#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 -0.06 3.51 3.03 0.00 -1.26 -5.16 105.19 105.26 2kvu n GLY 2 Ca 0.00 -1.35 -0.28 0.00 0.00 0.00 0.00 46.02 44.39 2kvu n GLY 2 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2kvu n HIS 3 N 9.00 0.45 -3.49 1.61 -0.00 -1.26 -5.15 115.22 116.38 2kvu n HIS 3 Ca 0.00 -2.64 -0.25 0.00 -0.00 0.00 0.00 57.72 54.83 2kvu n HIS 3 Cb 0.00 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.99 29.87 2kvu n HIS 3 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kvu s HIS 4 N -3.05 3.49 -0.02 -1.40 4.02 -1.26 -5.06 115.29 112.02 2kvu s HIS 4 Ca 0.15 0.34 -0.00 0.00 1.02 0.00 0.00 55.06 56.57 2kvu s HIS 4 Cb 0.01 -1.88 -0.00 0.00 -1.02 0.00 0.00 32.58 29.69 2kvu s HIS 4 CO 0.11 0.20 -0.01 0.45 1.02 0.00 0.00 174.74 176.51 2kvu h HIS 5 N 1.09 0.00 -5.95 1.40 -0.00 -2.07 -3.48 115.15 106.15 2kvu h HIS 5 Ca -0.49 0.00 -0.41 0.00 -0.00 0.00 0.00 60.37 59.47 2kvu h HIS 5 Cb 1.21 0.00 0.10 0.00 -0.00 0.00 0.00 27.41 28.72 2kvu h HIS 5 CO 0.52 0.00 -0.72 1.58 -0.00 0.00 0.00 177.93 179.31 2kvu n HIS 6 N -2.43 -2.62 -0.69 2.45 -0.00 -1.26 -4.90 115.22 105.77 2kvu n HIS 6 Ca -0.00 0.97 0.07 0.00 -0.00 0.00 0.00 57.72 58.76 2kvu n HIS 6 Cb 0.01 -4.77 0.13 0.00 -0.00 0.00 0.00 29.99 25.36 2kvu n HIS 6 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kvu n HIS 7 N -4.79 0.23 -2.49 1.57 -0.00 -1.26 -4.94 115.22 103.54 2kvu n HIS 7 Ca -0.04 -0.80 -0.41 0.00 -0.00 0.00 0.00 57.72 56.48 2kvu n HIS 7 Cb 0.57 -0.14 -0.03 0.00 -0.00 0.00 0.00 29.99 30.39 2kvu n HIS 7 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kvu s HIS 8 N -2.20 2.28 0.13 4.41 5.65 -1.26 -4.97 115.29 119.33 2kvu s HIS 8 Ca 0.25 0.16 -0.31 0.00 0.25 0.00 0.00 55.06 55.41 2kvu s HIS 8 Cb 0.20 -4.53 -0.08 0.00 -1.18 0.00 0.00 32.58 26.99 2kvu s HIS 8 CO 0.05 -2.01 1.43 0.45 -0.65 0.00 0.00 174.74 174.00 2kvu s SER 9 N 4.10 6.77 -0.00 9.88 0.15 -1.26 -4.88 113.70 128.46 2kvu s SER 9 Ca 0.41 2.40 0.06 0.00 0.70 0.00 0.00 55.95 59.53 2kvu s SER 9 Cb -0.09 -2.59 0.10 0.00 -1.71 0.00 0.00 66.02 61.74 2kvu s SER 9 CO 0.18 -0.69 1.04 0.00 1.20 0.00 0.00 173.24 174.98 2kvu n HIS 10 N 3.84 0.00 -1.09 3.44 -0.00 -1.26 -5.12 115.22 115.03 2kvu n HIS 10 Ca 0.12 -0.14 0.00 0.00 -0.00 0.00 0.00 57.72 57.70 2kvu n HIS 10 Cb 0.41 -0.08 0.00 0.00 -0.00 0.00 0.00 29.99 30.33 2kvu n HIS 10 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kvu n MET 11 N 0.08 -3.11 -4.16 -1.40 -0.00 -1.26 -5.09 117.12 102.18 2kvu n MET 11 Ca 0.02 2.29 -0.10 0.00 -0.00 0.00 0.00 57.70 59.91 2kvu n MET 11 Cb 0.80 -2.56 -0.10 0.00 -0.00 0.00 0.00 33.22 31.36 2kvu n MET 11 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2kvu s SER 12 N -2.52 1.06 0.45 3.17 0.01 -1.26 -5.16 113.70 109.46 2kvu s SER 12 Ca 0.00 -1.00 -0.14 0.00 1.31 0.00 0.00 55.95 56.12 2kvu s SER 12 Cb 0.00 0.11 -0.07 0.00 0.21 0.00 0.00 66.02 66.26 2kvu s SER 12 CO 0.00 -0.48 0.87 0.42 0.41 0.00 0.00 173.24 174.46 2kvu s THR 13 N -3.65 4.66 -0.00 1.44 -4.23 -1.26 -5.00 115.64 107.59 2kvu s THR 13 Ca 0.11 0.92 -0.30 0.00 -1.18 0.00 0.00 61.69 61.25 2kvu s THR 13 Cb 0.06 -3.72 -0.07 0.00 1.34 0.00 0.00 72.50 70.11 2kvu s THR 13 CO -0.05 -0.58 1.76 -2.16 -0.54 0.00 0.00 174.62 173.05 2kvu s PRO 14 N -3.89 4.17 -0.57 3.99 0.04 -1.26 -4.96 135.00 132.52 2kvu s PRO 14 Ca 0.55 2.36 -0.18 0.00 0.04 0.00 0.00 61.00 63.77 2kvu s PRO 14 Cb -0.10 -3.99 0.12 0.00 0.04 0.00 0.00 34.50 30.57 2kvu s PRO 14 CO 0.30 -0.87 0.62 -1.17 0.04 0.00 0.00 177.00 175.92 2kvu s LEU 15 N 3.97 5.74 0.22 -3.56 2.96 -1.26 -4.89 118.68 121.85 2kvu s LEU 15 Ca 0.79 -1.59 0.04 0.00 -0.22 0.00 0.00 54.13 53.14 2kvu s LEU 15 Cb -0.37 -2.26 0.18 0.00 0.50 0.00 0.00 46.19 44.23 2kvu s LEU 15 CO 0.34 -1.00 1.51 0.74 -1.32 0.00 0.00 176.35 176.61 2kvu h THR 16 N 5.91 1.42 0.00 3.68 2.02 -2.07 -3.49 112.91 120.39 2kvu h THR 16 Ca -0.29 -2.18 0.00 0.00 0.77 0.00 0.00 66.41 64.70 2kvu h THR 16 Cb 1.09 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 69.65 2kvu h THR 16 CO 1.07 0.64 0.00 0.61 0.37 0.00 0.00 175.52 178.21 2kvu n GLY 17 N 0.45 -1.48 3.42 2.16 0.00 -1.26 -5.15 105.19 103.33 2kvu n GLY 17 Ca -0.03 0.61 -0.15 0.00 0.00 0.00 0.00 46.02 46.45 2kvu n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kvu s LYS 18 N 0.00 0.82 -0.55 1.61 -2.85 -1.26 -5.12 119.74 112.39 2kvu s LYS 18 Ca 0.00 0.28 -0.23 0.00 -1.00 0.00 0.00 55.97 55.02 2kvu s LYS 18 Cb 0.00 0.39 0.05 0.00 -2.06 0.00 0.00 37.83 36.20 2kvu s LYS 18 CO 0.00 -0.21 0.87 -1.25 0.10 0.00 0.00 175.35 174.86 2kvu s PRO 19 N -0.79 3.27 0.00 1.78 0.05 -1.26 -4.66 135.00 133.38 2kvu s PRO 19 Ca -0.09 -0.44 0.00 0.00 0.05 0.00 0.00 61.00 60.52 2kvu s PRO 19 Cb -0.03 -4.07 0.00 0.00 0.05 0.00 0.00 34.50 30.45 2kvu s PRO 19 CO 0.06 -1.44 0.00 0.41 0.05 0.00 0.00 177.00 176.07 2kvu n GLY 20 N 5.14 0.13 3.61 0.56 0.00 -1.26 -5.12 105.19 108.25 2kvu n GLY 20 Ca -0.01 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.05 3.07 0.31 4.61 0.00 -1.26 -5.05 121.76 122.39 2kvu s ALA 21 Ca 0.00 -1.18 -0.10 0.00 0.00 0.00 0.00 51.96 50.68 2kvu s ALA 21 Cb 0.00 -1.02 -0.07 0.00 0.00 0.00 0.00 23.12 22.03 2kvu s ALA 21 CO 0.00 0.66 0.66 -0.51 0.00 0.00 0.00 175.76 176.57 2kvu s LEU 22 N -2.14 4.03 0.62 0.00 1.43 -1.26 -5.06 118.68 116.31 2kvu s LEU 22 Ca 0.22 1.04 -0.19 0.00 -1.03 0.00 0.00 54.13 54.17 2kvu s LEU 22 Cb -0.11 -3.85 -0.02 0.00 0.03 0.00 0.00 46.19 42.23 2kvu s LEU 22 CO 0.14 -0.22 1.27 -2.16 0.23 0.00 0.00 176.35 175.62 2kvu s PRO 23 N -3.26 2.72 0.29 1.29 0.04 -1.26 -4.93 135.00 129.89 2kvu s PRO 23 Ca 0.50 2.01 0.14 0.00 0.04 0.00 0.00 61.00 63.69 2kvu s PRO 23 Cb -0.11 -1.90 0.31 0.00 0.04 0.00 0.00 34.50 32.84 2kvu s PRO 23 CO 0.24 -1.45 1.56 0.00 0.04 0.00 0.00 177.00 177.39 2kvu h ALA 24 N 0.72 0.80 -2.44 8.56 0.00 -2.08 -3.35 119.26 121.47 2kvu h ALA 24 Ca -0.51 -0.51 -0.80 0.00 0.00 0.00 0.00 54.91 53.09 2kvu h ALA 24 Cb 1.32 -0.09 -0.28 0.00 0.00 0.00 0.00 17.79 18.74 2kvu h ALA 24 CO 0.54 0.70 0.52 0.09 0.00 0.00 0.00 179.25 181.10 2kvu n ASN 25 N -3.48 5.69 0.08 0.00 4.13 -1.26 -4.78 115.26 115.65 2kvu n ASN 25 Ca 0.00 -3.11 -0.23 0.00 1.68 0.00 0.00 54.58 52.92 2kvu n ASN 25 Cb 0.66 -1.36 -0.15 0.00 -1.54 0.00 0.00 39.78 37.40 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 6.40 0.62 -0.99 3.41 3.38 -1.96 -3.27 115.31 122.91 2kvu h LEU 26 Ca 0.18 -0.89 -0.01 0.00 0.09 0.00 0.00 57.88 57.25 2kvu h LEU 26 Cb 0.82 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 2kvu h LEU 26 CO 1.08 1.75 -0.05 -0.78 0.09 0.00 0.00 178.44 180.53 2kvu h ASP 27 N 0.11 0.00 1.61 -0.43 3.58 -1.95 -1.98 116.42 117.36 2kvu h ASP 27 Ca -0.33 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.12 2kvu h ASP 27 Cb 2.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.15 2kvu h ASP 27 CO 0.19 0.05 0.00 0.44 -2.88 0.00 0.00 179.24 177.03 2kvu h ASP 28 N 0.00 0.00 -3.97 2.28 3.32 -1.94 -3.45 116.42 112.66 2kvu h ASP 28 Ca -0.00 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 2kvu h ASP 28 Cb 0.70 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.25 2kvu h ASP 28 CO 0.01 0.00 0.37 -0.04 -1.72 0.00 0.00 179.24 177.86 2kvu s MET 29 N -3.25 4.29 0.78 3.56 -1.94 -0.75 -5.05 119.30 116.93 2kvu s MET 29 Ca 0.07 1.35 -0.12 0.00 -1.71 0.00 0.00 55.69 55.29 2kvu s MET 29 Cb 0.08 -2.51 0.06 0.00 2.01 0.00 0.00 34.83 34.47 2kvu s MET 29 CO 0.61 -0.00 1.12 0.15 -0.01 0.00 0.00 175.02 176.89 2kvu s LYS 30 N -2.56 2.25 0.26 2.03 1.02 -1.26 -4.85 119.74 116.64 2kvu s LYS 30 Ca 0.57 0.40 -0.04 0.00 0.02 0.00 0.00 55.97 56.91 2kvu s LYS 30 Cb -0.18 -1.96 0.32 0.00 -0.52 0.00 0.00 37.83 35.50 2kvu s LYS 30 CO 0.22 -1.45 1.88 0.28 -0.92 0.00 0.00 175.35 175.37 2kvu h VAL 31 N -0.95 1.24 0.00 3.17 2.07 -1.96 -0.36 116.25 119.45 2kvu h VAL 31 Ca -0.46 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.43 2kvu h VAL 31 Cb 1.28 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2kvu h VAL 31 CO 0.63 0.27 -0.14 0.00 0.02 0.00 0.00 177.57 178.35 2kvu h ALA 32 N 1.35 1.15 0.11 1.67 0.00 -2.00 -2.03 119.26 119.51 2kvu h ALA 32 Ca 0.28 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.89 2kvu h ALA 32 Cb 0.04 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.83 2kvu h ALA 32 CO -0.04 0.17 -0.77 0.93 0.00 0.00 0.00 179.25 179.53 2kvu h GLU 33 N 0.00 0.33 -0.68 0.00 4.39 -1.48 -3.21 114.58 113.93 2kvu h GLU 33 Ca -0.00 -0.50 0.02 0.00 0.34 0.00 0.00 59.36 59.21 2kvu h GLU 33 Cb 0.46 0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 29.25 2kvu h GLU 33 CO 0.02 1.21 0.44 -0.07 -1.16 0.00 0.00 179.01 179.45 2kvu h LEU 34 N -0.30 0.74 -1.59 1.33 3.38 -0.91 -1.99 115.31 115.97 2kvu h LEU 34 Ca -0.13 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.88 2kvu h LEU 34 Cb 1.57 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 42.12 2kvu h LEU 34 CO 0.15 0.53 0.34 0.11 0.09 0.00 0.00 178.44 179.65 2kvu h LYS 35 N 0.88 0.50 0.18 1.13 1.57 -1.47 -1.15 116.57 118.21 2kvu h LYS 35 Ca 0.26 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 2kvu h LYS 35 Cb -0.05 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.15 2kvu h LYS 35 CO -0.08 0.33 -0.09 1.96 -0.57 0.00 0.00 179.45 181.01 2kvu h GLN 36 N 0.52 -0.24 0.00 3.15 1.08 -1.36 -0.22 115.11 118.04 2kvu h GLN 36 Ca 0.21 0.02 -0.10 0.00 -1.45 0.00 0.00 58.65 57.33 2kvu h GLN 36 Cb 0.19 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 2kvu h GLN 36 CO -0.06 -0.14 -0.48 0.93 -0.95 0.00 0.00 178.83 178.13 2kvu h GLU 37 N -0.27 0.00 0.59 1.46 5.08 -1.44 -2.49 114.58 117.52 2kvu h GLU 37 Ca -0.03 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2kvu h GLU 37 Cb 0.21 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.46 2kvu h GLU 37 CO 0.04 0.48 -0.28 -0.07 -1.00 0.00 0.00 179.01 178.18 2kvu h LEU 38 N 0.00 -0.67 -1.73 1.33 3.38 -0.90 -2.25 115.31 114.46 2kvu h LEU 38 Ca -0.00 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2kvu h LEU 38 Cb 0.96 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2kvu h LEU 38 CO 0.06 -0.40 -0.17 0.07 0.09 0.00 0.00 178.44 178.09 2kvu h LYS 39 N -0.91 0.00 0.00 1.13 2.10 -1.00 0.33 116.57 118.22 2kvu h LYS 39 Ca -0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 2kvu h LYS 39 Cb 0.65 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.98 2kvu h LYS 39 CO 0.13 0.17 -0.05 -0.07 -2.00 0.00 0.00 179.45 177.63 2kvu h LEU 40 N 0.00 0.00 -3.26 7.07 3.38 -1.40 -3.22 115.31 117.88 2kvu h LEU 40 Ca -0.00 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2kvu h LEU 40 Cb 0.38 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2kvu h LEU 40 CO 0.02 0.00 -0.02 0.54 0.09 0.00 0.00 178.44 179.07 2kvu n ARG 41 N -2.70 2.37 -1.40 1.13 1.74 -0.44 -4.94 116.66 112.43 2kvu n ARG 41 Ca 0.05 -2.92 -0.11 0.00 -0.77 0.00 0.00 57.85 54.09 2kvu n ARG 41 Cb 0.49 -1.80 -0.05 0.00 -1.02 0.00 0.00 32.46 30.08 2kvu n ARG 41 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2kvu n SER 42 N -0.82 -4.33 -4.90 0.55 2.88 -0.99 -5.00 113.62 101.01 2kvu n SER 42 Ca 0.25 0.26 -0.34 0.00 -1.33 0.00 0.00 58.87 57.71 2kvu n SER 42 Cb 0.91 -2.90 -0.05 0.00 -0.75 0.00 0.00 64.21 61.42 2kvu n SER 42 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2kvu s LEU 43 N -2.66 4.37 0.38 2.46 1.43 0.10 -5.00 118.68 119.77 2kvu s LEU 43 Ca 0.00 0.38 -0.27 0.00 -1.03 0.00 0.00 54.13 53.20 2kvu s LEU 43 Cb 0.00 -2.56 -0.10 0.00 0.03 0.00 0.00 46.19 43.57 2kvu s LEU 43 CO 0.00 0.28 1.37 -2.84 0.23 0.00 0.00 176.35 175.39 2kvu s PRO 44 N -1.82 4.08 -0.00 1.29 0.02 -1.26 -3.43 135.00 133.88 2kvu s PRO 44 Ca 0.26 2.33 0.21 0.00 0.02 0.00 0.00 61.00 63.82 2kvu s PRO 44 Cb -0.13 -2.90 -0.19 0.00 0.02 0.00 0.00 34.50 31.31 2kvu s PRO 44 CO 0.17 -0.46 0.88 1.33 -0.33 0.00 0.00 177.00 178.59 2kvu n VAL 45 N 0.38 0.01 -2.89 3.83 0.24 -1.26 -4.85 118.33 113.79 2kvu n VAL 45 Ca 0.02 -0.07 -0.38 0.00 -2.04 0.00 0.00 64.34 61.87 2kvu n VAL 45 Cb 0.42 0.79 -0.06 0.00 -1.47 0.00 0.00 33.84 33.52 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 -3.23 7.33 0.00 -1.34 0.15 -1.26 -4.85 113.70 110.49 2kvu s SER 46 Ca 0.06 1.72 0.00 0.00 0.70 0.00 0.00 55.95 58.43 2kvu s SER 46 Cb 0.16 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 2kvu s SER 46 CO 0.86 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.96 2kvu n GLY 47 N 0.95 3.31 3.80 9.45 0.00 -1.26 -4.93 105.19 116.50 2kvu n GLY 47 Ca -0.01 -1.75 -0.30 0.00 0.00 0.00 0.00 46.02 43.95 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 -2.02 3.48 0.14 2.61 -4.23 -1.26 -4.80 115.64 109.56 2kvu s THR 48 Ca 0.00 0.48 -0.21 0.00 -1.18 0.00 0.00 61.69 60.78 2kvu s THR 48 Cb 0.00 -3.18 -0.00 0.00 1.34 0.00 0.00 72.50 70.66 2kvu s THR 48 CO 0.00 -0.63 1.67 0.50 -0.54 0.00 0.00 174.62 175.62 2kvu h LYS 49 N -0.97 -0.12 -0.94 3.99 3.64 -1.99 0.24 116.57 120.42 2kvu h LYS 49 Ca -0.45 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 58.96 2kvu h LYS 49 Cb 1.24 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 33.04 2kvu h LYS 49 CO 0.57 -0.08 0.62 1.15 -2.27 0.00 0.00 179.45 179.43 2kvu h THR 50 N -0.13 1.20 -0.46 1.00 2.02 -1.99 -0.32 112.91 114.23 2kvu h THR 50 Ca 0.11 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 2kvu h THR 50 Cb 0.30 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.55 2kvu h THR 50 CO -0.27 0.22 0.27 -0.33 0.37 0.00 0.00 175.52 175.78 2kvu h GLU 51 N 1.23 0.64 -0.63 6.66 4.39 -1.69 -0.77 114.58 124.41 2kvu h GLU 51 Ca 0.36 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.96 2kvu h GLU 51 Cb -0.08 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.41 2kvu h GLU 51 CO -0.09 0.48 0.29 -0.07 -1.16 0.00 0.00 179.01 178.45 2kvu h LEU 52 N 0.61 0.85 0.19 1.33 3.38 -0.25 0.16 115.31 121.58 2kvu h LEU 52 Ca 0.16 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2kvu h LEU 52 Cb 0.02 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.55 2kvu h LEU 52 CO -0.03 0.76 -0.09 0.40 0.09 0.00 0.00 178.44 179.57 2kvu h ILE 53 N 0.88 0.83 -0.08 1.22 2.04 -0.76 -1.98 117.51 119.65 2kvu h ILE 53 Ca 0.22 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 65.93 2kvu h ILE 53 Cb 0.15 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2kvu h ILE 53 CO -0.02 0.02 -0.33 -0.33 0.00 0.00 0.00 178.15 177.48 2kvu h GLU 54 N -0.29 0.15 -0.98 2.37 5.08 -1.01 -1.36 114.58 118.54 2kvu h GLU 54 Ca -0.03 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2kvu h GLU 54 Cb 0.22 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 2kvu h GLU 54 CO 0.04 0.47 0.65 -0.09 -1.00 0.00 0.00 179.01 179.08 2kvu h ARG 55 N 0.13 1.29 -0.24 2.33 2.43 -0.41 0.36 114.38 120.26 2kvu h ARG 55 Ca 0.02 -0.08 -0.08 0.00 -0.81 0.00 0.00 59.98 59.03 2kvu h ARG 55 Cb 0.65 -0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 2kvu h ARG 55 CO 0.05 0.85 -0.16 -0.07 -1.51 0.00 0.00 179.97 179.13 2kvu h LEU 56 N 1.33 0.56 -1.05 3.80 3.38 -0.78 -1.99 115.31 120.55 2kvu h LEU 56 Ca 0.36 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 2kvu h LEU 56 Cb -0.14 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 2kvu h LEU 56 CO -0.08 0.87 -0.19 0.03 0.09 0.00 0.00 178.44 179.16 2kvu h ARG 57 N 0.24 0.45 -0.01 1.13 3.08 -0.57 0.12 114.38 118.83 2kvu h ARG 57 Ca 0.05 -0.15 -0.17 0.00 0.07 0.00 0.00 59.98 59.78 2kvu h ARG 57 Cb 0.69 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 2kvu h ARG 57 CO 0.04 0.62 -0.79 0.00 -1.07 0.00 0.00 179.97 178.78 2kvu h ALA 58 N 1.39 0.66 -0.30 0.04 0.00 -0.34 0.11 119.26 120.82 2kvu h ALA 58 Ca 0.07 -0.69 -0.10 0.00 0.00 0.00 0.00 54.91 54.19 2kvu h ALA 58 Cb 0.57 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2kvu h ALA 58 CO 0.04 0.91 -0.20 -0.92 0.00 0.00 0.00 179.25 179.08 2kvu h TYR 59 N 0.06 0.78 0.00 0.00 3.20 -0.67 -2.94 116.97 117.41 2kvu h TYR 59 Ca -0.02 -0.21 -0.14 0.00 3.14 0.00 0.00 58.73 61.50 2kvu h TYR 59 Cb 1.39 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.46 2kvu h TYR 59 CO 0.01 0.92 -0.68 0.37 -1.64 0.00 0.00 178.16 177.15 2kvu h GLN 60 N 0.42 0.00 -0.63 1.82 -0.00 -0.75 -3.19 115.11 112.79 2kvu h GLN 60 Ca 0.06 0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.75 2kvu h GLN 60 Cb 0.74 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 28.17 2kvu h GLN 60 CO 0.05 0.68 0.36 0.22 0.00 0.00 0.00 178.83 180.14 2kvu h ASP 61 N 0.00 0.56 0.71 -0.69 3.58 -0.68 -0.77 116.42 119.13 2kvu h ASP 61 Ca -0.01 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2kvu h ASP 61 Cb 1.21 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.16 2kvu h ASP 61 CO 0.09 0.38 0.00 0.00 -2.88 0.00 0.00 179.24 176.82 2kvu n GLN 62 N -4.77 0.21 0.02 0.28 10.64 -1.12 -2.48 117.38 120.16 2kvu n GLN 62 Ca 0.07 0.03 -0.10 0.00 -1.83 0.00 0.00 57.00 55.17 2kvu n GLN 62 Cb 0.13 -1.50 -0.13 0.00 -0.86 0.00 0.00 30.24 27.87 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 1.13 -3.06 -0.39 2.04 -1.17 -3.46 117.51 112.61 2kvu h ILE 63 Ca 0.00 -2.91 -0.60 0.00 1.00 0.00 0.00 64.86 62.35 2kvu h ILE 63 Cb 0.36 2.60 -0.05 0.00 -0.74 0.00 0.00 36.82 38.98 2kvu h ILE 63 CO 0.00 0.70 -0.21 -0.55 0.00 0.00 0.00 178.15 178.09 2kvu s SER 64 N -6.45 6.76 -0.17 1.72 0.15 -0.70 -5.02 113.70 109.99 2kvu s SER 64 Ca -0.04 0.92 -0.31 0.00 0.70 0.00 0.00 55.95 57.21 2kvu s SER 64 Cb 0.08 -2.23 -0.08 0.00 -1.71 0.00 0.00 66.02 62.08 2kvu s SER 64 CO 0.83 0.27 2.10 -2.65 1.20 0.00 0.00 173.24 174.99 2kvu n PRO 65 N 1.48 2.02 -2.78 5.44 -0.02 -1.26 -4.90 135.00 134.98 2kvu n PRO 65 Ca -0.12 0.64 -0.40 0.00 -2.02 0.00 0.00 63.50 61.60 2kvu n PRO 65 Cb 0.52 -2.94 -0.05 0.00 -0.02 0.00 0.00 33.50 31.01 2kvu n PRO 65 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2kvu s VAL 66 N 6.58 4.28 0.06 -1.45 -7.23 -1.26 -5.00 120.40 116.37 2kvu s VAL 66 Ca 0.99 2.03 -0.30 0.00 -1.81 0.00 0.00 61.98 62.89 2kvu s VAL 66 Cb -0.52 -4.30 -0.15 0.00 0.56 0.00 0.00 36.38 31.97 2kvu s VAL 66 CO 0.42 0.43 1.46 -0.65 -0.31 0.00 0.00 175.10 176.45 2kvu h PRO 67 N 4.72 -0.87 0.00 4.82 0.11 -1.99 -3.42 132.00 135.36 2kvu h PRO 67 Ca -0.44 0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2kvu h PRO 67 Cb 1.20 0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.51 2kvu h PRO 67 CO 0.69 -0.58 0.00 0.41 -0.21 0.00 0.00 178.00 178.31 2kvu n GLY 68 N -1.49 1.00 2.41 -0.55 0.00 -1.26 -5.11 105.19 100.20 2kvu n GLY 68 Ca -0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.56 -1.54 4.61 0.00 -1.26 -4.75 120.51 114.01 2kvu n ALA 69 Ca 0.00 1.68 -0.37 0.00 0.00 0.00 0.00 53.44 54.75 2kvu n ALA 69 Cb 0.17 -3.28 -0.06 0.00 0.00 0.00 0.00 19.45 16.27 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 1.22 0.78 -2.91 0.00 -0.02 -1.26 -4.89 135.00 127.92 2kvu n PRO 70 Ca -0.28 -0.01 -0.43 0.00 -2.02 0.00 0.00 63.50 60.76 2kvu n PRO 70 Cb 0.43 -2.96 -0.04 0.00 -0.02 0.00 0.00 33.50 30.91 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 8.47 3.15 -0.49 -0.52 2.47 -1.26 -4.96 119.74 126.59 2kvu s LYS 71 Ca 1.08 -1.01 -0.40 0.00 -1.56 0.00 0.00 55.97 54.08 2kvu s LYS 71 Cb -0.45 -4.31 -0.17 0.00 -1.46 0.00 0.00 37.83 31.45 2kvu s LYS 71 CO 0.32 -1.77 2.21 0.00 0.16 0.00 0.00 175.35 176.27 2kvu n ALA 72 N 7.35 0.51 -2.80 3.13 0.00 -1.26 -4.94 120.51 122.51 2kvu n ALA 72 Ca -0.02 0.05 -0.09 0.00 0.00 0.00 0.00 53.44 53.38 2kvu n ALA 72 Cb 0.45 -2.27 0.03 0.00 0.00 0.00 0.00 19.45 17.66 2kvu n ALA 72 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2kvu n PRO 73 N 7.84 0.69 -3.74 0.00 -0.04 -1.26 -5.15 135.00 133.34 2kvu n PRO 73 Ca 0.51 -1.07 -0.11 0.00 -0.04 0.00 0.00 63.50 62.79 2kvu n PRO 73 Cb 0.06 -0.14 -0.07 0.00 -0.04 0.00 0.00 33.50 33.32 2kvu n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kvu s ALA 74 N -2.47 -0.72 -1.62 0.55 0.00 -1.26 -5.31 121.76 110.93 2kvu s ALA 74 Ca 0.22 0.01 0.13 0.00 0.00 0.00 0.00 51.96 52.33 2kvu s ALA 74 Cb -0.02 0.36 0.10 0.00 0.00 0.00 0.00 23.12 23.57 2kvu s ALA 74 CO 0.14 -0.44 0.91 0.00 0.00 0.00 0.00 175.76 176.37