#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 7.06 0.11 7.83 0.01 -1.26 -4.96 113.70 122.50 1sg5 s SER 2 Ca 0.00 1.28 0.05 0.00 1.31 0.00 0.00 55.95 58.59 1sg5 s SER 2 Cb 0.00 -2.43 -0.22 0.00 0.21 0.00 0.00 66.02 63.58 1sg5 s SER 2 CO 0.00 -0.09 1.26 -0.03 0.41 0.00 0.00 173.24 174.79 1sg5 h MET 3 N 6.46 0.04 -0.65 12.44 1.85 -2.08 -3.45 114.93 129.55 1sg5 h MET 3 Ca -0.42 -0.07 0.20 0.00 -0.61 0.00 0.00 59.70 58.80 1sg5 h MET 3 Cb 1.20 0.03 -0.22 0.00 0.43 0.00 0.00 31.60 33.03 1sg5 h MET 3 CO 0.74 1.03 0.14 0.54 -0.40 0.00 0.00 176.91 178.96 1sg5 s ASN 4 N -6.77 -0.59 -0.21 1.39 4.22 -1.26 -5.04 114.94 106.68 1sg5 s ASN 4 Ca 0.00 0.54 -0.16 0.00 -2.14 0.00 0.00 52.86 51.10 1sg5 s ASN 4 Cb 0.10 1.56 -0.10 0.00 1.28 0.00 0.00 41.25 44.09 1sg5 s ASN 4 CO 0.83 -0.11 -0.18 0.47 -2.04 0.00 0.00 177.10 176.07 1sg5 n ASP 5 N 5.25 1.90 -2.53 3.54 8.00 -1.26 -4.82 116.55 126.62 1sg5 n ASP 5 Ca -0.07 0.43 -0.01 0.00 0.71 0.00 0.00 54.79 55.85 1sg5 n ASP 5 Cb 0.53 -0.85 0.07 0.00 -0.02 0.00 0.00 41.12 40.85 1sg5 n ASP 5 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1sg5 n THR 6 N -4.43 0.65 -2.36 -3.53 -2.24 -1.26 -5.07 114.28 96.03 1sg5 n THR 6 Ca -0.28 -1.92 -0.40 0.00 -2.27 0.00 0.00 64.05 59.18 1sg5 n THR 6 Cb 0.60 1.13 -0.03 0.00 -2.10 0.00 0.00 70.33 69.93 1sg5 n THR 6 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1sg5 s TYR 7 N -1.90 2.10 -0.03 4.78 2.02 -1.26 -4.99 117.35 118.07 1sg5 s TYR 7 Ca 0.20 0.33 -0.10 0.00 -0.37 0.00 0.00 57.07 57.13 1sg5 s TYR 7 Cb 0.35 -4.41 -0.05 0.00 -0.40 0.00 0.00 41.96 37.45 1sg5 s TYR 7 CO -0.08 -2.12 0.30 -0.65 -1.57 0.00 0.00 175.55 171.43 1sg5 s GLN 8 N 6.05 3.69 0.58 -0.62 1.11 -1.26 -4.86 119.66 124.36 1sg5 s GLN 8 Ca 0.49 0.13 0.35 0.00 0.01 0.00 0.00 55.36 56.34 1sg5 s GLN 8 Cb -0.10 -3.16 1.79 0.00 -1.01 0.00 0.00 33.01 30.53 1sg5 s GLN 8 CO 0.19 0.70 2.16 -1.35 0.01 0.00 0.00 175.29 177.00 1sg5 h PRO 9 N 4.55 0.00 0.00 2.91 0.11 -1.86 -2.92 132.00 134.78 1sg5 h PRO 9 Ca -0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1sg5 h PRO 9 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1sg5 h PRO 9 CO 0.62 0.04 0.00 1.51 -0.21 0.00 0.00 178.00 179.96 1sg5 n ILE 10 N -3.30 0.00 -2.65 4.15 3.06 -1.26 -3.42 119.36 115.94 1sg5 n ILE 10 Ca -0.02 0.00 -0.37 0.00 -2.50 0.00 0.00 62.75 59.87 1sg5 n ILE 10 Cb 0.19 0.00 -0.05 0.00 0.54 0.00 0.00 39.64 40.32 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 0.00 7.00 0.66 9.51 6.03 -1.26 -4.36 114.94 132.51 1sg5 s ASN 11 Ca 0.00 1.95 0.06 0.00 -1.03 0.00 0.00 52.86 53.83 1sg5 s ASN 11 Cb 0.00 -2.58 0.12 0.00 -3.03 0.00 0.00 41.25 35.76 1sg5 s ASN 11 CO 0.00 -0.32 0.90 0.00 -2.03 0.00 0.00 177.10 175.66 1sg5 h ASP 13 N -0.18 -0.44 0.00 0.00 3.58 -1.98 -3.19 116.42 114.20 1sg5 h ASP 13 Ca -0.31 0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.11 1sg5 h ASP 13 Cb 1.28 0.11 -0.01 0.00 1.72 0.00 0.00 39.33 42.43 1sg5 h ASP 13 CO 0.39 -0.09 -0.31 -2.24 -2.88 0.00 0.00 179.24 174.11 1sg5 h ASP 14 N -0.98 0.00 -0.24 2.28 3.04 -2.00 -3.30 116.42 115.22 1sg5 h ASP 14 Ca -0.05 -0.62 0.07 0.00 -3.24 0.00 0.00 57.03 53.19 1sg5 h ASP 14 Cb 0.40 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.68 1sg5 h ASP 14 CO 0.09 0.99 0.50 1.88 -2.04 0.00 0.00 179.24 180.66 1sg5 h TYR 15 N -1.00 0.00 0.08 4.15 -1.99 -1.99 0.70 116.97 116.93 1sg5 h TYR 15 Ca -0.07 0.00 -0.25 0.00 2.00 0.00 0.00 58.73 60.40 1sg5 h TYR 15 Cb 0.83 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.56 1sg5 h TYR 15 CO 0.15 0.00 -1.13 0.22 -0.00 0.00 0.00 178.16 177.40 1sg5 h ASP 16 N 0.00 0.37 0.27 3.88 3.58 -1.66 -2.06 116.42 120.79 1sg5 h ASP 16 Ca 0.11 -0.37 -0.34 0.00 0.42 0.00 0.00 57.03 56.86 1sg5 h ASP 16 Cb 1.12 -0.12 0.03 0.00 1.72 0.00 0.00 39.33 42.08 1sg5 h ASP 16 CO -0.00 1.26 -1.53 0.78 -2.88 0.00 0.00 179.24 176.86 1sg5 h ASN 17 N 0.09 0.78 0.61 2.28 -0.26 0.28 -2.40 115.58 116.96 1sg5 h ASN 17 Ca -0.10 -0.89 -0.27 0.00 -0.56 0.00 0.00 56.30 54.47 1sg5 h ASN 17 Cb 1.84 -0.25 -0.04 0.00 -1.06 0.00 0.00 38.32 38.81 1sg5 h ASN 17 CO 0.18 1.71 -1.50 0.25 -1.06 0.00 0.00 177.43 177.01 1sg5 h LEU 18 N 0.14 0.08 0.16 1.61 5.85 -1.33 -2.84 115.31 118.97 1sg5 h LEU 18 Ca -0.27 -0.12 -0.29 0.00 0.84 0.00 0.00 57.88 58.03 1sg5 h LEU 18 Cb 2.15 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 43.17 1sg5 h LEU 18 CO 0.25 1.11 -1.42 -0.33 -0.34 0.00 0.00 178.44 177.71 1sg5 h GLU 19 N 0.01 0.35 -0.14 1.25 4.39 -1.53 -1.73 114.58 117.18 1sg5 h GLU 19 Ca -0.21 -0.59 -0.18 0.00 0.34 0.00 0.00 59.36 58.72 1sg5 h GLU 19 Cb 1.95 0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 30.82 1sg5 h GLU 19 CO 0.11 1.28 -0.66 1.25 -1.16 0.00 0.00 179.01 179.83 1sg5 h LEU 20 N -0.12 0.61 0.00 1.33 7.12 -1.53 0.50 115.31 123.21 1sg5 h LEU 20 Ca -0.28 -0.37 -0.00 0.00 0.13 0.00 0.00 57.88 57.36 1sg5 h LEU 20 Cb 1.91 -0.18 -0.00 0.00 -0.53 0.00 0.00 40.66 41.86 1sg5 h LEU 20 CO 0.14 1.10 -0.04 0.00 -0.13 0.00 0.00 178.44 179.52 1sg5 h ALA 21 N 0.89 0.00 0.18 1.25 0.00 -1.64 -2.28 119.26 117.67 1sg5 h ALA 21 Ca -0.02 -0.11 -0.32 0.00 0.00 0.00 0.00 54.91 54.46 1sg5 h ALA 21 Cb 1.23 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.07 1sg5 h ALA 21 CO 0.12 0.04 -1.51 0.00 0.00 0.00 0.00 179.25 177.90 1sg5 h GLN 23 N 0.10 0.00 0.00 0.00 1.08 -0.32 -3.37 115.11 112.61 1sg5 h GLN 23 Ca -0.25 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 56.81 1sg5 h GLN 23 Cb 2.08 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 29.48 1sg5 h GLN 23 CO 0.21 0.00 -1.52 0.72 -0.95 0.00 0.00 178.83 177.29 1sg5 n HIS 24 N -2.89 0.00 -3.31 2.96 8.25 0.14 -4.35 115.22 116.01 1sg5 n HIS 24 Ca 0.02 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.32 1sg5 n HIS 24 Cb 0.54 -0.37 0.08 0.00 1.12 0.00 0.00 29.99 31.35 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 -2.31 -2.07 0.00 4.41 -0.00 0.93 -2.74 115.22 113.44 1sg5 n HIS 25 Ca -0.13 0.85 0.00 0.00 0.46 0.00 0.00 57.72 58.91 1sg5 n HIS 25 Cb 0.74 -4.74 0.00 0.00 -0.12 0.00 0.00 29.99 25.88 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 -3.93 0.00 -4.53 0.27 4.32 -1.16 -4.85 117.00 107.12 1sg5 n LEU 26 Ca -0.21 0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.35 1sg5 n LEU 26 Cb 0.63 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.37 1sg5 n LEU 26 CO 0.55 0.00 0.39 -0.04 -1.22 0.00 0.00 177.39 177.07 1sg5 s MET 27 N 0.00 3.38 0.18 3.23 -1.94 -1.11 -2.96 119.30 120.08 1sg5 s MET 27 Ca 0.00 -0.26 0.09 0.00 -1.71 0.00 0.00 55.69 53.81 1sg5 s MET 27 Cb 0.00 -3.92 -0.04 0.00 2.01 0.00 0.00 34.83 32.88 1sg5 s MET 27 CO 0.00 -0.95 -0.11 -0.48 -0.01 0.00 0.00 175.02 173.48 1sg5 s LEU 28 N 2.81 2.92 -0.33 -0.03 2.34 -1.04 -4.73 118.68 120.63 1sg5 s LEU 28 Ca 0.23 -0.61 -0.02 0.00 0.06 0.00 0.00 54.13 53.79 1sg5 s LEU 28 Cb -0.14 -1.61 0.07 0.00 -0.56 0.00 0.00 46.19 43.95 1sg5 s LEU 28 CO 0.18 0.10 0.06 -0.89 -1.06 0.00 0.00 176.35 174.74 1sg5 s THR 29 N -1.73 3.02 -0.06 5.48 2.01 -1.03 -0.73 115.64 122.60 1sg5 s THR 29 Ca 0.25 -1.62 -0.12 0.00 0.31 0.00 0.00 61.69 60.51 1sg5 s THR 29 Cb -0.09 -2.86 -0.05 0.00 0.01 0.00 0.00 72.50 69.52 1sg5 s THR 29 CO 0.15 -0.29 0.30 -0.76 -0.69 0.00 0.00 174.62 173.33 1sg5 s LEU 30 N 1.20 4.42 0.07 4.42 1.43 0.11 -0.39 118.68 129.94 1sg5 s LEU 30 Ca -0.01 0.74 0.05 0.00 -1.03 0.00 0.00 54.13 53.88 1sg5 s LEU 30 Cb -0.20 -2.38 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 1sg5 s LEU 30 CO -0.02 0.33 -0.13 -1.83 0.23 0.00 0.00 176.35 174.92 1sg5 s GLU 31 N -0.88 0.79 0.24 1.70 -1.05 0.65 -0.36 118.70 119.79 1sg5 s GLU 31 Ca 0.20 -0.94 0.09 0.00 -0.15 0.00 0.00 54.97 54.17 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 0.16 -0.16 -0.51 0.95 0.00 0.00 175.26 175.79 1sg5 s LEU 32 N -1.76 2.57 0.48 1.83 1.43 -0.93 -2.37 118.68 119.93 1sg5 s LEU 32 Ca -0.03 -1.04 0.37 0.00 -1.03 0.00 0.00 54.13 52.40 1sg5 s LEU 32 Cb -0.10 -0.85 1.53 0.00 0.03 0.00 0.00 46.19 46.81 1sg5 s LEU 32 CO 0.02 -0.10 1.62 0.11 0.23 0.00 0.00 176.35 178.23 1sg5 h LYS 33 N 2.42 0.05 -1.21 1.70 1.57 -1.94 0.99 116.57 120.14 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 1.24 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1sg5 h LYS 33 CO 0.62 0.03 0.00 -3.47 -0.57 0.00 0.00 179.45 176.06 1sg5 n ASP 34 N -4.45 2.89 -2.32 0.86 -0.08 -1.26 -4.74 116.55 107.44 1sg5 n ASP 34 Ca 0.39 -1.82 -0.13 0.00 -1.51 0.00 0.00 54.79 51.72 1sg5 n ASP 34 Cb 1.60 -0.50 -0.01 0.00 2.34 0.00 0.00 41.12 44.54 1sg5 n ASP 34 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1sg5 n GLY 35 N 0.67 -0.31 3.78 0.27 0.00 0.34 -4.91 105.19 105.02 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 -4.82 3.35 -0.27 1.61 2.56 -0.79 -4.79 118.70 115.55 1sg5 s GLU 36 Ca 0.00 1.51 -0.07 0.00 0.00 0.00 0.00 54.97 56.40 1sg5 s GLU 36 Cb 0.00 -2.01 0.13 0.00 2.00 0.00 0.00 34.13 34.24 1sg5 s GLU 36 CO 0.00 -0.83 0.56 0.21 -0.56 0.00 0.00 175.26 174.64 1sg5 s LYS 37 N -3.45 0.49 -0.16 4.30 2.20 -1.22 -2.18 119.74 119.72 1sg5 s LYS 37 Ca 0.70 1.22 -0.11 0.00 -0.36 0.00 0.00 55.97 57.42 1sg5 s LYS 37 Cb -0.21 0.59 0.05 0.00 -1.51 0.00 0.00 37.83 36.75 1sg5 s LYS 37 CO 0.28 -0.30 0.41 -0.48 -0.36 0.00 0.00 175.35 174.90 1sg5 s LEU 38 N 2.79 0.14 0.05 5.43 -0.00 0.52 -4.93 118.68 122.67 1sg5 s LEU 38 Ca 0.00 0.86 -0.04 0.00 -0.00 0.00 0.00 54.13 54.95 1sg5 s LEU 38 Cb -0.13 1.36 -0.05 0.00 -0.00 0.00 0.00 46.19 47.38 1sg5 s LEU 38 CO -0.17 -0.17 0.26 -1.58 -0.00 0.00 0.00 176.35 174.68 1sg5 s GLN 39 N 0.89 3.52 -0.06 1.48 0.74 -1.24 0.09 119.66 125.08 1sg5 s GLN 39 Ca -0.05 -0.22 0.01 0.00 0.05 0.00 0.00 55.36 55.14 1sg5 s GLN 39 Cb -0.06 -3.03 0.02 0.00 1.10 0.00 0.00 33.01 31.05 1sg5 s GLN 39 CO -0.07 0.61 -0.06 0.00 -0.55 0.00 0.00 175.29 175.22 1sg5 s ALA 40 N -1.43 0.91 0.27 1.58 0.00 0.09 -4.91 121.76 118.26 1sg5 s ALA 40 Ca 0.32 -0.22 -0.29 0.00 0.00 0.00 0.00 51.96 51.77 1sg5 s ALA 40 Cb -0.13 -0.57 -0.09 0.00 0.00 0.00 0.00 23.12 22.33 1sg5 s ALA 40 CO 0.21 -0.10 0.96 0.21 0.00 0.00 0.00 175.76 177.05 1sg5 s LYS 41 N 1.11 4.74 0.56 0.00 2.36 -1.26 -2.49 119.74 124.76 1sg5 s LYS 41 Ca -0.08 1.49 0.00 0.00 -2.55 0.00 0.00 55.97 54.83 1sg5 s LYS 41 Cb -0.14 -3.12 0.00 0.00 -1.05 0.00 0.00 37.83 33.52 1sg5 s LYS 41 CO -0.01 0.40 0.00 0.00 1.55 0.00 0.00 175.35 177.29 1sg5 n ALA 42 N 1.16 -1.94 0.00 3.13 0.00 -1.16 -3.93 120.51 117.78 1sg5 n ALA 42 Ca -0.01 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.90 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 -2.08 0.00 -3.67 0.00 3.41 -1.26 -3.42 113.62 106.60 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 0.33 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.21 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 0.65 0.19 4.04 -4.77 0.57 -4.91 116.67 112.44 1sg5 s ASP 44 Ca 0.00 -1.40 0.09 0.00 -3.30 0.00 0.00 52.55 47.94 1sg5 s ASP 44 Cb 0.00 0.55 -0.04 0.00 -1.09 0.00 0.00 42.92 42.34 1sg5 s ASP 44 CO 0.00 -1.10 -0.17 -0.22 0.70 0.00 0.00 175.17 174.38 1sg5 s LEU 45 N -3.20 2.50 0.00 2.11 0.20 -1.26 -0.01 118.68 119.03 1sg5 s LEU 45 Ca 0.33 -0.94 0.03 0.00 0.69 0.00 0.00 54.13 54.24 1sg5 s LEU 45 Cb 0.02 -0.82 -0.01 0.00 -0.43 0.00 0.00 46.19 44.96 1sg5 s LEU 45 CO 0.17 -0.07 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.38 1sg5 s VAL 46 N -2.43 0.69 -0.10 1.68 1.01 0.58 -4.83 120.40 117.00 1sg5 s VAL 46 Ca 0.20 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 1sg5 s VAL 46 Cb -0.04 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 1sg5 s VAL 46 CO 0.08 0.14 0.13 -0.94 0.00 0.00 0.00 175.10 174.50 1sg5 s SER 47 N -0.36 6.21 0.08 3.32 1.04 -1.26 -0.34 113.70 122.39 1sg5 s SER 47 Ca 0.02 0.40 0.01 0.00 0.48 0.00 0.00 55.95 56.87 1sg5 s SER 47 Cb -0.04 -1.97 -0.04 0.00 0.10 0.00 0.00 66.02 64.07 1sg5 s SER 47 CO -0.00 0.38 0.19 -0.60 0.98 0.00 0.00 173.24 174.19 1sg5 s ARG 48 N -1.14 3.29 0.59 4.02 6.06 -0.85 -4.86 118.95 126.06 1sg5 s ARG 48 Ca 0.16 -0.54 0.29 0.00 -2.50 0.00 0.00 55.73 53.14 1sg5 s ARG 48 Cb -0.12 -2.94 1.38 0.00 0.06 0.00 0.00 34.95 33.33 1sg5 s ARG 48 CO 0.06 0.58 1.78 0.87 -2.50 0.00 0.00 175.30 176.09 1sg5 h LYS 49 N 2.95 0.00 0.00 5.12 1.57 -2.03 -0.70 116.57 123.48 1sg5 h LYS 49 Ca -0.46 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 57.97 1sg5 h LYS 49 Cb 1.17 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.41 1sg5 h LYS 49 CO 0.72 0.00 -2.30 0.09 -0.57 0.00 0.00 179.45 177.39 1sg5 n ASN 50 N -3.63 0.69 0.00 0.86 5.03 -1.26 -5.07 115.26 111.88 1sg5 n ASN 50 Ca 0.12 -0.02 0.00 0.00 0.87 0.00 0.00 54.58 55.55 1sg5 n ASN 50 Cb 0.87 0.73 0.00 0.00 -1.02 0.00 0.00 39.78 40.35 1sg5 n ASN 50 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 1sg5 n VAL 51 N -2.78 0.00 0.00 2.41 0.24 -0.27 -4.99 118.33 112.94 1sg5 n VAL 51 Ca -0.33 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 1sg5 n VAL 51 Cb 1.08 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.45 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 -2.01 120.64 120.72 1sg5 n GLU 52 Ca 0.00 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 56.84 1sg5 n GLU 52 Cb 0.00 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 32.77 1sg5 n GLU 52 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 1sg5 s TYR 53 N -0.91 1.38 0.06 -1.84 1.13 0.54 -4.52 117.35 113.19 1sg5 s TYR 53 Ca 0.00 -0.65 -0.05 0.00 -1.41 0.00 0.00 57.07 54.96 1sg5 s TYR 53 Cb 0.00 -0.70 -0.05 0.00 -1.10 0.00 0.00 41.96 40.12 1sg5 s TYR 53 CO 0.00 0.15 0.30 -1.17 -2.51 0.00 0.00 175.55 172.32 1sg5 s LEU 54 N -2.93 4.34 -0.13 -3.49 2.96 -1.03 -0.31 118.68 118.10 1sg5 s LEU 54 Ca 0.15 0.54 -0.01 0.00 -0.22 0.00 0.00 54.13 54.59 1sg5 s LEU 54 Cb -0.01 -2.91 0.03 0.00 0.50 0.00 0.00 46.19 43.80 1sg5 s LEU 54 CO 0.02 0.18 -0.06 0.68 -1.32 0.00 0.00 176.35 175.86 1sg5 s VAL 55 N -1.44 0.95 -0.12 1.68 -7.23 0.99 -1.95 120.40 113.28 1sg5 s VAL 55 Ca 0.33 -0.34 -0.03 0.00 -1.81 0.00 0.00 61.98 60.13 1sg5 s VAL 55 Cb -0.13 -1.05 -0.03 0.00 0.56 0.00 0.00 36.38 35.73 1sg5 s VAL 55 CO 0.20 0.27 -0.01 0.68 -0.31 0.00 0.00 175.10 175.93 1sg5 s VAL 56 N 1.73 4.20 -0.37 1.32 -7.23 -0.81 -0.31 120.40 118.92 1sg5 s VAL 56 Ca 0.04 -0.27 -0.05 0.00 -1.81 0.00 0.00 61.98 59.89 1sg5 s VAL 56 Cb -0.13 -2.81 0.08 0.00 0.56 0.00 0.00 36.38 34.08 1sg5 s VAL 56 CO -0.08 0.55 0.15 -1.61 -0.31 0.00 0.00 175.10 173.80 1sg5 s GLU 57 N -0.27 2.37 -1.41 4.82 2.02 -1.22 -0.33 118.70 124.68 1sg5 s GLU 57 Ca 0.06 -1.48 -0.14 0.00 0.02 0.00 0.00 54.97 53.43 1sg5 s GLU 57 Cb -0.12 -3.52 0.06 0.00 0.10 0.00 0.00 34.13 30.65 1sg5 s GLU 57 CO 0.02 -0.86 2.12 0.00 0.02 0.00 0.00 175.26 176.56 1sg5 n ALA 58 N 4.72 5.31 -3.98 5.21 0.00 0.69 -4.43 120.51 128.04 1sg5 n ALA 58 Ca -0.09 -3.95 -0.32 0.00 0.00 0.00 0.00 53.44 49.08 1sg5 n ALA 58 Cb 0.43 -3.45 -0.01 0.00 0.00 0.00 0.00 19.45 16.42 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 5.96 -1.22 0.00 0.00 0.00 -1.26 -2.48 120.51 121.50 1sg5 n ALA 59 Ca 0.50 0.07 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1sg5 n ALA 59 Cb 0.39 -3.66 0.00 0.00 0.00 0.00 0.00 19.45 16.19 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 -1.43 1.37 3.34 0.00 0.00 -1.26 -5.09 105.19 102.12 1sg5 n GLY 60 Ca 0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 2.93 -0.02 1.61 0.41 -1.04 -5.05 118.70 117.53 1sg5 s GLU 61 Ca 0.00 -1.51 -0.27 0.00 -0.41 0.00 0.00 54.97 52.78 1sg5 s GLU 61 Cb 0.00 -4.15 -0.03 0.00 -1.78 0.00 0.00 34.13 28.16 1sg5 s GLU 61 CO 0.00 -1.14 0.87 0.95 -0.49 0.00 0.00 175.26 175.45 1sg5 s THR 62 N 1.59 4.93 0.21 3.63 -4.23 -1.26 -0.23 115.64 120.29 1sg5 s THR 62 Ca 0.04 1.82 0.04 0.00 -1.18 0.00 0.00 61.69 62.40 1sg5 s THR 62 Cb -0.26 -4.21 -0.05 0.00 1.34 0.00 0.00 72.50 69.32 1sg5 s THR 62 CO 0.05 0.20 -0.04 -0.13 -0.54 0.00 0.00 174.62 174.15 1sg5 s ARG 63 N 0.91 1.26 -0.28 3.99 1.81 0.55 -4.98 118.95 122.21 1sg5 s ARG 63 Ca 0.46 -1.61 0.01 0.00 -1.72 0.00 0.00 55.73 52.87 1sg5 s ARG 63 Cb -0.20 -0.66 0.08 0.00 -0.45 0.00 0.00 34.95 33.72 1sg5 s ARG 63 CO 0.24 -0.03 0.01 -1.21 -0.68 0.00 0.00 175.30 173.64 1sg5 s GLU 64 N -3.81 1.34 -0.06 3.54 2.02 -1.26 -1.92 118.70 118.55 1sg5 s GLU 64 Ca 0.25 -1.22 0.04 0.00 0.02 0.00 0.00 54.97 54.06 1sg5 s GLU 64 Cb 0.04 -2.58 -0.00 0.00 0.10 0.00 0.00 34.13 31.69 1sg5 s GLU 64 CO 0.06 -0.78 -0.19 -0.51 0.02 0.00 0.00 175.26 173.86 1sg5 s LEU 65 N 1.34 1.93 0.00 1.80 2.01 -0.82 -4.66 118.68 120.28 1sg5 s LEU 65 Ca 0.02 -0.40 0.00 0.00 0.01 0.00 0.00 54.13 53.76 1sg5 s LEU 65 Cb -0.18 -1.08 0.00 0.00 0.01 0.00 0.00 46.19 44.93 1sg5 s LEU 65 CO -0.11 0.15 0.00 0.54 1.01 0.00 0.00 176.35 177.94 1sg5 n ARG 66 N 3.26 0.00 0.10 1.70 3.00 -1.26 -2.47 116.66 120.99 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 0.53 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 -0.11 0.00 0.00 0.00 177.63 177.52 1sg5 n LEU 67 N 0.00 0.63 -0.63 0.55 7.94 -1.26 -2.77 117.00 121.46 1sg5 n LEU 67 Ca 0.00 0.60 0.06 0.00 -1.11 0.00 0.00 56.01 55.55 1sg5 n LEU 67 Cb 0.00 -0.44 0.16 0.00 0.53 0.00 0.00 43.42 43.66 1sg5 n LEU 67 CO 0.00 -0.31 0.63 -0.90 -1.11 0.00 0.00 177.39 175.70 1sg5 n ASP 68 N -2.14 2.99 -3.10 1.96 5.75 -1.26 -5.00 116.55 115.75 1sg5 n ASP 68 Ca 0.04 -2.14 -0.05 0.00 -0.01 0.00 0.00 54.79 52.63 1sg5 n ASP 68 Cb 0.33 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 1sg5 n ASP 68 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1sg5 n LYS 69 N 0.30 -1.59 -2.35 0.11 5.02 -1.12 -4.88 118.16 113.66 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 0.48 -5.28 -0.03 0.00 -0.02 0.00 0.00 35.03 30.18 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 -2.86 3.78 0.04 -0.18 1.10 -1.26 -4.65 121.20 117.16 1sg5 s ILE 70 Ca 0.07 1.30 -0.08 0.00 -0.51 0.00 0.00 60.65 61.43 1sg5 s ILE 70 Cb -0.02 -3.83 -0.02 0.00 0.15 0.00 0.00 42.46 38.74 1sg5 s ILE 70 CO 0.77 0.11 0.61 0.41 -2.11 0.00 0.00 174.94 174.74 1sg5 n THR 71 N 3.75 -0.18 -3.61 4.00 -1.04 -1.26 -2.79 114.28 113.16 1sg5 n THR 71 Ca 0.09 0.95 -0.15 0.00 -2.04 0.00 0.00 64.05 62.90 1sg5 n THR 71 Cb 0.45 -1.20 -0.06 0.00 -1.82 0.00 0.00 70.33 67.69 1sg5 n THR 71 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1sg5 s SER 72 N -4.22 -0.44 -0.02 8.00 0.15 -1.00 -1.75 113.70 114.41 1sg5 s SER 72 Ca -0.03 0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.95 1sg5 s SER 72 Cb 0.03 0.46 0.03 0.00 -1.71 0.00 0.00 66.02 64.83 1sg5 s SER 72 CO 0.16 -0.61 0.03 0.72 1.20 0.00 0.00 173.24 174.74 1sg5 s PHE 73 N -1.72 0.06 0.11 3.44 -0.12 -0.75 -0.25 117.98 118.76 1sg5 s PHE 73 Ca -0.09 0.12 0.05 0.00 -0.05 0.00 0.00 56.93 56.95 1sg5 s PHE 73 Cb -0.02 -0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 42.07 1sg5 s PHE 73 CO 0.04 -0.10 0.03 0.45 -0.05 0.00 0.00 175.22 175.59 1sg5 s SER 74 N 1.08 5.11 -0.11 1.98 0.15 0.48 -0.99 113.70 121.39 1sg5 s SER 74 Ca -0.09 -0.19 0.02 0.00 0.70 0.00 0.00 55.95 56.39 1sg5 s SER 74 Cb -0.13 -1.23 0.01 0.00 -1.71 0.00 0.00 66.02 62.96 1sg5 s SER 74 CO -0.03 0.14 -0.16 -1.38 1.20 0.00 0.00 173.24 173.02 1sg5 s HIS 75 N -1.46 2.04 -0.51 3.44 -3.43 0.33 -2.47 115.29 113.23 1sg5 s HIS 75 Ca 0.27 -0.98 -0.43 0.00 -0.80 0.00 0.00 55.06 53.13 1sg5 s HIS 75 Cb -0.11 -1.47 -0.19 0.00 -1.43 0.00 0.00 32.58 29.39 1sg5 s HIS 75 CO 0.20 -0.50 2.12 -2.30 -2.00 0.00 0.00 174.74 172.25 1sg5 n PRO 76 N 4.22 0.00 -2.13 -0.38 -0.02 -1.26 0.66 135.00 136.09 1sg5 n PRO 76 Ca -0.19 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.10 1sg5 n PRO 76 Cb 0.51 -1.47 -0.03 0.00 -0.02 0.00 0.00 33.50 32.49 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 7.39 -1.47 0.04 -0.52 -0.58 -1.26 -4.84 120.64 119.39 1sg5 n GLU 77 Ca 0.54 1.00 0.00 0.00 -0.42 0.00 0.00 57.16 58.28 1sg5 n GLU 77 Cb -0.04 -5.49 0.00 0.00 -0.57 0.00 0.00 31.44 25.34 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 -3.56 0.77 0.00 -3.67 2.08 0.21 -5.17 119.36 110.02 1sg5 n ILE 78 Ca -0.22 0.26 0.00 0.00 0.56 0.00 0.00 62.75 63.35 1sg5 n ILE 78 Cb 0.66 -1.32 0.00 0.00 -0.75 0.00 0.00 39.64 38.23 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 -0.02 3.23 7.39 0.00 -1.02 -4.96 105.19 113.17 1sg5 n GLY 79 Ca 0.00 -1.25 -0.31 0.00 0.00 0.00 0.00 46.02 44.46 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 1.98 -0.17 2.61 -1.32 -1.26 -0.51 115.64 114.97 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 -1.69 -0.00 0.00 -1.51 0.00 0.00 72.50 69.29 1sg5 s THR 80 CO 0.00 0.55 -0.12 -0.69 -2.21 0.00 0.00 174.62 172.15 1sg5 s VAL 81 N 0.13 2.92 -0.10 5.08 1.01 -0.16 -4.85 120.40 124.42 1sg5 s VAL 81 Ca -0.11 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 1sg5 s VAL 81 Cb -0.16 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 1sg5 s VAL 81 CO 0.06 0.49 0.05 -0.69 0.00 0.00 0.00 175.10 175.01 1sg5 s VAL 82 N 0.94 4.71 0.00 2.92 1.01 -1.22 -1.81 120.40 126.95 1sg5 s VAL 82 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1sg5 s VAL 82 Cb -0.15 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1sg5 s VAL 82 CO -0.01 0.61 0.00 0.55 0.00 0.00 0.00 175.10 176.25 1sg5 n VAL 83 N 2.11 0.00 -0.05 2.92 3.14 -0.72 -4.76 118.33 120.97 1sg5 n VAL 83 Ca -0.19 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.08 1sg5 n VAL 83 Cb 0.54 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.26 1sg5 n VAL 83 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1sg5 h SER 84 N 0.55 -1.37 -2.92 6.55 0.02 -1.72 -3.42 113.55 111.24 1sg5 h SER 84 Ca 0.00 0.19 -0.56 0.00 -0.84 0.00 0.00 61.79 60.58 1sg5 h SER 84 Cb 0.00 0.57 0.19 0.00 0.14 0.00 0.00 62.40 63.31 1sg5 h SER 84 CO 0.00 -0.40 -0.66 -0.62 -1.14 0.00 0.00 176.83 174.01 1sg5 n GLU 85 N -5.43 0.20 0.00 3.45 4.71 -1.10 -4.94 120.64 117.54 1sg5 n GLU 85 Ca -0.03 0.10 0.03 0.00 -0.01 0.00 0.00 57.16 57.26 1sg5 n GLU 85 Cb 0.36 -1.62 0.20 0.00 -1.01 0.00 0.00 31.44 29.36 1sg5 n GLU 85 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65