#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvu n GLY 2 N 0.00 3.82 3.73 3.03 0.00 -1.26 -5.07 105.19 109.44 2kvu n GLY 2 Ca 0.00 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.55 2kvu n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kvu s HIS 3 N 1.36 3.42 -0.03 1.61 4.02 -1.26 -4.92 115.29 119.49 2kvu s HIS 3 Ca 0.00 1.39 0.12 0.00 1.02 0.00 0.00 55.06 57.59 2kvu s HIS 3 Cb 0.00 -3.44 -0.19 0.00 -1.02 0.00 0.00 32.58 27.92 2kvu s HIS 3 CO 0.00 -1.27 0.86 0.45 1.02 0.00 0.00 174.74 175.79 2kvu h HIS 4 N 5.47 0.00 -3.41 1.40 3.86 -2.01 -3.41 115.15 117.05 2kvu h HIS 4 Ca -0.44 0.00 -0.72 0.00 -1.16 0.00 0.00 60.37 58.05 2kvu h HIS 4 Cb 1.21 0.00 -0.25 0.00 1.06 0.00 0.00 27.41 29.43 2kvu h HIS 4 CO 0.63 0.89 -0.42 -1.01 0.86 0.00 0.00 177.93 178.88 2kvu s HIS 5 N -2.70 3.29 0.09 2.45 4.02 -1.26 -4.95 115.29 116.23 2kvu s HIS 5 Ca -0.03 -1.22 -0.13 0.00 1.02 0.00 0.00 55.06 54.70 2kvu s HIS 5 Cb 0.08 -2.97 -0.19 0.00 -1.02 0.00 0.00 32.58 28.49 2kvu s HIS 5 CO 0.82 -0.80 1.25 1.25 1.02 0.00 0.00 174.74 178.28 2kvu h HIS 6 N 8.54 1.06 -3.62 1.40 -0.00 -2.02 -3.42 115.15 117.10 2kvu h HIS 6 Ca -0.25 -0.52 -0.68 0.00 -0.00 0.00 0.00 60.37 58.92 2kvu h HIS 6 Cb 1.10 -0.15 -0.19 0.00 -0.00 0.00 0.00 27.41 28.17 2kvu h HIS 6 CO 0.62 1.35 -0.69 -1.01 -0.00 0.00 0.00 177.93 178.20 2kvu s HIS 7 N -3.56 2.94 -0.84 5.26 4.02 -1.26 -5.07 115.29 116.78 2kvu s HIS 7 Ca -0.10 -0.02 -0.04 0.00 1.02 0.00 0.00 55.06 55.92 2kvu s HIS 7 Cb 0.08 -1.74 0.21 0.00 -1.02 0.00 0.00 32.58 30.11 2kvu s HIS 7 CO 0.91 0.29 0.73 -1.58 1.02 0.00 0.00 174.74 176.11 2kvu s HIS 8 N -0.68 3.79 -0.30 1.40 5.65 -1.26 -4.96 115.29 118.93 2kvu s HIS 8 Ca 0.10 -2.80 -0.08 0.00 0.25 0.00 0.00 55.06 52.54 2kvu s HIS 8 Cb -0.11 -3.36 0.17 0.00 -1.18 0.00 0.00 32.58 28.10 2kvu s HIS 8 CO 0.02 -0.81 0.77 0.45 -0.65 0.00 0.00 174.74 174.51 2kvu s SER 9 N 0.48 -1.01 -0.15 9.88 0.15 -1.26 -5.15 113.70 116.63 2kvu s SER 9 Ca 0.24 0.88 -0.05 0.00 0.70 0.00 0.00 55.95 57.71 2kvu s SER 9 Cb -0.11 1.95 -0.04 0.00 -1.71 0.00 0.00 66.02 66.11 2kvu s SER 9 CO -0.09 -0.19 0.04 -1.38 1.20 0.00 0.00 173.24 172.82 2kvu s HIS 10 N 2.82 3.23 -0.11 3.44 0.00 -1.26 -5.09 115.29 118.32 2kvu s HIS 10 Ca 0.07 0.09 0.04 0.00 -3.00 0.00 0.00 55.06 52.25 2kvu s HIS 10 Cb -0.12 -1.98 0.00 0.00 -4.00 0.00 0.00 32.58 26.48 2kvu s HIS 10 CO -0.18 0.25 -0.23 1.41 -1.00 0.00 0.00 174.74 174.99 2kvu s MET 11 N -0.06 3.05 0.22 -0.38 1.75 -1.26 -5.10 119.30 117.51 2kvu s MET 11 Ca 0.05 -0.87 -0.30 0.00 -1.25 0.00 0.00 55.69 53.32 2kvu s MET 11 Cb -0.12 -2.33 -0.09 0.00 2.84 0.00 0.00 34.83 35.12 2kvu s MET 11 CO 0.01 0.14 1.40 -1.54 -0.65 0.00 0.00 175.02 174.39 2kvu s SER 12 N 0.44 6.74 -0.10 1.11 1.04 -1.26 -4.92 113.70 116.74 2kvu s SER 12 Ca -0.16 2.55 -0.29 0.00 0.48 0.00 0.00 55.95 58.53 2kvu s SER 12 Cb -0.17 -2.61 -0.06 0.00 0.10 0.00 0.00 66.02 63.27 2kvu s SER 12 CO 0.07 -0.65 1.95 0.42 0.98 0.00 0.00 173.24 176.01 2kvu s THR 13 N 0.21 3.20 0.63 2.02 -4.23 -1.26 -4.98 115.64 111.23 2kvu s THR 13 Ca 0.60 0.22 -0.05 0.00 -1.18 0.00 0.00 61.69 61.28 2kvu s THR 13 Cb -0.40 -3.19 0.04 0.00 1.34 0.00 0.00 72.50 70.29 2kvu s THR 13 CO 0.40 -0.07 0.93 -2.16 -0.54 0.00 0.00 174.62 173.17 2kvu s PRO 14 N 5.08 2.51 0.23 3.99 0.04 -1.26 -5.07 135.00 140.51 2kvu s PRO 14 Ca 0.88 -0.27 -0.26 0.00 0.04 0.00 0.00 61.00 61.38 2kvu s PRO 14 Cb -0.35 -2.27 -0.09 0.00 0.04 0.00 0.00 34.50 31.83 2kvu s PRO 14 CO 0.36 -0.95 0.86 -1.17 0.04 0.00 0.00 177.00 176.14 2kvu s LEU 15 N -5.06 4.53 0.00 -3.56 1.98 -1.26 -4.93 118.68 110.38 2kvu s LEU 15 Ca 0.57 1.75 0.00 0.00 -2.89 0.00 0.00 54.13 53.57 2kvu s LEU 15 Cb -0.11 -3.57 0.00 0.00 0.66 0.00 0.00 46.19 43.17 2kvu s LEU 15 CO 0.44 0.12 1.17 0.41 -1.89 0.00 0.00 176.35 176.60 2kvu n THR 16 N 1.26 1.17 -3.27 3.68 -1.04 -1.26 -4.30 114.28 110.53 2kvu n THR 16 Ca -0.03 -0.21 -0.22 0.00 -2.04 0.00 0.00 64.05 61.55 2kvu n THR 16 Cb 0.49 -1.15 -0.08 0.00 -1.82 0.00 0.00 70.33 67.77 2kvu n THR 16 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2kvu s GLY 17 N 1.54 0.67 -0.27 3.41 0.00 -1.26 -5.10 107.32 106.31 2kvu s GLY 17 Ca 0.00 -2.00 -0.20 0.00 0.00 0.00 0.00 44.72 42.52 2kvu s GLY 17 CO 0.00 2.45 0.60 0.54 0.00 0.00 0.00 173.10 176.69 2kvu s LYS 18 N 0.28 4.04 -0.21 2.90 1.02 -1.26 -5.00 119.74 121.50 2kvu s LYS 18 Ca 0.32 0.42 -0.29 0.00 0.02 0.00 0.00 55.97 56.44 2kvu s LYS 18 Cb 0.02 -3.67 -0.06 0.00 -0.52 0.00 0.00 37.83 33.60 2kvu s LYS 18 CO -0.16 -0.44 2.20 -0.35 -0.92 0.00 0.00 175.35 175.68 2kvu n PRO 19 N 5.71 1.94 -0.49 -1.68 -0.04 -1.26 -4.84 135.00 134.34 2kvu n PRO 19 Ca -0.02 0.55 -0.05 0.00 -0.04 0.00 0.00 63.50 63.94 2kvu n PRO 19 Cb 0.49 -3.15 0.12 0.00 -0.04 0.00 0.00 33.50 30.93 2kvu n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kvu n GLY 20 N 5.75 2.72 3.28 0.55 0.00 -1.26 -4.84 105.19 111.39 2kvu n GLY 20 Ca 0.30 -0.46 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 2kvu n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kvu s ALA 21 N -1.62 1.73 0.11 4.61 0.00 -1.26 -4.89 121.76 120.45 2kvu s ALA 21 Ca 0.25 -1.38 0.09 0.00 0.00 0.00 0.00 51.96 50.93 2kvu s ALA 21 Cb 0.20 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 2kvu s ALA 21 CO 0.06 0.17 -0.23 -0.51 0.00 0.00 0.00 175.76 175.25 2kvu s LEU 22 N -2.53 2.30 0.44 0.00 1.43 -1.26 -5.13 118.68 113.94 2kvu s LEU 22 Ca 0.12 -0.70 -0.22 0.00 -1.03 0.00 0.00 54.13 52.29 2kvu s LEU 22 Cb -0.05 -1.01 -0.09 0.00 0.03 0.00 0.00 46.19 45.07 2kvu s LEU 22 CO 0.05 0.11 1.05 -2.16 0.23 0.00 0.00 176.35 175.63 2kvu s PRO 23 N -1.94 3.98 0.00 1.29 0.04 -1.26 -4.94 135.00 132.17 2kvu s PRO 23 Ca 0.09 1.47 0.26 0.00 0.04 0.00 0.00 61.00 62.86 2kvu s PRO 23 Cb -0.10 -2.35 1.27 0.00 0.04 0.00 0.00 34.50 33.36 2kvu s PRO 23 CO 0.05 -0.29 1.86 0.00 0.04 0.00 0.00 177.00 178.66 2kvu n ALA 24 N -0.47 2.28 -1.01 8.56 0.00 -1.26 -3.47 120.51 125.14 2kvu n ALA 24 Ca 0.07 -0.12 -0.24 0.00 0.00 0.00 0.00 53.44 53.15 2kvu n ALA 24 Cb 0.51 -1.42 0.12 0.00 0.00 0.00 0.00 19.45 18.66 2kvu n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kvu n ASN 25 N -1.31 5.07 0.04 0.00 4.13 -1.26 -4.59 115.26 117.34 2kvu n ASN 25 Ca 0.11 -3.45 0.09 0.00 1.68 0.00 0.00 54.58 53.02 2kvu n ASN 25 Cb 0.22 -0.87 0.53 0.00 -1.54 0.00 0.00 39.78 38.12 2kvu n ASN 25 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 2kvu h LEU 26 N 1.45 0.26 0.00 3.41 3.38 -1.93 -0.27 115.31 121.60 2kvu h LEU 26 Ca 0.53 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.35 2kvu h LEU 26 Cb 1.92 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.58 2kvu h LEU 26 CO 1.10 0.18 -0.85 -0.78 0.09 0.00 0.00 178.44 178.18 2kvu h ASP 27 N 0.30 0.00 0.45 -0.43 3.58 -1.93 -3.09 116.42 115.31 2kvu h ASP 27 Ca 0.16 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.49 2kvu h ASP 27 Cb 0.26 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 2kvu h ASP 27 CO -0.03 0.67 -0.55 -0.78 -2.88 0.00 0.00 179.24 175.66 2kvu h ASP 28 N 0.00 0.12 -4.00 2.28 3.58 -1.55 -3.44 116.42 113.41 2kvu h ASP 28 Ca -0.05 -0.06 -0.53 0.00 0.42 0.00 0.00 57.03 56.81 2kvu h ASP 28 Cb 1.55 -0.03 0.10 0.00 1.72 0.00 0.00 39.33 42.67 2kvu h ASP 28 CO 0.08 0.65 0.58 -0.04 -2.88 0.00 0.00 179.24 177.63 2kvu s MET 29 N -3.80 3.60 0.87 0.28 -1.94 -0.24 -5.02 119.30 113.04 2kvu s MET 29 Ca -0.03 2.09 -0.10 0.00 -1.71 0.00 0.00 55.69 55.95 2kvu s MET 29 Cb 0.13 -2.48 0.18 0.00 2.01 0.00 0.00 34.83 34.67 2kvu s MET 29 CO 0.77 -0.78 1.20 0.15 -0.01 0.00 0.00 175.02 176.35 2kvu s LYS 30 N -2.62 1.00 0.45 2.03 1.02 -1.26 -4.88 119.74 115.48 2kvu s LYS 30 Ca 0.64 -0.75 0.16 0.00 0.02 0.00 0.00 55.97 56.04 2kvu s LYS 30 Cb -0.37 -2.05 1.03 0.00 -0.52 0.00 0.00 37.83 35.92 2kvu s LYS 30 CO 0.45 -2.06 1.98 0.28 -0.92 0.00 0.00 175.35 175.08 2kvu h VAL 31 N -1.21 1.07 0.62 3.17 2.07 -1.96 -2.27 116.25 117.75 2kvu h VAL 31 Ca -0.41 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 2kvu h VAL 31 Cb 1.24 1.38 0.01 0.00 -1.52 0.00 0.00 31.29 32.40 2kvu h VAL 31 CO 0.37 0.20 -0.30 0.00 0.02 0.00 0.00 177.57 177.86 2kvu h ALA 32 N 1.80 -0.84 -0.18 1.67 0.00 -1.99 -2.02 119.26 117.70 2kvu h ALA 32 Ca -0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2kvu h ALA 32 Cb 0.37 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2kvu h ALA 32 CO 0.03 -0.79 0.02 1.05 0.00 0.00 0.00 179.25 179.55 2kvu h GLU 33 N -1.19 0.26 -0.59 0.00 9.09 -1.93 0.00 114.58 120.23 2kvu h GLU 33 Ca -0.09 -0.03 -0.02 0.00 0.05 0.00 0.00 59.36 59.27 2kvu h GLU 33 Cb 0.66 -0.05 -0.03 0.00 -1.65 0.00 0.00 28.75 27.69 2kvu h GLU 33 CO 0.14 0.27 0.30 -0.07 0.05 0.00 0.00 179.01 179.70 2kvu h LEU 34 N 0.26 0.75 -0.86 3.06 3.38 -1.40 -0.13 115.31 120.37 2kvu h LEU 34 Ca 0.06 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 2kvu h LEU 34 Cb 0.15 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2kvu h LEU 34 CO 0.00 0.65 -0.29 0.11 0.09 0.00 0.00 178.44 179.01 2kvu h LYS 35 N 0.80 0.51 -0.27 1.13 1.57 -0.52 -2.30 116.57 117.48 2kvu h LYS 35 Ca 0.20 -0.21 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2kvu h LYS 35 Cb 0.09 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2kvu h LYS 35 CO -0.03 0.75 0.14 1.96 -0.57 0.00 0.00 179.45 181.70 2kvu h GLN 36 N 0.44 0.29 -0.18 3.15 1.08 -0.53 0.19 115.11 119.55 2kvu h GLN 36 Ca 0.06 -0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.26 2kvu h GLN 36 Cb 0.73 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.09 2kvu h GLN 36 CO 0.06 0.19 0.12 0.93 -0.95 0.00 0.00 178.83 179.18 2kvu h GLU 37 N 0.30 0.14 0.06 1.46 4.39 -0.76 -1.02 114.58 119.14 2kvu h GLU 37 Ca 0.11 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 2kvu h GLU 37 Cb 0.02 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2kvu h GLU 37 CO -0.07 0.09 -0.03 -0.07 -1.16 0.00 0.00 179.01 177.77 2kvu h LEU 38 N 0.14 -0.07 -1.63 1.33 3.38 -0.81 -3.30 115.31 114.36 2kvu h LEU 38 Ca 0.07 -0.43 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 2kvu h LEU 38 Cb 0.13 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2kvu h LEU 38 CO -0.01 0.61 -0.20 0.07 0.09 0.00 0.00 178.44 178.99 2kvu h LYS 39 N -0.97 0.00 0.00 1.13 2.10 -0.47 0.19 116.57 118.55 2kvu h LYS 39 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2kvu h LYS 39 Cb 0.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 2kvu h LYS 39 CO 0.01 0.20 0.00 1.28 -2.00 0.00 0.00 179.45 178.95 2kvu n LEU 40 N -4.13 0.08 -0.28 7.07 4.77 -0.40 -2.71 117.00 121.40 2kvu n LEU 40 Ca -0.02 0.51 0.05 0.00 -0.03 0.00 0.00 56.01 56.52 2kvu n LEU 40 Cb 0.27 -0.49 0.11 0.00 -2.33 0.00 0.00 43.42 40.98 2kvu n LEU 40 CO 0.35 -0.10 0.58 0.54 -1.33 0.00 0.00 177.39 177.43 2kvu n ARG 41 N -1.58 2.45 -3.14 3.23 1.74 -0.08 -4.97 116.66 114.30 2kvu n ARG 41 Ca 0.06 -2.14 -0.18 0.00 -0.77 0.00 0.00 57.85 54.82 2kvu n ARG 41 Cb 0.30 -1.33 0.05 0.00 -1.02 0.00 0.00 32.46 30.45 2kvu n ARG 41 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2kvu n SER 42 N -0.60 -5.34 -4.73 0.55 7.64 -0.87 -5.02 113.62 105.25 2kvu n SER 42 Ca 0.10 -0.34 -0.30 0.00 1.01 0.00 0.00 58.87 59.34 2kvu n SER 42 Cb 0.50 -4.05 -0.07 0.00 -1.01 0.00 0.00 64.21 59.57 2kvu n SER 42 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2kvu s LEU 43 N -5.71 3.62 0.13 -3.43 1.43 0.47 -5.00 118.68 110.19 2kvu s LEU 43 Ca 0.37 -0.10 -0.31 0.00 -1.03 0.00 0.00 54.13 53.05 2kvu s LEU 43 Cb -0.16 -2.33 -0.09 0.00 0.03 0.00 0.00 46.19 43.64 2kvu s LEU 43 CO 0.45 0.17 1.56 -2.84 0.23 0.00 0.00 176.35 175.92 2kvu s PRO 44 N -2.36 4.23 0.00 1.29 0.02 -1.26 -3.77 135.00 133.15 2kvu s PRO 44 Ca 0.27 2.31 0.18 0.00 0.02 0.00 0.00 61.00 63.79 2kvu s PRO 44 Cb -0.12 -3.28 0.52 0.00 0.02 0.00 0.00 34.50 31.64 2kvu s PRO 44 CO 0.20 -0.61 1.42 1.33 -0.33 0.00 0.00 177.00 179.01 2kvu n VAL 45 N 4.16 0.54 -3.02 3.83 0.24 -1.26 -4.90 118.33 117.91 2kvu n VAL 45 Ca 0.14 -0.62 -0.39 0.00 -2.04 0.00 0.00 64.34 61.43 2kvu n VAL 45 Cb 0.40 0.47 -0.06 0.00 -1.47 0.00 0.00 33.84 33.17 2kvu n VAL 45 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2kvu s SER 46 N -1.22 7.33 0.00 -1.34 0.01 -1.26 -4.89 113.70 112.33 2kvu s SER 46 Ca 0.35 1.59 0.00 0.00 1.31 0.00 0.00 55.95 59.20 2kvu s SER 46 Cb 0.19 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.94 2kvu s SER 46 CO 0.26 0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.72 2kvu n GLY 47 N 1.54 2.25 2.38 3.44 0.00 -1.26 -4.83 105.19 108.72 2kvu n GLY 47 Ca -0.06 -1.88 -0.15 0.00 0.00 0.00 0.00 46.02 43.93 2kvu n GLY 47 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kvu n THR 48 N -1.84 0.00 0.17 2.61 -2.24 -1.26 -4.81 114.28 106.90 2kvu n THR 48 Ca 0.00 -0.91 -0.15 0.00 -2.27 0.00 0.00 64.05 60.72 2kvu n THR 48 Cb 0.00 -1.18 -0.09 0.00 -2.10 0.00 0.00 70.33 66.96 2kvu n THR 48 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2kvu h LYS 49 N 0.00 -0.73 -0.71 -0.78 1.63 -2.00 -1.07 116.57 112.91 2kvu h LYS 49 Ca -0.21 0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.64 2kvu h LYS 49 Cb 0.75 0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 32.51 2kvu h LYS 49 CO 0.21 -0.49 0.44 1.15 -3.45 0.00 0.00 179.45 177.32 2kvu h THR 50 N -0.76 1.19 -0.54 1.00 2.02 -1.99 -2.48 112.91 111.36 2kvu h THR 50 Ca -0.03 -0.40 -0.05 0.00 0.77 0.00 0.00 66.41 66.70 2kvu h THR 50 Cb 0.71 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 2kvu h THR 50 CO -0.16 0.20 0.14 -0.33 0.37 0.00 0.00 175.52 175.74 2kvu h GLU 51 N 0.97 0.85 -0.49 6.66 5.08 -1.82 0.18 114.58 126.01 2kvu h GLU 51 Ca 0.26 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2kvu h GLU 51 Cb -0.06 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 2kvu h GLU 51 CO -0.05 0.80 0.23 -0.07 -1.00 0.00 0.00 179.01 178.92 2kvu h LEU 52 N 0.75 0.65 -0.07 1.33 3.38 -0.90 -0.29 115.31 120.16 2kvu h LEU 52 Ca 0.17 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2kvu h LEU 52 Cb 0.32 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2kvu h LEU 52 CO -0.00 0.59 0.05 0.40 0.09 0.00 0.00 178.44 179.57 2kvu h ILE 53 N 0.65 1.04 -0.65 1.22 2.04 -1.10 -2.55 117.51 118.17 2kvu h ILE 53 Ca 0.17 -0.09 -0.09 0.00 1.00 0.00 0.00 64.86 65.85 2kvu h ILE 53 Cb 0.12 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 2kvu h ILE 53 CO -0.02 0.03 0.06 -0.08 0.00 0.00 0.00 178.15 178.14 2kvu h GLU 54 N 0.08 1.10 -0.82 2.37 4.57 -0.44 -1.49 114.58 119.94 2kvu h GLU 54 Ca 0.03 -0.32 -0.01 0.00 -1.18 0.00 0.00 59.36 57.87 2kvu h GLU 54 Cb 0.01 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.45 2kvu h GLU 54 CO -0.01 1.04 0.46 -0.09 -1.18 0.00 0.00 179.01 179.24 2kvu h ARG 55 N 1.02 1.14 -0.33 1.92 2.43 -0.99 0.12 114.38 119.68 2kvu h ARG 55 Ca 0.19 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 2kvu h ARG 55 Cb 0.50 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 2kvu h ARG 55 CO 0.02 0.83 0.19 -0.07 -1.51 0.00 0.00 179.97 179.42 2kvu h LEU 56 N 1.14 0.30 -0.57 3.80 3.38 -1.03 0.02 115.31 122.35 2kvu h LEU 56 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2kvu h LEU 56 Cb 0.01 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2kvu h LEU 56 CO -0.05 0.22 0.37 0.03 0.09 0.00 0.00 178.44 179.10 2kvu h ARG 57 N 0.38 0.76 -0.19 1.13 3.08 -0.55 0.14 114.38 119.13 2kvu h ARG 57 Ca 0.13 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 2kvu h ARG 57 Cb 0.01 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 2kvu h ARG 57 CO -0.07 0.51 -0.24 0.00 -1.07 0.00 0.00 179.97 179.10 2kvu h ALA 58 N 1.20 1.24 -0.20 0.04 0.00 -0.54 0.14 119.26 121.14 2kvu h ALA 58 Ca 0.21 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 2kvu h ALA 58 Cb -0.08 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2kvu h ALA 58 CO -0.04 0.50 -0.33 -0.92 0.00 0.00 0.00 179.25 178.46 2kvu h TYR 59 N 0.32 0.72 -0.25 0.00 3.20 -0.39 -2.67 116.97 117.90 2kvu h TYR 59 Ca 0.05 -0.25 -0.13 0.00 3.14 0.00 0.00 58.73 61.54 2kvu h TYR 59 Cb 0.60 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 2kvu h TYR 59 CO 0.01 0.98 -0.39 0.37 -1.64 0.00 0.00 178.16 177.50 2kvu h GLN 60 N 0.26 0.58 -0.53 1.82 -0.00 -0.53 -3.10 115.11 113.61 2kvu h GLN 60 Ca 0.02 -0.29 -0.03 0.00 -0.00 0.00 0.00 58.65 58.35 2kvu h GLN 60 Cb 0.91 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.37 2kvu h GLN 60 CO 0.08 0.87 0.20 0.22 0.00 0.00 0.00 178.83 180.20 2kvu h ASP 61 N 0.48 0.75 1.07 -0.69 1.82 -0.71 -1.91 116.42 117.22 2kvu h ASP 61 Ca 0.04 -0.18 0.00 0.00 -0.39 0.00 0.00 57.03 56.50 2kvu h ASP 61 Cb 0.88 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.70 2kvu h ASP 61 CO 0.08 0.72 0.00 0.00 -1.61 0.00 0.00 179.24 178.43 2kvu n GLN 62 N -4.51 0.23 0.01 0.28 10.64 -1.01 -2.89 117.38 120.12 2kvu n GLN 62 Ca 0.02 0.33 -0.22 0.00 -1.83 0.00 0.00 57.00 55.30 2kvu n GLN 62 Cb 0.17 -1.84 -0.14 0.00 -0.86 0.00 0.00 30.24 27.57 2kvu n GLN 62 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 2kvu h ILE 63 N 0.00 0.96 -3.97 -0.39 2.04 -1.40 -3.47 117.51 111.28 2kvu h ILE 63 Ca 0.00 -2.39 -0.51 0.00 1.00 0.00 0.00 64.86 62.96 2kvu h ILE 63 Cb 0.53 2.66 0.06 0.00 -0.74 0.00 0.00 36.82 39.33 2kvu h ILE 63 CO 0.00 0.72 0.49 -0.44 0.00 0.00 0.00 178.15 178.92 2kvu s SER 64 N -7.05 6.37 -0.49 1.72 0.01 -0.75 -4.93 113.70 108.57 2kvu s SER 64 Ca -0.20 2.31 -0.27 0.00 1.31 0.00 0.00 55.95 59.10 2kvu s SER 64 Cb 0.05 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.64 2kvu s SER 64 CO 0.76 -0.78 1.93 -2.84 0.41 0.00 0.00 173.24 172.72 2kvu s PRO 65 N -2.50 2.79 0.09 12.44 0.02 -1.26 -4.93 135.00 141.65 2kvu s PRO 65 Ca 0.60 1.03 0.04 0.00 0.02 0.00 0.00 61.00 62.69 2kvu s PRO 65 Cb -0.29 -4.35 -0.03 0.00 0.02 0.00 0.00 34.50 29.84 2kvu s PRO 65 CO 0.36 -2.51 -0.10 0.14 -0.33 0.00 0.00 177.00 174.56 2kvu s VAL 66 N 8.80 0.91 -0.15 3.83 -7.23 -1.26 -5.10 120.40 120.20 2kvu s VAL 66 Ca 0.77 -1.57 -0.29 0.00 -1.81 0.00 0.00 61.98 59.08 2kvu s VAL 66 Cb -0.17 -1.28 -0.06 0.00 0.56 0.00 0.00 36.38 35.44 2kvu s VAL 66 CO 0.26 -0.52 2.05 -2.84 -0.31 0.00 0.00 175.10 173.74 2kvu s PRO 67 N -2.63 3.51 0.00 4.82 0.02 -1.26 -3.78 135.00 135.68 2kvu s PRO 67 Ca 0.04 2.12 0.00 0.00 0.02 0.00 0.00 61.00 63.18 2kvu s PRO 67 Cb -0.04 -4.26 0.00 0.00 0.02 0.00 0.00 34.50 30.22 2kvu s PRO 67 CO 0.00 -1.67 0.00 0.41 -0.33 0.00 0.00 177.00 175.41 2kvu n GLY 68 N 5.26 2.01 0.74 0.52 0.00 -1.26 -4.98 105.19 107.49 2kvu n GLY 68 Ca 0.25 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2kvu n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kvu n ALA 69 N 0.00 -1.22 -1.65 4.61 0.00 -1.25 -4.80 120.51 116.20 2kvu n ALA 69 Ca 0.00 0.23 -0.43 0.00 0.00 0.00 0.00 53.44 53.24 2kvu n ALA 69 Cb 0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 2kvu n ALA 69 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2kvu n PRO 70 N -1.94 2.70 -2.86 0.00 -0.02 -1.26 -4.91 135.00 126.71 2kvu n PRO 70 Ca 0.00 0.97 -0.43 0.00 -2.02 0.00 0.00 63.50 62.01 2kvu n PRO 70 Cb 0.21 -3.02 -0.03 0.00 -0.02 0.00 0.00 33.50 30.64 2kvu n PRO 70 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2kvu s LYS 71 N 4.71 3.43 -0.46 -0.52 2.20 -1.26 -4.52 119.74 123.33 2kvu s LYS 71 Ca 0.91 -1.37 -0.20 0.00 -0.36 0.00 0.00 55.97 54.95 2kvu s LYS 71 Cb -0.44 -4.74 0.03 0.00 -1.51 0.00 0.00 37.83 31.17 2kvu s LYS 71 CO 0.42 -1.84 0.62 0.00 -0.36 0.00 0.00 175.35 174.19 2kvu n ALA 72 N 7.24 -2.82 -2.16 3.13 0.00 -1.26 -4.84 120.51 119.79 2kvu n ALA 72 Ca 0.16 0.91 -0.38 0.00 0.00 0.00 0.00 53.44 54.13 2kvu n ALA 72 Cb 0.48 -3.29 -0.03 0.00 0.00 0.00 0.00 19.45 16.61 2kvu n ALA 72 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2kvu s PRO 73 N -2.63 2.77 -0.02 0.00 0.02 -1.26 -4.90 135.00 128.97 2kvu s PRO 73 Ca 0.27 0.27 -0.29 0.00 0.02 0.00 0.00 61.00 61.27 2kvu s PRO 73 Cb -0.06 -4.45 0.10 0.00 0.02 0.00 0.00 34.50 30.11 2kvu s PRO 73 CO 0.80 -2.67 0.86 0.00 -0.33 0.00 0.00 177.00 175.66 2kvu s ALA 74 N 8.36 -1.82 -2.81 -1.55 0.00 -1.26 -5.22 121.76 117.46 2kvu s ALA 74 Ca 0.60 1.11 0.26 0.00 0.00 0.00 0.00 51.96 53.92 2kvu s ALA 74 Cb -0.11 0.19 0.51 0.00 0.00 0.00 0.00 23.12 23.72 2kvu s ALA 74 CO 0.16 -0.59 1.44 0.00 0.00 0.00 0.00 175.76 176.77