#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 6.83 0.28 3.17 0.15 -1.26 -5.07 113.70 117.80 1sg5 s SER 2 Ca 0.00 0.98 -0.17 0.00 0.70 0.00 0.00 55.95 57.46 1sg5 s SER 2 Cb 0.00 -2.29 0.01 0.00 -1.71 0.00 0.00 66.02 62.04 1sg5 s SER 2 CO 0.00 0.21 0.64 -0.04 1.20 0.00 0.00 173.24 175.25 1sg5 s MET 3 N -0.56 1.76 0.00 5.44 1.00 -1.26 -5.07 119.30 120.61 1sg5 s MET 3 Ca 0.25 -1.15 0.00 0.00 0.00 0.00 0.00 55.69 54.80 1sg5 s MET 3 Cb -0.17 0.56 0.00 0.00 0.00 0.00 0.00 34.83 35.22 1sg5 s MET 3 CO 0.14 -0.78 0.00 0.09 0.00 0.00 0.00 175.02 174.46 1sg5 n ASN 4 N -0.56 0.00 -3.62 3.03 5.03 -1.26 -5.05 115.26 112.83 1sg5 n ASN 4 Ca -0.03 0.00 -0.27 0.00 0.87 0.00 0.00 54.58 55.14 1sg5 n ASN 4 Cb 0.60 0.08 -0.11 0.00 -1.02 0.00 0.00 39.78 39.33 1sg5 n ASN 4 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1sg5 n ASP 5 N -1.59 1.64 -0.77 6.41 9.92 -1.26 -4.79 116.55 126.10 1sg5 n ASP 5 Ca 0.00 -2.90 -0.04 0.00 -0.53 0.00 0.00 54.79 51.32 1sg5 n ASP 5 Cb 0.00 -0.67 -0.04 0.00 -0.64 0.00 0.00 41.12 39.77 1sg5 n ASP 5 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1sg5 n THR 6 N 2.13 0.00 -3.64 -3.53 -2.24 -1.26 -5.09 114.28 100.65 1sg5 n THR 6 Ca 0.25 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.63 1sg5 n THR 6 Cb 0.41 0.30 -0.10 0.00 -2.10 0.00 0.00 70.33 68.85 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 0.00 3.44 -0.34 4.78 1.51 -1.26 -5.06 117.35 120.42 1sg5 s TYR 7 Ca 0.00 -1.93 -0.24 0.00 -1.01 0.00 0.00 57.07 53.89 1sg5 s TYR 7 Cb 0.00 -3.23 0.01 0.00 -0.11 0.00 0.00 41.96 38.63 1sg5 s TYR 7 CO 0.00 -0.94 0.84 -0.65 -1.11 0.00 0.00 175.55 173.69 1sg5 s GLN 8 N 1.32 3.89 0.63 -0.62 1.11 -1.26 -4.85 119.66 119.88 1sg5 s GLN 8 Ca 0.05 0.56 0.30 0.00 0.01 0.00 0.00 55.36 56.28 1sg5 s GLN 8 Cb -0.24 -3.77 1.60 0.00 -1.01 0.00 0.00 33.01 29.59 1sg5 s GLN 8 CO -0.01 -0.80 1.95 -1.35 0.01 0.00 0.00 175.29 175.08 1sg5 h PRO 9 N 8.28 0.00 0.00 2.91 0.11 -1.90 -3.41 132.00 137.99 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 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1sg5 h PRO 9 CO 0.93 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 180.23 1sg5 n ILE 10 N -3.28 0.00 -3.13 4.15 3.06 -1.26 -3.92 119.36 114.98 1sg5 n ILE 10 Ca 0.02 0.00 -0.35 0.00 -2.50 0.00 0.00 62.75 59.92 1sg5 n ILE 10 Cb 0.46 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 40.58 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 6.98 0.42 9.51 -0.87 -1.26 -3.57 114.94 126.14 1sg5 s ASN 11 Ca 0.00 1.36 0.06 0.00 -1.57 0.00 0.00 52.86 52.72 1sg5 s ASN 11 Cb 0.00 -2.40 0.07 0.00 -0.02 0.00 0.00 41.25 38.90 1sg5 s ASN 11 CO 0.00 -0.02 0.57 0.00 -2.57 0.00 0.00 177.10 175.08 1sg5 h ASP 13 N 0.04 -0.54 0.00 0.00 3.04 -1.99 -3.17 116.42 113.81 1sg5 h ASP 13 Ca -0.19 0.02 -0.05 0.00 -3.24 0.00 0.00 57.03 53.57 1sg5 h ASP 13 Cb 0.87 0.14 -0.01 0.00 -1.04 0.00 0.00 39.33 39.29 1sg5 h ASP 13 CO 0.27 -0.12 -0.27 -2.24 -2.04 0.00 0.00 179.24 174.84 1sg5 h ASP 14 N -1.17 0.00 -0.22 4.15 2.03 -2.00 -3.31 116.42 115.90 1sg5 h ASP 14 Ca -0.07 -0.75 0.06 0.00 -0.73 0.00 0.00 57.03 55.55 1sg5 h ASP 14 Cb 0.49 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.98 1sg5 h ASP 14 CO 0.11 1.03 0.50 1.88 -1.03 0.00 0.00 179.24 181.73 1sg5 h TYR 15 N -1.00 0.00 0.05 4.15 0.05 -1.99 0.72 116.97 118.95 1sg5 h TYR 15 Ca -0.07 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.48 1sg5 h TYR 15 Cb 0.93 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.66 1sg5 h TYR 15 CO 0.19 0.00 -1.05 0.22 -1.05 0.00 0.00 178.16 176.47 1sg5 h ASP 16 N 0.00 0.29 0.21 3.88 1.82 -1.64 -2.04 116.42 118.94 1sg5 h ASP 16 Ca 0.10 -0.28 -0.30 0.00 -0.39 0.00 0.00 57.03 56.16 1sg5 h ASP 16 Cb 1.09 -0.09 0.03 0.00 0.68 0.00 0.00 39.33 41.04 1sg5 h ASP 16 CO -0.00 1.16 -1.38 0.78 -1.61 0.00 0.00 179.24 178.19 1sg5 h ASN 17 N 0.08 0.71 0.88 2.28 -0.26 0.33 -2.44 115.58 117.16 1sg5 h ASN 17 Ca -0.07 -0.93 -0.21 0.00 -0.56 0.00 0.00 56.30 54.53 1sg5 h ASN 17 Cb 1.75 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 38.74 1sg5 h ASN 17 CO 0.16 1.65 -1.20 0.25 -1.06 0.00 0.00 177.43 177.24 1sg5 h LEU 18 N -0.00 0.00 0.17 1.61 6.46 -1.42 -2.72 115.31 119.41 1sg5 h LEU 18 Ca -0.25 0.00 -0.30 0.00 -0.12 0.00 0.00 57.88 57.21 1sg5 h LEU 18 Cb 2.02 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.96 1sg5 h LEU 18 CO 0.22 0.87 -1.45 -0.33 -0.62 0.00 0.00 178.44 177.13 1sg5 h GLU 19 N 0.00 0.35 -0.27 1.25 4.39 -1.52 -1.68 114.58 117.10 1sg5 h GLU 19 Ca -0.11 -0.61 -0.15 0.00 0.34 0.00 0.00 59.36 58.83 1sg5 h GLU 19 Cb 1.76 0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 30.63 1sg5 h GLU 19 CO 0.09 1.29 -0.43 1.25 -1.16 0.00 0.00 179.01 180.05 1sg5 h LEU 20 N -0.10 0.74 0.00 1.33 5.85 -1.57 1.31 115.31 122.87 1sg5 h LEU 20 Ca -0.29 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.08 1sg5 h LEU 20 Cb 1.93 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.75 1sg5 h LEU 20 CO 0.15 1.07 -0.04 0.00 -0.34 0.00 0.00 178.44 179.28 1sg5 h ALA 21 N 0.96 0.00 0.18 1.25 0.00 -1.62 0.17 119.26 120.21 1sg5 h ALA 21 Ca 0.04 -0.12 -0.32 0.00 0.00 0.00 0.00 54.91 54.51 1sg5 h ALA 21 Cb 0.98 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.82 1sg5 h ALA 21 CO 0.09 0.03 -1.48 0.00 0.00 0.00 0.00 179.25 177.89 1sg5 h GLN 23 N 0.11 0.15 0.00 0.00 1.08 -0.20 -3.39 115.11 112.86 1sg5 h GLN 23 Ca -0.24 -0.26 -0.31 0.00 -1.45 0.00 0.00 58.65 56.40 1sg5 h GLN 23 Cb 2.08 0.10 -0.06 0.00 -0.05 0.00 0.00 27.48 29.55 1sg5 h GLN 23 CO 0.22 0.97 -2.15 0.72 -0.95 0.00 0.00 178.83 177.64 1sg5 n HIS 24 N -3.35 0.00 -3.33 2.96 8.25 0.41 -4.90 115.22 115.26 1sg5 n HIS 24 Ca -0.13 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.10 1sg5 n HIS 24 Cb 1.02 -0.83 0.06 0.00 1.12 0.00 0.00 29.99 31.37 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 -2.65 -2.44 0.00 4.41 8.25 0.55 -2.52 115.22 120.82 1sg5 n HIS 25 Ca -0.28 0.79 0.00 0.00 -0.26 0.00 0.00 57.72 57.97 1sg5 n HIS 25 Cb 1.04 -4.72 0.00 0.00 1.12 0.00 0.00 29.99 27.43 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 -4.49 0.00 -4.51 2.41 4.77 -0.87 -4.85 117.00 109.47 1sg5 n LEU 26 Ca -0.04 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.51 1sg5 n LEU 26 Cb 0.58 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.63 1sg5 n LEU 26 CO 0.56 0.00 0.71 -0.04 -1.33 0.00 0.00 177.39 177.29 1sg5 s MET 27 N 0.00 3.30 0.22 3.23 -1.94 -1.05 -2.90 119.30 120.16 1sg5 s MET 27 Ca 0.00 -0.36 0.08 0.00 -1.71 0.00 0.00 55.69 53.70 1sg5 s MET 27 Cb 0.00 -4.07 -0.04 0.00 2.01 0.00 0.00 34.83 32.73 1sg5 s MET 27 CO 0.00 -1.48 -0.00 -0.48 -0.01 0.00 0.00 175.02 173.05 1sg5 s LEU 28 N 3.82 3.24 -0.34 -0.03 2.34 -1.02 -4.78 118.68 121.92 1sg5 s LEU 28 Ca 0.28 -0.52 -0.02 0.00 0.06 0.00 0.00 54.13 53.93 1sg5 s LEU 28 Cb -0.13 -1.84 0.07 0.00 -0.56 0.00 0.00 46.19 43.72 1sg5 s LEU 28 CO 0.18 0.05 0.07 -0.89 -1.06 0.00 0.00 176.35 174.69 1sg5 s THR 29 N -2.00 3.14 -0.07 5.48 2.01 -0.73 -0.78 115.64 122.69 1sg5 s THR 29 Ca 0.29 -1.57 -0.19 0.00 0.31 0.00 0.00 61.69 60.53 1sg5 s THR 29 Cb -0.08 -2.91 -0.05 0.00 0.01 0.00 0.00 72.50 69.47 1sg5 s THR 29 CO 0.19 -0.29 0.53 -0.22 -0.69 0.00 0.00 174.62 174.14 1sg5 s LEU 30 N 1.23 4.34 0.06 4.42 2.96 0.10 -0.04 118.68 131.75 1sg5 s LEU 30 Ca -0.01 0.96 0.05 0.00 -0.22 0.00 0.00 54.13 54.92 1sg5 s LEU 30 Cb -0.21 -2.79 -0.03 0.00 0.50 0.00 0.00 46.19 43.67 1sg5 s LEU 30 CO -0.02 0.04 -0.15 -1.83 -1.32 0.00 0.00 176.35 173.08 1sg5 s GLU 31 N 0.28 0.87 0.23 1.98 -1.05 0.25 -0.51 118.70 120.75 1sg5 s GLU 31 Ca 0.28 -0.92 0.09 0.00 -0.15 0.00 0.00 54.97 54.28 1sg5 s GLU 31 Cb -0.16 -0.90 -0.05 0.00 -0.44 0.00 0.00 34.13 32.58 1sg5 s GLU 31 CO 0.13 0.21 -0.15 -0.51 0.95 0.00 0.00 175.26 175.89 1sg5 s LEU 32 N -1.59 2.56 0.45 1.83 1.43 -0.95 -2.49 118.68 119.93 1sg5 s LEU 32 Ca -0.00 -1.04 0.33 0.00 -1.03 0.00 0.00 54.13 52.39 1sg5 s LEU 32 Cb -0.09 -0.78 1.47 0.00 0.03 0.00 0.00 46.19 46.82 1sg5 s LEU 32 CO 0.02 -0.13 1.61 0.11 0.23 0.00 0.00 176.35 178.19 1sg5 h LYS 33 N 2.47 0.06 -1.28 1.70 1.79 -1.95 0.95 116.57 120.31 1sg5 h LYS 33 Ca -0.39 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 1sg5 h LYS 33 Cb 1.23 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1sg5 h LYS 33 CO 0.62 0.04 0.00 -3.47 -1.08 0.00 0.00 179.45 175.56 1sg5 n ASP 34 N -4.62 2.67 -2.30 0.86 2.03 -1.26 -4.73 116.55 109.19 1sg5 n ASP 34 Ca 0.38 -1.69 -0.14 0.00 0.52 0.00 0.00 54.79 53.87 1sg5 n ASP 34 Cb 1.51 -0.47 -0.01 0.00 -0.72 0.00 0.00 41.12 41.43 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 0.71 -0.27 3.78 0.27 0.00 0.32 -4.92 105.19 105.08 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 -4.79 3.32 -0.30 1.61 2.56 -0.79 -4.79 118.70 115.52 1sg5 s GLU 36 Ca 0.00 1.53 -0.07 0.00 0.00 0.00 0.00 54.97 56.43 1sg5 s GLU 36 Cb 0.00 -2.01 0.15 0.00 2.00 0.00 0.00 34.13 34.27 1sg5 s GLU 36 CO 0.00 -0.86 0.63 0.15 -0.56 0.00 0.00 175.26 174.62 1sg5 s LYS 37 N -3.45 0.57 -0.15 4.30 1.02 -1.18 -2.24 119.74 118.61 1sg5 s LYS 37 Ca 0.71 1.30 -0.09 0.00 0.02 0.00 0.00 55.97 57.91 1sg5 s LYS 37 Cb -0.22 0.76 0.05 0.00 -0.52 0.00 0.00 37.83 37.90 1sg5 s LYS 37 CO 0.29 -0.34 0.37 -0.48 -0.92 0.00 0.00 175.35 174.27 1sg5 s LEU 38 N 2.88 0.16 0.12 3.17 -0.00 0.34 -4.91 118.68 120.43 1sg5 s LEU 38 Ca 0.03 0.79 -0.13 0.00 -0.00 0.00 0.00 54.13 54.81 1sg5 s LEU 38 Cb -0.13 1.21 -0.07 0.00 -0.00 0.00 0.00 46.19 47.20 1sg5 s LEU 38 CO -0.19 -0.17 0.50 -1.58 -0.00 0.00 0.00 176.35 174.90 1sg5 s GLN 39 N 1.11 3.90 -0.03 1.48 -0.44 -1.24 0.01 119.66 124.44 1sg5 s GLN 39 Ca -0.07 0.38 0.01 0.00 -2.50 0.00 0.00 55.36 53.18 1sg5 s GLN 39 Cb -0.07 -2.96 0.02 0.00 -1.64 0.00 0.00 33.01 28.36 1sg5 s GLN 39 CO -0.09 0.51 -0.03 0.00 0.50 0.00 0.00 175.29 176.18 1sg5 s ALA 40 N -1.44 0.50 0.28 1.58 0.00 0.04 -4.92 121.76 117.80 1sg5 s ALA 40 Ca 0.36 0.03 -0.28 0.00 0.00 0.00 0.00 51.96 52.07 1sg5 s ALA 40 Cb -0.15 -0.35 -0.09 0.00 0.00 0.00 0.00 23.12 22.53 1sg5 s ALA 40 CO 0.19 -0.02 0.97 0.21 0.00 0.00 0.00 175.76 177.10 1sg5 s LYS 41 N 0.87 4.70 0.48 0.00 2.20 -1.26 -2.43 119.74 124.30 1sg5 s LYS 41 Ca -0.10 1.48 0.00 0.00 -0.36 0.00 0.00 55.97 56.98 1sg5 s LYS 41 Cb -0.13 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.12 1sg5 s LYS 41 CO -0.01 0.36 0.00 0.00 -0.36 0.00 0.00 175.35 175.35 1sg5 n ALA 42 N 1.04 -1.83 0.00 3.13 0.00 -1.14 -4.11 120.51 117.60 1sg5 n ALA 42 Ca -0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1sg5 n ALA 42 Cb 0.48 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.51 0.00 -3.61 0.00 3.41 -1.26 -3.33 113.62 107.32 1sg5 n SER 43 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 1sg5 n SER 43 Cb 0.16 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.06 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 0.44 0.20 4.04 -1.08 -0.23 -4.89 116.67 115.15 1sg5 s ASP 44 Ca 0.00 -1.26 0.09 0.00 -0.52 0.00 0.00 52.55 50.86 1sg5 s ASP 44 Cb 0.00 0.61 -0.04 0.00 -1.46 0.00 0.00 42.92 42.03 1sg5 s ASP 44 CO 0.00 -1.20 -0.18 -0.22 0.52 0.00 0.00 175.17 174.09 1sg5 s LEU 45 N -3.14 2.50 0.05 -1.34 0.20 -1.26 0.04 118.68 115.73 1sg5 s LEU 45 Ca 0.28 -0.94 0.03 0.00 0.69 0.00 0.00 54.13 54.19 1sg5 s LEU 45 Cb 0.00 -0.86 -0.03 0.00 -0.43 0.00 0.00 46.19 44.88 1sg5 s LEU 45 CO 0.15 -0.05 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.38 1sg5 s VAL 46 N -2.39 0.68 -0.21 1.68 1.01 0.55 -4.82 120.40 116.91 1sg5 s VAL 46 Ca 0.21 -1.22 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 1sg5 s VAL 46 Cb -0.04 -0.82 -0.00 0.00 0.00 0.00 0.00 36.38 35.52 1sg5 s VAL 46 CO 0.09 -0.40 -0.09 -0.94 0.00 0.00 0.00 175.10 173.76 1sg5 s SER 47 N -1.77 3.99 0.53 3.32 1.04 -1.26 -0.68 113.70 118.87 1sg5 s SER 47 Ca -0.06 -0.45 -0.19 0.00 0.48 0.00 0.00 55.95 55.73 1sg5 s SER 47 Cb -0.08 -1.67 -0.07 0.00 0.10 0.00 0.00 66.02 64.30 1sg5 s SER 47 CO 0.00 -0.01 1.06 -0.13 0.98 0.00 0.00 173.24 175.15 1sg5 s ARG 48 N 1.39 3.57 0.58 4.02 0.52 0.99 -4.90 118.95 125.12 1sg5 s ARG 48 Ca 0.05 1.37 0.29 0.00 -0.52 0.00 0.00 55.73 56.92 1sg5 s ARG 48 Cb -0.14 -2.06 1.51 0.00 0.52 0.00 0.00 34.95 34.79 1sg5 s ARG 48 CO -0.05 -0.62 1.95 0.87 0.02 0.00 0.00 175.30 177.47 1sg5 h LYS 49 N 1.18 0.00 0.00 3.54 1.79 -2.03 -1.85 116.57 119.20 1sg5 h LYS 49 Ca -0.49 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 57.65 1sg5 h LYS 49 Cb 1.23 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.82 1sg5 h LYS 49 CO 0.58 0.00 -2.26 0.09 -1.08 0.00 0.00 179.45 176.78 1sg5 n ASN 50 N -3.79 0.43 0.00 0.86 4.13 -1.26 -5.08 115.26 110.56 1sg5 n ASN 50 Ca 0.07 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.33 1sg5 n ASN 50 Cb 0.59 0.98 0.00 0.00 -1.54 0.00 0.00 39.78 39.80 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 -2.67 0.00 -3.69 2.41 0.24 -0.69 -5.08 118.33 108.84 1sg5 n VAL 51 Ca -0.30 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 61.90 1sg5 n VAL 51 Cb 1.09 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 33.35 1sg5 n VAL 51 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1sg5 s GLU 52 N 3.61 0.41 0.16 7.34 2.12 -1.26 -0.01 118.70 131.07 1sg5 s GLU 52 Ca 0.00 0.80 0.06 0.00 0.36 0.00 0.00 54.97 56.18 1sg5 s GLU 52 Cb 0.00 -0.00 -0.04 0.00 0.26 0.00 0.00 34.13 34.35 1sg5 s GLU 52 CO 0.00 -0.15 -0.12 1.52 -0.54 0.00 0.00 175.26 175.97 1sg5 s TYR 53 N 1.34 1.42 0.06 5.30 -0.85 0.15 -4.46 117.35 120.31 1sg5 s TYR 53 Ca -0.09 -0.66 -0.06 0.00 -0.52 0.00 0.00 57.07 55.74 1sg5 s TYR 53 Cb -0.08 -0.70 -0.05 0.00 0.38 0.00 0.00 41.96 41.51 1sg5 s TYR 53 CO -0.12 0.18 0.32 -1.17 -1.52 0.00 0.00 175.55 173.23 1sg5 s LEU 54 N -3.05 4.34 -0.18 -3.49 0.20 -1.04 -0.33 118.68 115.12 1sg5 s LEU 54 Ca 0.17 0.58 -0.01 0.00 0.69 0.00 0.00 54.13 55.55 1sg5 s LEU 54 Cb -0.00 -2.93 0.05 0.00 -0.43 0.00 0.00 46.19 42.88 1sg5 s LEU 54 CO 0.03 0.17 -0.01 0.68 -0.29 0.00 0.00 176.35 176.93 1sg5 s VAL 55 N -1.44 0.86 -0.05 1.68 -7.23 0.11 -1.89 120.40 112.44 1sg5 s VAL 55 Ca 0.33 -0.63 0.02 0.00 -1.81 0.00 0.00 61.98 59.89 1sg5 s VAL 55 Cb -0.13 -1.19 -0.03 0.00 0.56 0.00 0.00 36.38 35.59 1sg5 s VAL 55 CO 0.20 -0.05 -0.10 0.68 -0.31 0.00 0.00 175.10 175.52 1sg5 s VAL 56 N 1.72 3.43 -0.25 1.32 -7.23 -0.68 -1.07 120.40 117.65 1sg5 s VAL 56 Ca -0.01 -0.64 -0.21 0.00 -1.81 0.00 0.00 61.98 59.31 1sg5 s VAL 56 Cb -0.16 -2.40 -0.02 0.00 0.56 0.00 0.00 36.38 34.36 1sg5 s VAL 56 CO -0.07 0.55 0.67 -1.61 -0.31 0.00 0.00 175.10 174.33 1sg5 s GLU 57 N -0.90 4.12 -1.21 4.82 2.02 -1.21 -0.21 118.70 126.13 1sg5 s GLU 57 Ca 0.13 0.62 -0.19 0.00 0.02 0.00 0.00 54.97 55.55 1sg5 s GLU 57 Cb -0.11 -3.65 -0.02 0.00 0.10 0.00 0.00 34.13 30.45 1sg5 s GLU 57 CO 0.02 -0.44 1.93 0.00 0.02 0.00 0.00 175.26 176.80 1sg5 n ALA 58 N 5.78 3.53 -4.44 5.21 0.00 0.41 -4.36 120.51 126.63 1sg5 n ALA 58 Ca 0.01 -3.56 -0.40 0.00 0.00 0.00 0.00 53.44 49.49 1sg5 n ALA 58 Cb 0.49 -3.57 -0.07 0.00 0.00 0.00 0.00 19.45 16.30 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 9.20 -1.30 0.00 0.00 0.00 -1.26 -2.48 120.51 124.66 1sg5 n ALA 59 Ca 0.49 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1sg5 n ALA 59 Cb 0.44 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 17.29 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 -1.29 3.92 1.34 0.00 0.00 -1.26 -5.13 105.19 102.78 1sg5 n GLY 60 Ca 0.06 -0.61 -0.08 0.00 0.00 0.00 0.00 46.02 45.40 1sg5 n GLY 60 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1sg5 n GLU 61 N 0.00 0.52 -5.04 1.61 0.28 -1.04 -5.07 120.64 111.90 1sg5 n GLU 61 Ca 0.00 -0.98 -0.28 0.00 -0.16 0.00 0.00 57.16 55.74 1sg5 n GLU 61 Cb 0.00 -0.18 -0.16 0.00 1.43 0.00 0.00 31.44 32.52 1sg5 n GLU 61 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1sg5 s THR 62 N -0.70 1.71 0.09 3.84 2.01 -1.26 -0.45 115.64 120.88 1sg5 s THR 62 Ca 0.22 -0.89 0.05 0.00 0.31 0.00 0.00 61.69 61.38 1sg5 s THR 62 Cb -0.01 -1.45 -0.03 0.00 0.01 0.00 0.00 72.50 71.02 1sg5 s THR 62 CO 0.15 0.48 -0.13 -0.60 -0.69 0.00 0.00 174.62 173.83 1sg5 s ARG 63 N -0.19 0.88 -0.32 4.92 3.00 0.71 -4.83 118.95 123.13 1sg5 s ARG 63 Ca -0.00 -1.10 0.00 0.00 -1.00 0.00 0.00 55.73 53.63 1sg5 s ARG 63 Cb -0.11 -0.75 0.07 0.00 0.00 0.00 0.00 34.95 34.16 1sg5 s ARG 63 CO 0.02 0.15 0.02 -1.21 0.00 0.00 0.00 175.30 174.28 1sg5 s GLU 64 N -2.34 2.10 -0.05 5.12 2.02 -1.26 -1.68 118.70 122.61 1sg5 s GLU 64 Ca 0.03 -1.52 0.04 0.00 0.02 0.00 0.00 54.97 53.54 1sg5 s GLU 64 Cb -0.06 -3.19 -0.00 0.00 0.10 0.00 0.00 34.13 30.97 1sg5 s GLU 64 CO 0.02 -0.76 -0.17 -0.48 0.02 0.00 0.00 175.26 173.89 1sg5 s LEU 65 N 1.12 1.89 0.00 1.80 2.34 -0.79 -4.68 118.68 120.36 1sg5 s LEU 65 Ca -0.00 -0.35 0.00 0.00 0.06 0.00 0.00 54.13 53.84 1sg5 s LEU 65 Cb -0.20 -0.96 0.00 0.00 -0.56 0.00 0.00 46.19 44.47 1sg5 s LEU 65 CO -0.04 0.14 0.00 0.54 -1.06 0.00 0.00 176.35 175.93 1sg5 n ARG 66 N 3.23 0.00 0.09 1.48 3.00 -1.26 -2.51 116.66 120.68 1sg5 n ARG 66 Ca -0.19 0.00 0.12 0.00 -0.01 0.00 0.00 57.85 57.77 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 0.52 -0.65 0.55 -0.00 -1.26 -2.28 117.00 113.88 1sg5 n LEU 67 Ca 0.00 0.60 0.06 0.00 -0.00 0.00 0.00 56.01 56.67 1sg5 n LEU 67 Cb 0.00 -0.49 0.17 0.00 -0.00 0.00 0.00 43.42 43.10 1sg5 n LEU 67 CO 0.00 -0.36 0.64 -0.67 -0.00 0.00 0.00 177.39 177.00 1sg5 n ASP 68 N -2.05 3.08 -3.08 1.45 -0.08 -1.26 -4.98 116.55 109.63 1sg5 n ASP 68 Ca 0.04 -2.26 -0.04 0.00 -1.51 0.00 0.00 54.79 51.02 1sg5 n ASP 68 Cb 0.28 -0.29 0.00 0.00 2.34 0.00 0.00 41.12 43.45 1sg5 n ASP 68 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1sg5 n LYS 69 N 0.18 -1.58 -2.36 -0.67 5.02 -0.97 -4.89 118.16 112.89 1sg5 n LYS 69 Ca 0.13 1.58 -0.42 0.00 -2.02 0.00 0.00 58.31 57.58 1sg5 n LYS 69 Cb 0.53 -5.41 -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 -2.88 3.81 0.04 -0.18 1.10 -1.26 -4.71 121.20 117.12 1sg5 s ILE 70 Ca 0.06 1.33 -0.07 0.00 -0.51 0.00 0.00 60.65 61.46 1sg5 s ILE 70 Cb -0.02 -3.85 -0.02 0.00 0.15 0.00 0.00 42.46 38.73 1sg5 s ILE 70 CO 0.77 0.12 0.55 0.41 -2.11 0.00 0.00 174.94 174.68 1sg5 n THR 71 N 3.73 -0.16 -3.45 4.00 -1.04 -1.26 -2.60 114.28 113.50 1sg5 n THR 71 Ca 0.09 0.85 -0.11 0.00 -2.04 0.00 0.00 64.05 62.84 1sg5 n THR 71 Cb 0.45 -1.08 -0.02 0.00 -1.82 0.00 0.00 70.33 67.87 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 -4.22 -0.49 -0.05 8.00 1.04 -1.04 -1.71 113.70 115.22 1sg5 s SER 72 Ca -0.03 0.02 -0.01 0.00 0.48 0.00 0.00 55.95 56.41 1sg5 s SER 72 Cb 0.03 0.51 0.03 0.00 0.10 0.00 0.00 66.02 66.69 1sg5 s SER 72 CO 0.14 -0.83 0.01 0.72 0.98 0.00 0.00 173.24 174.27 1sg5 s PHE 73 N -3.45 0.48 0.15 5.02 -0.12 -0.46 -0.58 117.98 119.02 1sg5 s PHE 73 Ca 0.02 -0.05 0.06 0.00 -0.05 0.00 0.00 56.93 56.91 1sg5 s PHE 73 Cb -0.01 -0.64 -0.04 0.00 -0.63 0.00 0.00 43.02 41.70 1sg5 s PHE 73 CO -0.11 -0.24 0.07 0.45 -0.05 0.00 0.00 175.22 175.33 1sg5 s SER 74 N 1.69 5.21 -0.03 1.98 0.15 0.94 -1.62 113.70 122.02 1sg5 s SER 74 Ca 0.00 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.44 1sg5 s SER 74 Cb -0.13 -1.27 0.03 0.00 -1.71 0.00 0.00 66.02 62.94 1sg5 s SER 74 CO -0.03 0.10 0.01 -2.28 1.20 0.00 0.00 173.24 172.23 1sg5 s HIS 75 N -1.65 0.25 -0.34 3.44 5.04 -0.62 -1.77 115.29 119.65 1sg5 s HIS 75 Ca 0.29 0.03 -0.43 0.00 -1.54 0.00 0.00 55.06 53.41 1sg5 s HIS 75 Cb -0.10 -0.38 -0.18 0.00 0.04 0.00 0.00 32.58 31.96 1sg5 s HIS 75 CO 0.21 -0.12 1.60 -2.30 -2.34 0.00 0.00 174.74 171.78 1sg5 n PRO 76 N 4.17 0.50 -1.65 2.88 -0.02 -1.26 -0.18 135.00 139.45 1sg5 n PRO 76 Ca -0.26 0.18 -0.18 0.00 -2.02 0.00 0.00 63.50 61.22 1sg5 n PRO 76 Cb 0.50 -1.76 -0.07 0.00 -0.02 0.00 0.00 33.50 32.15 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 4.23 -1.28 0.01 -0.52 4.71 -1.26 -4.83 120.64 121.70 1sg5 n GLU 77 Ca 0.28 1.09 0.00 0.00 -0.01 0.00 0.00 57.16 58.52 1sg5 n GLU 77 Cb 0.04 -5.40 0.00 0.00 -1.01 0.00 0.00 31.44 25.07 1sg5 n GLU 77 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1sg5 n ILE 78 N -2.72 0.15 0.00 -3.67 2.08 0.75 -5.17 119.36 110.79 1sg5 n ILE 78 Ca -0.19 0.05 0.00 0.00 0.56 0.00 0.00 62.75 63.18 1sg5 n ILE 78 Cb 0.60 -1.01 0.00 0.00 -0.75 0.00 0.00 39.64 38.48 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 -0.34 3.22 7.39 0.00 -1.03 -4.98 105.19 112.82 1sg5 n GLY 79 Ca 0.00 -1.38 -0.31 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.89 2.01 -0.16 2.61 -1.32 -1.26 -1.59 115.64 114.04 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 -1.73 -0.01 0.00 -1.51 0.00 0.00 72.50 69.25 1sg5 s THR 80 CO 0.00 0.55 -0.11 -0.69 -2.21 0.00 0.00 174.62 172.16 1sg5 s VAL 81 N 0.28 3.02 -0.12 5.08 1.01 -0.64 -4.85 120.40 124.18 1sg5 s VAL 81 Ca -0.16 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 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 0.08 0.50 0.06 -0.69 0.00 0.00 0.00 175.10 175.04 1sg5 s VAL 82 N 0.80 4.79 0.00 2.92 1.01 -1.22 -1.35 120.40 127.35 1sg5 s VAL 82 Ca -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1sg5 s VAL 82 Cb -0.15 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.16 1sg5 s VAL 82 CO 0.01 0.58 0.00 0.55 0.00 0.00 0.00 175.10 176.24 1sg5 n VAL 83 N 2.36 0.00 -0.07 2.92 3.14 -0.70 -3.86 118.33 122.12 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 0.26 -1.94 -4.70 6.55 2.88 -1.23 -4.70 113.62 110.74 1sg5 n SER 84 Ca 0.00 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.10 1sg5 n SER 84 Cb 0.00 0.70 -0.02 0.00 -0.75 0.00 0.00 64.21 64.14 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 -0.33 2.24 -0.46 -1.46 2.13 -1.25 -4.98 120.64 116.54 1sg5 n GLU 85 Ca 0.00 0.80 0.00 0.00 0.66 0.00 0.00 57.16 58.62 1sg5 n GLU 85 Cb 0.00 -2.49 0.00 0.00 0.27 0.00 0.00 31.44 29.22 1sg5 n GLU 85 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59