb 0.04 -2.85 -0.00 0.00 -1.78 0.00 0.00 34.13 29.54 1sg5 s GLU 64 CO 0.03 -0.77 -0.20 -0.51 -0.49 0.00 0.00 175.26 173.32 1sg5 s LEU 65 N 1.14 1.95 0.00 1.80 1.43 -0.62 -4.62 118.68 119.75 1sg5 s LEU 65 Ca 0.02 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1sg5 s LEU 65 Cb -0.19 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 44.90 1sg5 s LEU 65 CO -0.09 0.16 0.00 0.54 0.23 0.00 0.00 176.35 177.20 1sg5 n ARG 66 N 3.25 0.00 0.09 1.70 3.00 -1.26 -2.94 116.66 120.49 1sg5 n ARG 66 Ca -0.19 0.00 0.11 0.00 -0.01 0.00 0.00 57.85 57.76 1sg5 n ARG 66 Cb 0.53 -0.02 0.44 0.00 0.00 0.00 0.00 32.46 33.41 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 0.48 -0.66 0.55 -0.00 -1.26 -2.15 117.00 113.96 1sg5 n LEU 67 Ca 0.00 0.60 0.06 0.00 -0.00 0.00 0.00 56.01 56.68 1sg5 n LEU 67 Cb 0.00 -0.52 0.18 0.00 -0.00 0.00 0.00 43.42 43.08 1sg5 n LEU 67 CO 0.00 -0.41 0.64 -0.90 -0.00 0.00 0.00 177.39 176.73 1sg5 n ASP 68 N -2.01 3.16 -3.07 1.45 5.68 -1.26 -4.95 116.55 115.54 1sg5 n ASP 68 Ca 0.03 -2.38 -0.03 0.00 -0.50 0.00 0.00 54.79 51.91 1sg5 n ASP 68 Cb 0.24 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 39.90 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 0.03 -1.53 -2.34 0.11 5.02 -0.91 -4.88 118.16 113.65 1sg5 n LYS 69 Ca 0.14 1.56 -0.42 0.00 -2.02 0.00 0.00 58.31 57.57 1sg5 n LYS 69 Cb 0.58 -5.49 -0.03 0.00 -0.02 0.00 0.00 35.03 30.07 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 3.93 0.06 -0.18 1.10 -1.26 -4.73 121.20 117.21 1sg5 s ILE 70 Ca 0.05 1.33 -0.12 0.00 -0.51 0.00 0.00 60.65 61.39 1sg5 s ILE 70 Cb -0.01 -3.85 -0.03 0.00 0.15 0.00 0.00 42.46 38.72 1sg5 s ILE 70 CO 0.76 0.03 0.65 0.41 -2.11 0.00 0.00 174.94 174.69 1sg5 n THR 71 N 4.39 -0.27 -3.49 4.00 -1.04 -1.26 -2.69 114.28 113.93 1sg5 n THR 71 Ca 0.11 1.02 -0.14 0.00 -2.04 0.00 0.00 64.05 63.00 1sg5 n THR 71 Cb 0.45 -1.27 -0.04 0.00 -1.82 0.00 0.00 70.33 67.65 1sg5 n THR 71 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1sg5 s SER 72 N -4.98 -0.56 -0.04 8.00 0.01 -1.02 -1.67 113.70 113.44 1sg5 s SER 72 Ca -0.05 0.26 -0.01 0.00 1.31 0.00 0.00 55.95 57.46 1sg5 s SER 72 Cb 0.04 0.56 0.03 0.00 0.21 0.00 0.00 66.02 66.86 1sg5 s SER 72 CO 0.24 -0.80 0.04 0.72 0.41 0.00 0.00 173.24 173.85 1sg5 s PHE 73 N -2.67 0.20 0.11 2.43 -0.71 -0.36 -0.27 117.98 116.71 1sg5 s PHE 73 Ca -0.04 0.13 0.03 0.00 -1.04 0.00 0.00 56.93 56.00 1sg5 s PHE 73 Cb -0.01 -0.49 -0.04 0.00 -1.21 0.00 0.00 43.02 41.28 1sg5 s PHE 73 CO -0.03 -0.19 0.16 0.45 -1.34 0.00 0.00 175.22 174.27 1sg5 s SER 74 N 1.79 5.83 -0.08 1.98 0.15 0.74 -1.50 113.70 122.61 1sg5 s SER 74 Ca 0.01 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 1.09 -0.49 3.44 0.09 -0.14 -1.94 115.29 115.76 1sg5 s HIS 75 Ca 0.32 -0.44 -0.46 0.00 -0.00 0.00 0.00 55.06 54.47 1sg5 s HIS 75 Cb -0.11 -0.98 -0.19 0.00 -0.00 0.00 0.00 32.58 31.29 1sg5 s HIS 75 CO 0.25 -0.38 1.72 -2.30 -0.00 0.00 0.00 174.74 174.03 1sg5 n PRO 76 N 4.74 0.08 -1.68 8.40 -0.02 -1.26 0.47 135.00 145.74 1sg5 n PRO 76 Ca -0.14 0.03 -0.18 0.00 -2.02 0.00 0.00 63.50 61.19 1sg5 n PRO 76 Cb 0.50 -1.55 -0.06 0.00 -0.02 0.00 0.00 33.50 32.37 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 4.78 -1.30 0.01 -0.52 2.13 -1.26 -4.83 120.64 119.65 1sg5 n GLU 77 Ca 0.35 1.09 0.00 0.00 0.66 0.00 0.00 57.16 59.26 1sg5 n GLU 77 Cb -0.04 -5.41 0.00 0.00 0.27 0.00 0.00 31.44 26.26 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 -2.76 0.20 0.00 6.31 2.08 0.18 -5.17 119.36 120.19 1sg5 n ILE 78 Ca -0.19 0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.19 1sg5 n ILE 78 Cb 0.61 -1.04 0.00 0.00 -0.75 0.00 0.00 39.64 38.46 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 3.37 -0.49 3.20 7.39 0.00 -0.98 -4.97 105.19 112.71 1sg5 n GLY 79 Ca 0.00 -1.26 -0.32 0.00 0.00 0.00 0.00 46.02 44.44 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 2.04 -0.16 2.61 -1.32 -1.26 -0.96 115.64 114.59 1sg5 s THR 80 Ca 0.00 -1.00 -0.01 0.00 -1.21 0.00 0.00 61.69 59.47 1sg5 s THR 80 Cb 0.00 -1.78 -0.01 0.00 -1.51 0.00 0.00 72.50 69.20 1sg5 s THR 80 CO 0.00 0.55 -0.12 -0.69 -2.21 0.00 0.00 174.62 172.16 1sg5 s VAL 81 N 0.52 3.03 -0.12 5.08 1.01 -0.56 -4.86 120.40 124.49 1sg5 s VAL 81 Ca -0.15 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 1sg5 s VAL 81 Cb -0.17 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 1sg5 s VAL 81 CO 0.05 0.50 0.06 -0.69 0.00 0.00 0.00 175.10 175.02 1sg5 s VAL 82 N 0.75 4.83 0.00 2.92 1.01 -1.23 -1.23 120.40 127.45 1sg5 s VAL 82 Ca -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1sg5 s VAL 82 Cb -0.15 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.13 1sg5 s VAL 82 CO 0.01 0.57 0.00 0.55 0.00 0.00 0.00 175.10 176.23 1sg5 n VAL 83 N 2.50 0.00 -1.42 2.92 3.14 -0.67 -3.94 118.33 120.87 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 -1.54 -6.46 0.00 0.00 176.83 168.83 1sg5 n SER 84 N 0.36 -7.74 -4.77 6.55 3.41 -1.21 -4.70 113.62 105.51 1sg5 n SER 84 Ca 0.00 1.20 -0.38 0.00 -0.26 0.00 0.00 58.87 59.43 1sg5 n SER 84 Cb 0.00 -4.22 -0.06 0.00 -0.26 0.00 0.00 64.21 59.67 1sg5 n SER 84 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1sg5 s GLU 85 N -4.21 4.62 0.00 4.33 1.03 -1.25 -4.97 118.70 118.25 1sg5 s GLU 85 Ca 0.00 1.37 0.00 0.00 0.03 0.00 0.00 54.97 56.37 1sg5 s GLU 85 Cb 0.00 -2.88 0.00 0.00 -0.80 0.00 0.00 34.13 30.45 1sg5 s GLU 85 CO 0.00 0.31 0.50 0.45 -1.33 0.00 0.00 175.26 175.19