#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 -1.91 3.38 3.03 0.00 -1.26 -4.88 105.19 103.56 2kvu n GLY 2 Ca 0.00 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 2kvu n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kvu n HIS 3 N 0.64 4.50 -2.94 1.61 -0.00 -1.26 -4.99 115.22 112.79 2kvu n HIS 3 Ca 0.00 -3.03 -0.40 0.00 -0.00 0.00 0.00 57.72 54.29 2kvu n HIS 3 Cb 0.00 -2.41 -0.06 0.00 -0.00 0.00 0.00 29.99 27.52 2kvu n HIS 3 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kvu s HIS 4 N 2.85 3.87 -0.27 4.41 -0.00 -1.26 -5.04 115.29 119.85 2kvu s HIS 4 Ca 0.48 1.64 -0.01 0.00 -0.00 0.00 0.00 55.06 57.16 2kvu s HIS 4 Cb 0.03 -2.82 0.16 0.00 -0.00 0.00 0.00 32.58 29.94 2kvu s HIS 4 CO 0.03 0.43 0.45 -1.58 -0.00 0.00 0.00 174.74 174.07 2kvu s HIS 5 N -0.79 -1.11 0.07 0.38 2.46 -1.26 -5.16 115.29 109.88 2kvu s HIS 5 Ca 0.38 1.05 0.01 0.00 0.47 0.00 0.00 55.06 56.98 2kvu s HIS 5 Cb -0.23 0.18 -0.03 0.00 -0.13 0.00 0.00 32.58 32.36 2kvu s HIS 5 CO 0.26 -0.81 -0.06 -1.01 -2.47 0.00 0.00 174.74 170.65 2kvu s HIS 6 N 2.65 0.74 0.03 3.88 4.02 -1.26 -5.06 115.29 120.28 2kvu s HIS 6 Ca 0.15 -0.78 -0.18 0.00 1.02 0.00 0.00 55.06 55.27 2kvu s HIS 6 Cb -0.15 -0.44 -0.24 0.00 -1.02 0.00 0.00 32.58 30.73 2kvu s HIS 6 CO -0.19 -0.16 1.12 0.45 1.02 0.00 0.00 174.74 176.98 2kvu h HIS 7 N 3.56 0.78 -0.70 1.40 -0.00 -2.06 -3.28 115.15 114.85 2kvu h HIS 7 Ca -0.35 -0.43 -0.39 0.00 -0.00 0.00 0.00 60.37 59.20 2kvu h HIS 7 Cb 1.18 -0.08 -0.14 0.00 -0.00 0.00 0.00 27.41 28.36 2kvu h HIS 7 CO 0.60 1.26 0.24 0.72 -0.00 0.00 0.00 177.93 180.76 2kvu n HIS 8 N -4.07 1.23 -2.43 2.45 -0.00 -1.26 -4.82 115.22 106.32 2kvu n HIS 8 Ca -0.11 -1.83 -0.39 0.00 -0.00 0.00 0.00 57.72 55.39 2kvu n HIS 8 Cb 0.77 -1.29 -0.02 0.00 -0.00 0.00 0.00 29.99 29.45 2kvu n HIS 8 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2kvu s SER 9 N 0.68 6.31 0.92 0.41 0.01 -1.24 -4.96 113.70 115.82 2kvu s SER 9 Ca 0.52 -2.17 -0.12 0.00 1.31 0.00 0.00 55.95 55.49 2kvu s SER 9 Cb 0.33 -2.58 0.14 0.00 0.21 0.00 0.00 66.02 64.12 2kvu s SER 9 CO -0.13 -1.73 1.10 -1.38 0.41 0.00 0.00 173.24 171.51 2kvu s HIS 10 N 6.20 2.34 -0.49 2.43 -0.00 -1.26 -4.96 115.29 119.54 2kvu s HIS 10 Ca 0.58 1.11 -0.27 0.00 -0.00 0.00 0.00 55.06 56.48 2kvu s HIS 10 Cb 0.02 -3.21 0.03 0.00 -0.00 0.00 0.00 32.58 29.42 2kvu s HIS 10 CO 0.08 -2.47 1.03 -1.64 -0.00 0.00 0.00 174.74 171.75 2kvu s MET 11 N -5.02 3.56 -0.93 -0.38 1.00 -1.26 -4.96 119.30 111.32 2kvu s MET 11 Ca 0.64 0.25 -0.24 0.00 0.00 0.00 0.00 55.69 56.33 2kvu s MET 11 Cb -0.17 -3.95 0.02 0.00 0.00 0.00 0.00 34.83 30.73 2kvu s MET 11 CO 0.56 -1.37 1.54 -1.12 0.00 0.00 0.00 175.02 174.64 2kvu s SER 12 N 2.49 6.11 -0.01 3.03 0.01 -1.26 -4.94 113.70 119.14 2kvu s SER 12 Ca 0.40 -1.04 0.01 0.00 1.31 0.00 0.00 55.95 56.63 2kvu s SER 12 Cb -0.09 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.58 2kvu s SER 12 CO 0.27 -1.85 -0.04 -0.89 0.41 0.00 0.00 173.24 171.14 2kvu s THR 13 N 6.32 0.37 0.16 1.44 2.01 -1.26 -5.12 115.64 119.56 2kvu s THR 13 Ca 0.50 -0.17 -0.33 0.00 0.31 0.00 0.00 61.69 61.99 2kvu s THR 13 Cb -0.03 -0.34 -0.15 0.00 0.01 0.00 0.00 72.50 71.99 2kvu s THR 13 CO -0.03 0.12 1.28 -2.65 -0.69 0.00 0.00 174.62 172.65 2kvu n PRO 14 N 3.15 1.39 -4.12 4.92 -0.02 -1.26 -4.97 135.00 134.09 2kvu n PRO 14 Ca -0.15 0.50 -0.34 0.00 -2.02 0.00 0.00 63.50 61.48 2kvu n PRO 14 Cb 0.57 -2.08 -0.14 0.00 -0.02 0.00 0.00 33.50 31.83 2kvu n PRO 14 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2kvu s LEU 15 N 0.54 2.91 0.11 2.45 2.96 -1.26 -5.10 118.68 121.28 2kvu s LEU 15 Ca 0.75 -0.35 0.08 0.00 -0.22 0.00 0.00 54.13 54.40 2kvu s LEU 15 Cb -0.82 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 2kvu s LEU 15 CO 0.49 0.04 -0.16 0.28 -1.32 0.00 0.00 176.35 175.69 2kvu s THR 16 N 1.13 3.01 -1.42 3.68 -1.32 -1.26 -5.01 115.64 114.45 2kvu s THR 16 Ca 0.02 -1.41 0.15 0.00 -1.21 0.00 0.00 61.69 59.24 2kvu s THR 16 Cb -0.15 -2.38 0.39 0.00 -1.51 0.00 0.00 72.50 68.85 2kvu s THR 16 CO -0.01 0.12 1.31 0.61 -2.21 0.00 0.00 174.62 174.44 2kvu n GLY 17 N 0.82 2.28 3.47 6.08 0.00 -1.26 -4.91 105.19 111.67 2kvu n GLY 17 Ca -0.15 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 44.95 2kvu n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kvu s LYS 18 N -1.05 3.31 0.39 1.61 -0.14 -1.26 -5.04 119.74 117.56 2kvu s LYS 18 Ca 0.31 -0.76 -0.28 0.00 -1.36 0.00 0.00 55.97 53.88 2kvu s LYS 18 Cb 0.16 -3.72 -0.11 0.00 -1.68 0.00 0.00 37.83 32.49 2kvu s LYS 18 CO 0.22 -0.49 1.48 -1.25 -0.76 0.00 0.00 175.35 174.55 2kvu s PRO 19 N 1.66 4.04 -0.22 -1.68 0.04 -1.26 -4.97 135.00 132.61 2kvu s PRO 19 Ca 0.05 2.56 -0.18 0.00 0.04 0.00 0.00 61.00 63.48 2kvu s PRO 19 Cb -0.18 -2.92 -0.14 0.00 0.04 0.00 0.00 34.50 31.30 2kvu s PRO 19 CO 0.08 -0.59 -0.04 0.41 0.04 0.00 0.00 177.00 176.91 2kvu n GLY 20 N 0.46 -0.73 3.92 0.56 0.00 -1.26 -5.00 105.19 103.15 2kvu n GLY 20 Ca 0.02 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.49 3.26 0.18 4.61 0.00 -1.26 -4.81 121.76 121.25 2kvu s ALA 21 Ca -0.30 -0.81 0.08 0.00 0.00 0.00 0.00 51.96 50.94 2kvu s ALA 21 Cb 0.08 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 2kvu s ALA 21 CO 0.50 -1.02 -0.07 -0.51 0.00 0.00 0.00 175.76 174.67 2kvu s LEU 22 N -5.10 3.07 0.39 0.00 1.43 -1.26 -5.11 118.68 112.11 2kvu s LEU 22 Ca 0.57 -0.53 -0.27 0.00 -1.03 0.00 0.00 54.13 52.86 2kvu s LEU 22 Cb -0.11 -1.74 -0.10 0.00 0.03 0.00 0.00 46.19 44.28 2kvu s LEU 22 CO 0.45 0.09 1.42 -2.16 0.23 0.00 0.00 176.35 176.38 2kvu s PRO 23 N -2.90 4.01 0.33 1.29 0.04 -1.26 -4.92 135.00 131.58 2kvu s PRO 23 Ca 0.26 2.42 0.02 0.00 0.04 0.00 0.00 61.00 63.74 2kvu s PRO 23 Cb -0.09 -2.87 0.57 0.00 0.04 0.00 0.00 34.50 32.16 2kvu s PRO 23 CO 0.16 -0.56 1.91 0.00 0.04 0.00 0.00 177.00 178.56 2kvu h ALA 24 N 2.82 1.40 -2.39 8.56 0.00 -2.08 -3.35 119.26 124.23 2kvu h ALA 24 Ca -0.50 -0.14 -0.76 0.00 0.00 0.00 0.00 54.91 53.51 2kvu h ALA 24 Cb 1.25 -0.20 -0.26 0.00 0.00 0.00 0.00 17.79 18.58 2kvu h ALA 24 CO 0.63 0.45 -0.20 -0.80 0.00 0.00 0.00 179.25 179.34 2kvu s ASN 25 N -6.61 6.17 -0.12 0.00 -0.87 -1.26 -4.83 114.94 107.42 2kvu s ASN 25 Ca -0.09 -2.04 0.17 0.00 -1.57 0.00 0.00 52.86 49.34 2kvu s ASN 25 Cb 0.16 -2.16 -0.24 0.00 -0.02 0.00 0.00 41.25 38.99 2kvu s ASN 25 CO 0.77 -0.75 0.31 0.18 -2.57 0.00 0.00 177.10 175.04 2kvu n LEU 26 N 4.86 0.26 0.26 0.60 4.77 -1.26 -4.04 117.00 122.45 2kvu n LEU 26 Ca -0.06 0.12 0.17 0.00 -0.03 0.00 0.00 56.01 56.20 2kvu n LEU 26 Cb 0.41 0.33 0.63 0.00 -2.33 0.00 0.00 43.42 42.46 2kvu n LEU 26 CO 0.47 0.38 0.97 0.44 -1.33 0.00 0.00 177.39 178.32 2kvu h ASP 27 N 0.00 0.00 1.21 -1.43 3.32 -1.95 -2.26 116.42 115.32 2kvu h ASP 27 Ca -0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.66 2kvu h ASP 27 Cb 1.98 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.53 2kvu h ASP 27 CO 0.04 0.00 -0.62 -0.78 -1.72 0.00 0.00 179.24 176.15 2kvu h ASP 28 N 0.00 0.00 -4.17 6.45 3.58 -1.97 -3.46 116.42 116.85 2kvu h ASP 28 Ca 0.00 -0.06 -0.49 0.00 0.42 0.00 0.00 57.03 56.90 2kvu h ASP 28 Cb 0.55 0.00 0.07 0.00 1.72 0.00 0.00 39.33 41.67 2kvu h ASP 28 CO 0.00 0.03 0.39 -0.04 -2.88 0.00 0.00 179.24 176.73 2kvu s MET 29 N -3.26 3.26 0.69 0.28 -1.94 -0.85 -5.04 119.30 112.44 2kvu s MET 29 Ca 0.04 1.32 -0.07 0.00 -1.71 0.00 0.00 55.69 55.27 2kvu s MET 29 Cb 0.10 -2.02 0.05 0.00 2.01 0.00 0.00 34.83 34.97 2kvu s MET 29 CO 0.73 -0.87 1.00 0.15 -0.01 0.00 0.00 175.02 176.03 2kvu s LYS 30 N -3.86 2.29 0.19 2.03 1.02 -1.26 -4.88 119.74 115.28 2kvu s LYS 30 Ca 0.66 -0.21 -0.11 0.00 0.02 0.00 0.00 55.97 56.33 2kvu s LYS 30 Cb -0.18 -2.18 0.12 0.00 -0.52 0.00 0.00 37.83 35.07 2kvu s LYS 30 CO 0.34 -1.17 1.79 0.28 -0.92 0.00 0.00 175.35 175.67 2kvu h VAL 31 N -0.55 1.22 -0.56 3.17 2.07 -1.96 0.37 116.25 120.01 2kvu h VAL 31 Ca -0.45 -0.61 -0.07 0.00 0.82 0.00 0.00 66.70 66.40 2kvu h VAL 31 Cb 1.31 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 2kvu h VAL 31 CO 0.60 0.26 0.07 0.00 0.02 0.00 0.00 177.57 178.53 2kvu h ALA 32 N 1.16 1.08 -0.49 1.67 0.00 -1.98 -1.78 119.26 118.91 2kvu h ALA 32 Ca 0.24 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2kvu h ALA 32 Cb 0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2kvu h ALA 32 CO -0.03 0.60 -0.11 0.93 0.00 0.00 0.00 179.25 180.64 2kvu h GLU 33 N 0.85 0.91 -0.55 0.00 4.39 -1.73 -0.38 114.58 118.07 2kvu h GLU 33 Ca 0.17 -0.32 -0.04 0.00 0.34 0.00 0.00 59.36 59.52 2kvu h GLU 33 Cb 0.40 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 2kvu h GLU 33 CO 0.01 0.97 0.20 -0.07 -1.16 0.00 0.00 179.01 178.96 2kvu h LEU 34 N 0.81 0.78 -1.53 1.33 3.38 -0.70 -2.40 115.31 116.99 2kvu h LEU 34 Ca 0.13 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 2kvu h LEU 34 Cb 0.63 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2kvu h LEU 34 CO 0.04 0.75 -0.22 0.11 0.09 0.00 0.00 178.44 179.22 2kvu h LYS 35 N 0.76 0.00 0.05 1.13 1.57 -0.94 -1.14 116.57 118.00 2kvu h LYS 35 Ca 0.18 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2kvu h LYS 35 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2kvu h LYS 35 CO -0.01 0.22 -0.02 1.96 -0.57 0.00 0.00 179.45 181.03 2kvu h GLN 36 N 0.00 -0.06 -0.57 3.15 1.08 -0.57 0.38 115.11 118.52 2kvu h GLN 36 Ca -0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2kvu h GLN 36 Cb 0.53 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.95 2kvu h GLN 36 CO 0.03 -0.01 0.35 0.93 -0.95 0.00 0.00 178.83 179.17 2kvu h GLU 37 N -0.10 0.77 -0.15 1.46 4.39 -1.19 -2.35 114.58 117.42 2kvu h GLU 37 Ca -0.01 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.64 2kvu h GLU 37 Cb 0.08 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2kvu h GLU 37 CO 0.01 0.55 0.05 -0.07 -1.16 0.00 0.00 179.01 178.39 2kvu h LEU 38 N 0.77 0.06 -1.25 1.33 3.38 -0.96 0.23 115.31 118.87 2kvu h LEU 38 Ca 0.21 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 2kvu h LEU 38 Cb -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2kvu h LEU 38 CO -0.04 0.06 -0.28 0.07 0.09 0.00 0.00 178.44 178.34 2kvu h LYS 39 N 0.13 0.00 0.11 1.13 2.10 -0.84 0.30 116.57 119.50 2kvu h LYS 39 Ca 0.06 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.39 2kvu h LYS 39 Cb 0.03 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.35 2kvu h LYS 39 CO -0.06 0.28 -1.70 -0.07 -2.00 0.00 0.00 179.45 175.90 2kvu h LEU 40 N 0.00 0.36 -2.81 7.07 3.38 -0.98 -3.36 115.31 118.98 2kvu h LEU 40 Ca -0.00 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.37 2kvu h LEU 40 Cb 0.70 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2kvu h LEU 40 CO 0.04 1.51 0.00 0.54 0.09 0.00 0.00 178.44 180.62 2kvu n ARG 41 N -3.41 3.17 -2.67 1.13 1.74 0.77 -4.96 116.66 112.43 2kvu n ARG 41 Ca -0.21 -2.65 -0.02 0.00 -0.77 0.00 0.00 57.85 54.20 2kvu n ARG 41 Cb 1.05 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 30.77 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 1.31 -6.57 -3.81 0.55 7.64 -0.78 -5.01 113.62 106.95 2kvu n SER 42 Ca 0.24 0.07 -0.12 0.00 1.01 0.00 0.00 58.87 60.07 2kvu n SER 42 Cb 0.74 -4.39 -0.11 0.00 -1.01 0.00 0.00 64.21 59.44 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 -3.22 1.22 0.30 -3.43 1.43 0.99 -5.02 118.68 110.95 2kvu s LEU 43 Ca 0.05 0.25 -0.29 0.00 -1.03 0.00 0.00 54.13 53.11 2kvu s LEU 43 Cb -0.01 0.79 -0.11 0.00 0.03 0.00 0.00 46.19 46.89 2kvu s LEU 43 CO 0.59 -0.19 1.47 -2.84 0.23 0.00 0.00 176.35 175.61 2kvu s PRO 44 N -0.40 4.21 0.00 1.29 0.02 -1.26 -4.18 135.00 134.68 2kvu s PRO 44 Ca -0.05 2.42 0.21 0.00 0.02 0.00 0.00 61.00 63.60 2kvu s PRO 44 Cb -0.03 -3.05 0.56 0.00 0.02 0.00 0.00 34.50 32.00 2kvu s PRO 44 CO 0.01 -0.46 1.46 1.33 -0.33 0.00 0.00 177.00 179.00 2kvu n VAL 45 N 1.61 0.41 -2.78 3.83 0.24 -1.26 -4.89 118.33 115.49 2kvu n VAL 45 Ca 0.05 -0.56 -0.41 0.00 -2.04 0.00 0.00 64.34 61.37 2kvu n VAL 45 Cb 0.39 0.62 -0.04 0.00 -1.47 0.00 0.00 33.84 33.34 2kvu n VAL 45 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2kvu s SER 46 N -1.44 7.37 0.00 -1.34 0.15 -1.26 -4.92 113.70 112.26 2kvu s SER 46 Ca 0.35 1.65 0.00 0.00 0.70 0.00 0.00 55.95 58.65 2kvu s SER 46 Cb 0.20 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 2kvu s SER 46 CO 0.28 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.19 2kvu n GLY 47 N 2.60 3.89 3.86 9.45 0.00 -1.26 -4.85 105.19 118.88 2kvu n GLY 47 Ca 0.03 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.06 2kvu n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kvu s THR 48 N -2.33 2.00 0.15 2.61 -4.23 -1.26 -4.70 115.64 107.87 2kvu s THR 48 Ca 0.00 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.24 2kvu s THR 48 Cb 0.00 -2.91 -0.01 0.00 1.34 0.00 0.00 72.50 70.93 2kvu s THR 48 CO 0.00 0.00 1.58 0.50 -0.54 0.00 0.00 174.62 176.16 2kvu h LYS 49 N -1.25 -0.35 -0.29 3.99 3.64 -1.99 0.23 116.57 120.56 2kvu h LYS 49 Ca -0.48 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.89 2kvu h LYS 49 Cb 1.33 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 33.21 2kvu h LYS 49 CO 0.63 -0.23 0.01 1.15 -2.27 0.00 0.00 179.45 178.74 2kvu h THR 50 N -0.37 1.17 -0.40 1.00 2.02 -1.99 -0.53 112.91 113.82 2kvu h THR 50 Ca 0.12 -0.66 -0.15 0.00 0.77 0.00 0.00 66.41 66.49 2kvu h THR 50 Cb 0.59 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 2kvu h THR 50 CO -0.51 0.23 -0.35 -0.33 0.37 0.00 0.00 175.52 174.94 2kvu h GLU 51 N 0.42 0.92 -0.56 6.66 5.08 -1.52 0.42 114.58 125.99 2kvu h GLU 51 Ca 0.09 -0.46 -0.04 0.00 -1.00 0.00 0.00 59.36 57.96 2kvu h GLU 51 Cb 0.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2kvu h GLU 51 CO 0.01 1.11 0.20 -0.07 -1.00 0.00 0.00 179.01 179.25 2kvu h LEU 52 N 0.76 0.80 -0.15 1.33 3.38 0.02 0.27 115.31 121.72 2kvu h LEU 52 Ca 0.07 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.87 2kvu h LEU 52 Cb 0.93 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 2kvu h LEU 52 CO 0.09 0.78 0.04 0.40 0.09 0.00 0.00 178.44 179.84 2kvu h ILE 53 N 0.78 0.95 -0.57 1.22 2.04 -0.91 -1.04 117.51 119.99 2kvu h ILE 53 Ca 0.18 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.96 2kvu h ILE 53 Cb 0.25 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 2kvu h ILE 53 CO -0.01 0.02 0.17 -0.33 0.00 0.00 0.00 178.15 178.00 2kvu h GLU 54 N 0.11 0.86 -0.77 2.37 4.39 -0.61 0.81 114.58 121.73 2kvu h GLU 54 Ca 0.07 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 2kvu h GLU 54 Cb 0.05 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.53 2kvu h GLU 54 CO -0.08 0.75 0.37 -0.09 -1.16 0.00 0.00 179.01 178.80 2kvu h ARG 55 N 0.83 1.11 -0.16 2.33 2.43 -0.11 0.26 114.38 121.07 2kvu h ARG 55 Ca 0.19 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2kvu h ARG 55 Cb 0.26 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2kvu h ARG 55 CO -0.01 0.87 0.05 -0.07 -1.51 0.00 0.00 179.97 179.30 2kvu h LEU 56 N 1.09 0.24 -0.69 3.80 3.38 -0.60 -0.88 115.31 121.65 2kvu h LEU 56 Ca 0.26 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 58.02 2kvu h LEU 56 Cb 0.13 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2kvu h LEU 56 CO -0.03 0.40 0.45 0.03 0.09 0.00 0.00 178.44 179.38 2kvu h ARG 57 N 0.08 0.91 -0.42 1.13 3.08 -0.39 -0.63 114.38 118.15 2kvu h ARG 57 Ca 0.05 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 2kvu h ARG 57 Cb 0.24 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2kvu h ARG 57 CO -0.00 0.61 -0.08 0.00 -1.07 0.00 0.00 179.97 179.43 2kvu h ALA 58 N 1.25 1.08 -0.84 0.04 0.00 -0.46 1.00 119.26 121.32 2kvu h ALA 58 Ca 0.25 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2kvu h ALA 58 Cb -0.10 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 2kvu h ALA 58 CO -0.05 0.57 0.41 -0.92 0.00 0.00 0.00 179.25 179.26 2kvu h TYR 59 N 0.67 1.21 0.00 0.00 3.20 -0.13 -2.31 116.97 119.59 2kvu h TYR 59 Ca 0.12 -0.06 -0.14 0.00 3.14 0.00 0.00 58.73 61.79 2kvu h TYR 59 Cb 0.53 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 2kvu h TYR 59 CO 0.03 0.87 -0.77 0.37 -1.64 0.00 0.00 178.16 177.01 2kvu h GLN 60 N 1.20 0.00 -0.36 1.82 -0.00 -0.89 -3.28 115.11 113.60 2kvu h GLN 60 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.94 2kvu h GLN 60 Cb 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.57 2kvu h GLN 60 CO -0.04 0.61 0.23 0.22 0.00 0.00 0.00 178.83 179.85 2kvu h ASP 61 N 0.00 0.43 0.54 -0.69 1.82 -0.29 -0.99 116.42 117.23 2kvu h ASP 61 Ca -0.03 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.58 2kvu h ASP 61 Cb 1.53 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 41.43 2kvu h ASP 61 CO 0.08 0.32 0.00 0.00 -1.61 0.00 0.00 179.24 178.03 2kvu n GLN 62 N -4.82 0.06 0.07 0.28 10.64 -0.92 -2.30 117.38 120.39 2kvu n GLN 62 Ca -0.00 0.18 -0.22 0.00 -1.83 0.00 0.00 57.00 55.13 2kvu n GLN 62 Cb 0.03 -1.50 -0.15 0.00 -0.86 0.00 0.00 30.24 27.76 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 0.97 -3.18 -0.39 1.08 -1.27 -3.47 117.51 111.25 2kvu h ILE 63 Ca 0.00 -2.56 -0.64 0.00 -0.39 0.00 0.00 64.86 61.27 2kvu h ILE 63 Cb 0.27 2.77 -0.14 0.00 -3.07 0.00 0.00 36.82 36.64 2kvu h ILE 63 CO 0.00 0.85 -0.57 -0.44 -0.69 0.00 0.00 178.15 177.30 2kvu s SER 64 N -7.26 5.62 0.41 1.72 0.01 -0.70 -5.08 113.70 108.42 2kvu s SER 64 Ca -0.15 0.16 -0.25 0.00 1.31 0.00 0.00 55.95 57.02 2kvu s SER 64 Cb 0.06 -1.84 -0.08 0.00 0.21 0.00 0.00 66.02 64.36 2kvu s SER 64 CO 0.86 0.27 1.21 -2.84 0.41 0.00 0.00 173.24 173.15 2kvu s PRO 65 N -0.23 3.96 0.80 12.44 0.02 -1.26 -4.85 135.00 145.89 2kvu s PRO 65 Ca 0.08 1.92 -0.11 0.00 0.02 0.00 0.00 61.00 62.91 2kvu s PRO 65 Cb -0.12 -2.65 0.08 0.00 0.02 0.00 0.00 34.50 31.83 2kvu s PRO 65 CO 0.01 -0.42 1.12 0.14 -0.33 0.00 0.00 177.00 177.52 2kvu s VAL 66 N -1.39 2.85 0.61 3.83 -7.23 -1.26 -4.87 120.40 112.95 2kvu s VAL 66 Ca 0.58 0.30 0.31 0.00 -1.81 0.00 0.00 61.98 61.36 2kvu s VAL 66 Cb -0.33 -2.64 0.36 0.00 0.56 0.00 0.00 36.38 34.34 2kvu s VAL 66 CO 0.41 -0.34 2.12 1.55 -0.31 0.00 0.00 175.10 178.52 2kvu h PRO 67 N -1.21 0.00 -0.02 4.82 0.13 -1.99 0.17 132.00 133.90 2kvu h PRO 67 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2kvu h PRO 67 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2kvu h PRO 67 CO 0.48 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.66 2kvu n GLY 68 N -1.34 -0.36 3.60 1.56 0.00 -1.26 -4.86 105.19 102.54 2kvu n GLY 68 Ca 0.00 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.43 2kvu n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kvu s ALA 69 N -1.99 3.04 -0.21 4.61 0.00 0.59 -5.06 121.76 122.74 2kvu s ALA 69 Ca 0.41 -1.60 -0.35 0.00 0.00 0.00 0.00 51.96 50.42 2kvu s ALA 69 Cb 0.21 -0.71 -0.12 0.00 0.00 0.00 0.00 23.12 22.50 2kvu s ALA 69 CO 0.34 0.35 1.98 -2.30 0.00 0.00 0.00 175.76 176.13 2kvu n PRO 70 N -0.49 1.66 0.00 0.00 -0.02 -1.26 -4.75 135.00 130.14 2kvu n PRO 70 Ca -0.08 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 2kvu n PRO 70 Cb 0.58 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 2kvu n PRO 70 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2kvu n LYS 71 N 7.08 0.00 -3.27 -0.52 4.81 -1.26 -4.79 118.16 120.21 2kvu n LYS 71 Ca 0.29 0.45 -0.22 0.00 -0.87 0.00 0.00 58.31 57.97 2kvu n LYS 71 Cb 0.26 -1.07 -0.08 0.00 0.02 0.00 0.00 35.03 34.16 2kvu n LYS 71 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kvu s ALA 72 N -3.05 0.56 -1.63 3.14 0.00 -1.26 -4.92 121.76 114.61 2kvu s ALA 72 Ca 0.00 -1.93 0.07 0.00 0.00 0.00 0.00 51.96 50.10 2kvu s ALA 72 Cb 0.00 -1.84 0.26 0.00 0.00 0.00 0.00 23.12 21.54 2kvu s ALA 72 CO 0.00 -2.04 1.13 -0.35 0.00 0.00 0.00 175.76 174.50 2kvu n PRO 73 N 3.00 1.87 -2.81 0.00 -0.05 -1.26 -4.82 135.00 130.93 2kvu n PRO 73 Ca 0.26 -1.03 -0.43 0.00 -0.05 0.00 0.00 63.50 62.24 2kvu n PRO 73 Cb 0.49 -1.38 -0.04 0.00 -0.05 0.00 0.00 33.50 32.52 2kvu n PRO 73 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2kvu s ALA 74 N -1.64 3.17 0.00 0.55 0.00 -1.26 -5.25 121.76 117.32 2kvu s ALA 74 Ca 0.19 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.06 2kvu s ALA 74 Cb 0.11 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2kvu s ALA 74 CO 0.10 -2.32 0.00 0.00 0.00 0.00 0.00 175.76 173.54