#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 0.59 3.96 3.03 0.00 -1.26 -4.97 105.19 106.54 2kvu n GLY 2 Ca 0.00 -1.24 -0.22 0.00 0.00 0.00 0.00 46.02 44.56 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 0.00 3.47 -0.46 1.61 4.02 -1.26 -5.04 115.29 117.63 2kvu s HIS 3 Ca 0.00 0.09 -0.28 0.00 1.02 0.00 0.00 55.06 55.89 2kvu s HIS 3 Cb 0.00 -1.67 0.01 0.00 -1.02 0.00 0.00 32.58 29.91 2kvu s HIS 3 CO 0.00 0.36 1.41 -1.01 1.02 0.00 0.00 174.74 176.52 2kvu s HIS 4 N -2.06 2.36 0.00 1.40 4.02 -1.26 -4.86 115.29 114.90 2kvu s HIS 4 Ca 0.36 0.62 0.25 0.00 1.02 0.00 0.00 55.06 57.31 2kvu s HIS 4 Cb -0.09 -4.34 0.83 0.00 -1.02 0.00 0.00 32.58 27.96 2kvu s HIS 4 CO 0.31 -1.96 1.78 0.45 1.02 0.00 0.00 174.74 176.34 2kvu h HIS 5 N 10.85 0.00 -2.23 1.40 -0.00 -1.97 -3.33 115.15 119.86 2kvu h HIS 5 Ca -0.27 0.00 -0.77 0.00 -0.00 0.00 0.00 60.37 59.33 2kvu h HIS 5 Cb 1.10 0.00 -0.20 0.00 -0.00 0.00 0.00 27.41 28.31 2kvu h HIS 5 CO 0.99 0.17 1.36 1.58 -0.00 0.00 0.00 177.93 182.03 2kvu n HIS 6 N -3.26 3.81 -3.69 2.45 -0.00 -1.26 -4.89 115.22 108.39 2kvu n HIS 6 Ca 0.01 -3.10 -0.10 0.00 0.46 0.00 0.00 57.72 54.98 2kvu n HIS 6 Cb 0.45 -1.86 -0.10 0.00 -0.12 0.00 0.00 29.99 28.36 2kvu n HIS 6 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kvu s HIS 7 N -0.08 -0.68 0.03 1.57 5.65 -1.25 -5.17 115.29 115.37 2kvu s HIS 7 Ca 0.38 1.45 -0.00 0.00 0.25 0.00 0.00 55.06 57.14 2kvu s HIS 7 Cb 0.02 0.32 -0.04 0.00 -1.18 0.00 0.00 32.58 31.70 2kvu s HIS 7 CO 0.01 -0.36 0.14 -1.01 -0.65 0.00 0.00 174.74 172.87 2kvu s HIS 8 N 1.21 3.38 -0.27 3.88 4.02 -1.26 -5.07 115.29 121.17 2kvu s HIS 8 Ca -0.08 0.22 -0.22 0.00 1.02 0.00 0.00 55.06 56.00 2kvu s HIS 8 Cb -0.07 -1.74 -0.01 0.00 -1.02 0.00 0.00 32.58 29.75 2kvu s HIS 8 CO -0.11 0.58 0.73 0.45 1.02 0.00 0.00 174.74 177.40 2kvu s SER 9 N -2.13 6.66 0.36 1.40 0.15 -1.26 -4.91 113.70 113.96 2kvu s SER 9 Ca 0.28 0.74 0.23 0.00 0.70 0.00 0.00 55.95 57.90 2kvu s SER 9 Cb -0.12 -2.38 0.22 0.00 -1.71 0.00 0.00 66.02 62.02 2kvu s SER 9 CO 0.20 -0.50 1.41 -0.74 1.20 0.00 0.00 173.24 174.82 2kvu h HIS 10 N 7.95 0.00 -0.14 3.44 2.76 -2.04 -3.07 115.15 124.05 2kvu h HIS 10 Ca -0.25 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 57.83 2kvu h HIS 10 Cb 1.11 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.05 2kvu h HIS 10 CO 0.76 0.01 -0.30 1.98 -1.30 0.00 0.00 177.93 179.08 2kvu h MET 11 N 0.00 0.27 -5.71 5.26 1.85 -2.06 -3.35 114.93 111.19 2kvu h MET 11 Ca -0.00 -0.10 -0.63 0.00 -0.61 0.00 0.00 59.70 58.36 2kvu h MET 11 Cb 1.01 -0.02 -0.13 0.00 0.43 0.00 0.00 31.60 32.89 2kvu h MET 11 CO 0.00 0.55 1.18 -1.12 -0.40 0.00 0.00 176.91 177.12 2kvu s SER 12 N -6.87 6.50 -0.12 1.39 0.01 -1.16 -4.99 113.70 108.47 2kvu s SER 12 Ca -0.05 -1.56 -0.05 0.00 1.31 0.00 0.00 55.95 55.60 2kvu s SER 12 Cb 0.14 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 2kvu s SER 12 CO 0.76 -1.37 0.08 -0.89 0.41 0.00 0.00 173.24 172.23 2kvu s THR 13 N 4.18 5.00 -0.84 1.44 2.01 -1.26 -4.86 115.64 121.31 2kvu s THR 13 Ca 0.39 0.02 -0.25 0.00 0.31 0.00 0.00 61.69 62.16 2kvu s THR 13 Cb -0.03 -3.16 -0.03 0.00 0.01 0.00 0.00 72.50 69.29 2kvu s THR 13 CO -0.07 0.59 1.86 -2.84 -0.69 0.00 0.00 174.62 173.47 2kvu s PRO 14 N -0.80 2.69 0.35 4.92 0.02 -1.26 -4.81 135.00 136.11 2kvu s PRO 14 Ca 0.13 -0.15 0.04 0.00 0.02 0.00 0.00 61.00 61.04 2kvu s PRO 14 Cb -0.12 -4.90 0.64 0.00 0.02 0.00 0.00 34.50 30.14 2kvu s PRO 14 CO 0.03 -3.07 1.94 -0.07 -0.33 0.00 0.00 177.00 175.49 2kvu h LEU 15 N 16.89 0.58 -8.44 -5.54 4.07 -2.01 -3.44 115.31 117.42 2kvu h LEU 15 Ca 0.01 -0.07 -0.19 0.00 0.08 0.00 0.00 57.88 57.71 2kvu h LEU 15 Cb 1.04 -0.15 -0.15 0.00 1.08 0.00 0.00 40.66 42.49 2kvu h LEU 15 CO 1.23 0.54 -0.65 0.28 -1.08 0.00 0.00 178.44 178.76 2kvu s THR 16 N -5.27 0.15 0.00 0.22 -1.32 -1.26 -5.16 115.64 103.00 2kvu s THR 16 Ca -0.09 -1.91 0.00 0.00 -1.21 0.00 0.00 61.69 58.48 2kvu s THR 16 Cb 0.16 -2.03 0.00 0.00 -1.51 0.00 0.00 72.50 69.13 2kvu s THR 16 CO 0.76 -0.49 0.00 0.61 -2.21 0.00 0.00 174.62 173.29 2kvu n GLY 17 N -0.10 1.63 3.16 6.08 0.00 -1.26 -5.17 105.19 109.53 2kvu n GLY 17 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 3.01 0.62 0.10 1.61 -0.14 -1.26 -5.13 119.74 118.56 2kvu s LYS 18 Ca 0.00 -0.53 -0.32 0.00 -1.36 0.00 0.00 55.97 53.75 2kvu s LYS 18 Cb 0.00 0.26 -0.12 0.00 -1.68 0.00 0.00 37.83 36.29 2kvu s LYS 18 CO 0.00 -0.17 1.77 -2.30 -0.76 0.00 0.00 175.35 173.89 2kvu n PRO 19 N 0.97 2.52 0.00 -1.68 -0.02 -1.26 -4.44 135.00 131.09 2kvu n PRO 19 Ca -0.20 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2kvu n PRO 19 Cb 0.58 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 2kvu n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kvu n GLY 20 N 4.03 0.14 3.99 -1.23 0.00 -1.26 -5.05 105.19 105.81 2kvu n GLY 20 Ca 0.18 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 3.62 0.33 4.61 0.00 -1.26 -5.04 121.76 124.03 2kvu s ALA 21 Ca 0.00 -1.77 -0.07 0.00 0.00 0.00 0.00 51.96 50.12 2kvu s ALA 21 Cb 0.00 -2.02 -0.06 0.00 0.00 0.00 0.00 23.12 21.04 2kvu s ALA 21 CO 0.00 -1.60 0.63 -0.51 0.00 0.00 0.00 175.76 174.29 2kvu s LEU 22 N -5.22 3.97 0.00 0.00 1.43 -1.26 -5.10 118.68 112.50 2kvu s LEU 22 Ca 0.68 0.87 -0.07 0.00 -1.03 0.00 0.00 54.13 54.58 2kvu s LEU 22 Cb -0.04 -3.71 0.10 0.00 0.03 0.00 0.00 46.19 42.57 2kvu s LEU 22 CO 0.45 -0.27 0.36 -0.81 0.23 0.00 0.00 176.35 176.31 2kvu n PRO 23 N -1.08 -1.75 -0.07 1.29 -0.04 -1.26 -5.02 135.00 127.08 2kvu n PRO 23 Ca -0.00 -0.57 -0.17 0.00 -0.04 0.00 0.00 63.50 62.71 2kvu n PRO 23 Cb 0.54 -0.54 -0.13 0.00 -0.04 0.00 0.00 33.50 33.33 2kvu n PRO 23 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kvu h ALA 24 N -2.25 0.09 -2.94 0.55 0.00 -2.08 -3.42 119.26 109.21 2kvu h ALA 24 Ca -0.13 -0.78 -0.76 0.00 0.00 0.00 0.00 54.91 53.24 2kvu h ALA 24 Cb 0.41 0.27 -0.29 0.00 0.00 0.00 0.00 17.79 18.18 2kvu h ALA 24 CO 0.09 0.31 -0.05 -0.80 0.00 0.00 0.00 179.25 178.80 2kvu s ASN 25 N -6.54 6.24 0.38 0.00 -0.87 -1.26 -4.80 114.94 108.10 2kvu s ASN 25 Ca -0.22 -2.81 0.20 0.00 -1.57 0.00 0.00 52.86 48.47 2kvu s ASN 25 Cb 0.01 -2.08 0.25 0.00 -0.02 0.00 0.00 41.25 39.41 2kvu s ASN 25 CO 0.68 -0.48 1.55 -0.07 -2.57 0.00 0.00 177.10 176.21 2kvu h LEU 26 N 7.44 0.00 0.00 0.60 3.38 -1.97 -3.28 115.31 121.48 2kvu h LEU 26 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2kvu h LEU 26 Cb 1.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 2kvu h LEU 26 CO 0.74 0.19 -0.07 -2.24 0.09 0.00 0.00 178.44 177.16 2kvu h ASP 27 N 0.00 0.00 0.93 -0.43 2.03 -1.96 -3.26 116.42 113.74 2kvu h ASP 27 Ca -0.00 0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 56.08 2kvu h ASP 27 Cb 1.14 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.61 2kvu h ASP 27 CO 0.03 0.05 -1.07 -0.78 -1.03 0.00 0.00 179.24 176.44 2kvu h ASP 28 N 0.00 0.04 -4.17 4.15 3.58 -1.96 -3.46 116.42 114.60 2kvu h ASP 28 Ca -0.00 -0.04 -0.49 0.00 0.42 0.00 0.00 57.03 56.91 2kvu h ASP 28 Cb 1.04 -0.01 0.14 0.00 1.72 0.00 0.00 39.33 42.21 2kvu h ASP 28 CO 0.01 1.03 0.28 -0.04 -2.88 0.00 0.00 179.24 177.64 2kvu s MET 29 N -2.70 1.64 0.91 0.28 -1.94 -1.23 -5.02 119.30 111.23 2kvu s MET 29 Ca 0.00 0.91 -0.12 0.00 -1.71 0.00 0.00 55.69 54.77 2kvu s MET 29 Cb 0.10 -1.85 0.13 0.00 2.01 0.00 0.00 34.83 35.23 2kvu s MET 29 CO 0.83 -2.00 1.11 0.15 -0.01 0.00 0.00 175.02 175.09 2kvu s LYS 30 N -4.94 1.18 0.26 2.03 1.02 -1.26 -4.90 119.74 113.13 2kvu s LYS 30 Ca 0.62 0.48 0.01 0.00 0.02 0.00 0.00 55.97 57.11 2kvu s LYS 30 Cb -0.17 -1.83 0.34 0.00 -0.52 0.00 0.00 37.83 35.65 2kvu s LYS 30 CO 0.56 -2.21 1.68 0.28 -0.92 0.00 0.00 175.35 174.75 2kvu h VAL 31 N -1.51 1.28 -0.48 3.17 2.07 -1.97 -2.43 116.25 116.37 2kvu h VAL 31 Ca -0.51 -1.35 -0.07 0.00 0.82 0.00 0.00 66.70 65.60 2kvu h VAL 31 Cb 1.31 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 2kvu h VAL 31 CO 0.59 0.43 0.02 0.00 0.02 0.00 0.00 177.57 178.63 2kvu h ALA 32 N 1.24 1.14 -0.58 1.67 0.00 -1.99 -1.61 119.26 119.13 2kvu h ALA 32 Ca 0.06 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 2kvu h ALA 32 Cb 0.73 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2kvu h ALA 32 CO 0.06 0.56 -0.03 0.93 0.00 0.00 0.00 179.25 180.76 2kvu h GLU 33 N 0.73 1.04 -0.67 0.00 4.39 -1.83 -2.27 114.58 115.96 2kvu h GLU 33 Ca 0.15 -0.35 -0.03 0.00 0.34 0.00 0.00 59.36 59.47 2kvu h GLU 33 Cb 0.42 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 2kvu h GLU 33 CO 0.02 1.04 0.31 -0.07 -1.16 0.00 0.00 179.01 179.15 2kvu h LEU 34 N 0.93 0.89 -1.53 1.33 3.38 -1.15 -2.51 115.31 116.65 2kvu h LEU 34 Ca 0.16 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2kvu h LEU 34 Cb 0.59 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2kvu h LEU 34 CO 0.04 0.78 0.28 0.11 0.09 0.00 0.00 178.44 179.73 2kvu h LYS 35 N 0.94 0.59 -0.34 1.13 1.57 -0.95 -1.51 116.57 117.98 2kvu h LYS 35 Ca 0.23 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 2kvu h LYS 35 Cb 0.13 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 2kvu h LYS 35 CO -0.03 0.40 0.17 1.96 -0.57 0.00 0.00 179.45 181.39 2kvu h GLN 36 N 0.60 0.49 0.00 3.15 1.08 -0.97 0.25 115.11 119.71 2kvu h GLN 36 Ca 0.16 -0.07 -0.05 0.00 -1.45 0.00 0.00 58.65 57.24 2kvu h GLN 36 Cb -0.04 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.29 2kvu h GLN 36 CO -0.03 0.43 -0.25 0.93 -0.95 0.00 0.00 178.83 178.97 2kvu h GLU 37 N 0.42 0.00 0.01 1.46 4.39 -1.22 -2.55 114.58 117.10 2kvu h GLU 37 Ca 0.12 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 2kvu h GLU 37 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2kvu h GLU 37 CO -0.02 0.25 -0.00 -0.07 -1.16 0.00 0.00 179.01 178.01 2kvu h LEU 38 N 0.00 -0.01 -1.80 1.33 3.38 -0.76 -3.29 115.31 114.17 2kvu h LEU 38 Ca -0.00 -0.82 -0.03 0.00 0.09 0.00 0.00 57.88 57.12 2kvu h LEU 38 Cb 0.47 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2kvu h LEU 38 CO 0.03 0.86 -0.15 0.07 0.09 0.00 0.00 178.44 179.34 2kvu h LYS 39 N -0.92 0.00 0.00 1.13 2.10 -0.46 0.21 116.57 118.63 2kvu h LYS 39 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2kvu h LYS 39 Cb 0.83 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.16 2kvu h LYS 39 CO 0.00 0.15 0.00 1.28 -2.00 0.00 0.00 179.45 178.88 2kvu n LEU 40 N -3.73 0.11 -0.14 7.07 4.77 -0.97 -3.53 117.00 120.58 2kvu n LEU 40 Ca -0.02 0.51 0.06 0.00 -0.03 0.00 0.00 56.01 56.53 2kvu n LEU 40 Cb 0.26 -0.48 0.08 0.00 -2.33 0.00 0.00 43.42 40.95 2kvu n LEU 40 CO 0.31 -0.02 0.47 0.54 -1.33 0.00 0.00 177.39 177.36 2kvu n ARG 41 N -1.60 1.23 -2.44 3.23 1.74 -0.01 -4.98 116.66 113.83 2kvu n ARG 41 Ca 0.07 -1.94 -0.19 0.00 -0.77 0.00 0.00 57.85 55.02 2kvu n ARG 41 Cb 0.35 -1.15 -0.00 0.00 -1.02 0.00 0.00 32.46 30.64 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 -0.89 -5.42 -4.90 0.55 7.64 -0.67 -4.99 113.62 104.93 2kvu n SER 42 Ca 0.09 -0.05 -0.32 0.00 1.01 0.00 0.00 58.87 59.60 2kvu n SER 42 Cb 0.58 -4.44 -0.05 0.00 -1.01 0.00 0.00 64.21 59.29 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 -5.44 4.30 0.04 -3.43 1.43 0.52 -5.01 118.68 111.09 2kvu s LEU 43 Ca 0.04 0.52 -0.30 0.00 -1.03 0.00 0.00 54.13 53.36 2kvu s LEU 43 Cb -0.02 -3.19 -0.08 0.00 0.03 0.00 0.00 46.19 42.93 2kvu s LEU 43 CO 0.05 0.09 1.73 -2.84 0.23 0.00 0.00 176.35 175.61 2kvu s PRO 44 N -2.55 4.18 0.00 1.29 0.02 -1.26 -4.19 135.00 132.49 2kvu s PRO 44 Ca 0.39 2.38 0.24 0.00 0.02 0.00 0.00 61.00 64.03 2kvu s PRO 44 Cb -0.12 -3.78 0.30 0.00 0.02 0.00 0.00 34.50 30.92 2kvu s PRO 44 CO 0.25 -0.81 1.27 1.33 -0.33 0.00 0.00 177.00 178.71 2kvu n VAL 45 N 5.03 0.00 -2.82 3.83 0.24 -1.26 -4.90 118.33 118.45 2kvu n VAL 45 Ca 0.17 -0.08 -0.28 0.00 -2.04 0.00 0.00 64.34 62.11 2kvu n VAL 45 Cb 0.41 0.65 -0.02 0.00 -1.47 0.00 0.00 33.84 33.41 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 -2.78 6.38 0.00 -1.34 0.15 -1.26 -4.91 113.70 109.94 2kvu s SER 46 Ca 0.15 0.96 0.00 0.00 0.70 0.00 0.00 55.95 57.76 2kvu s SER 46 Cb 0.18 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.23 2kvu s SER 46 CO 0.67 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 175.26 2kvu n GLY 47 N -1.74 0.01 3.91 9.45 0.00 -1.26 -4.87 105.19 110.69 2kvu n GLY 47 Ca 0.01 -2.26 -0.27 0.00 0.00 0.00 0.00 46.02 43.49 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 0.00 3.08 0.26 2.61 -4.23 -1.26 -4.95 115.64 111.15 2kvu s THR 48 Ca 0.00 0.04 -0.04 0.00 -1.18 0.00 0.00 61.69 60.52 2kvu s THR 48 Cb 0.00 -3.29 0.16 0.00 1.34 0.00 0.00 72.50 70.71 2kvu s THR 48 CO 0.00 -0.33 1.81 0.50 -0.54 0.00 0.00 174.62 176.06 2kvu h LYS 49 N -0.49 0.98 -0.92 3.99 3.64 -1.98 -2.19 116.57 119.60 2kvu h LYS 49 Ca -0.45 -0.18 0.07 0.00 -1.27 0.00 0.00 60.65 58.82 2kvu h LYS 49 Cb 1.28 -0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 32.88 2kvu h LYS 49 CO 0.62 0.83 0.57 1.15 -2.27 0.00 0.00 179.45 180.35 2kvu h THR 50 N 0.96 1.02 0.31 1.00 2.02 -2.00 -0.64 112.91 115.58 2kvu h THR 50 Ca 0.22 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 2kvu h THR 50 Cb 0.25 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.57 2kvu h THR 50 CO -0.01 0.19 -0.19 -0.33 0.37 0.00 0.00 175.52 175.55 2kvu h GLU 51 N 1.02 -0.46 -0.31 6.66 4.39 -1.79 -2.88 114.58 121.21 2kvu h GLU 51 Ca 0.41 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 60.14 2kvu h GLU 51 Cb 0.23 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 2kvu h GLU 51 CO -0.19 -0.31 0.17 -0.07 -1.16 0.00 0.00 179.01 177.45 2kvu h LEU 52 N -0.48 0.38 0.17 1.33 3.38 -0.91 -0.25 115.31 118.94 2kvu h LEU 52 Ca -0.03 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.86 2kvu h LEU 52 Cb 0.40 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2kvu h LEU 52 CO 0.03 0.36 -0.25 0.40 0.09 0.00 0.00 178.44 179.07 2kvu h ILE 53 N 0.38 0.45 0.00 1.22 2.04 -1.17 -2.14 117.51 118.29 2kvu h ILE 53 Ca 0.11 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.88 2kvu h ILE 53 Cb 0.06 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 2kvu h ILE 53 CO -0.02 0.00 -0.41 -0.33 0.00 0.00 0.00 178.15 177.39 2kvu h GLU 54 N -0.49 0.00 -0.61 2.37 5.08 -1.42 -2.66 114.58 116.85 2kvu h GLU 54 Ca 0.02 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 2kvu h GLU 54 Cb 0.49 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 2kvu h GLU 54 CO -0.11 0.41 0.13 -0.09 -1.00 0.00 0.00 179.01 178.36 2kvu h ARG 55 N 0.00 0.96 -0.41 2.33 2.43 -0.85 0.13 114.38 118.96 2kvu h ARG 55 Ca -0.00 -0.22 -0.03 0.00 -0.81 0.00 0.00 59.98 58.92 2kvu h ARG 55 Cb 1.20 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 2kvu h ARG 55 CO 0.05 0.86 0.14 -0.07 -1.51 0.00 0.00 179.97 179.44 2kvu h LEU 56 N 0.91 0.59 0.02 3.80 3.38 -1.13 -1.29 115.31 121.59 2kvu h LEU 56 Ca 0.19 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2kvu h LEU 56 Cb 0.35 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2kvu h LEU 56 CO 0.00 0.62 -0.05 0.03 0.09 0.00 0.00 178.44 179.14 2kvu h ARG 57 N 0.52 -0.10 -0.60 1.13 3.08 -1.08 -0.76 114.38 116.57 2kvu h ARG 57 Ca 0.13 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 2kvu h ARG 57 Cb 0.24 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 2kvu h ARG 57 CO -0.01 -0.06 0.33 0.00 -1.07 0.00 0.00 179.97 179.15 2kvu h ALA 58 N 0.87 1.44 -0.30 0.04 0.00 -0.70 0.34 119.26 120.96 2kvu h ALA 58 Ca 0.01 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 2kvu h ALA 58 Cb 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2kvu h ALA 58 CO -0.03 0.46 -0.21 -0.92 0.00 0.00 0.00 179.25 178.54 2kvu h TYR 59 N 0.84 0.78 -0.01 0.00 3.20 -0.85 -2.95 116.97 117.97 2kvu h TYR 59 Ca 0.21 -0.22 -0.16 0.00 3.14 0.00 0.00 58.73 61.71 2kvu h TYR 59 Cb 0.03 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 2kvu h TYR 59 CO 0.01 0.93 -0.72 0.37 -1.64 0.00 0.00 178.16 177.10 2kvu h GLN 60 N 0.41 0.07 -0.26 1.82 -0.00 -0.74 -3.06 115.11 113.35 2kvu h GLN 60 Ca 0.06 -0.06 0.02 0.00 -0.00 0.00 0.00 58.65 58.67 2kvu h GLN 60 Cb 0.76 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.24 2kvu h GLN 60 CO 0.06 0.76 0.17 0.22 0.00 0.00 0.00 178.83 180.04 2kvu h ASP 61 N 0.05 0.22 -0.65 -0.69 3.58 -0.23 -0.12 116.42 118.57 2kvu h ASP 61 Ca -0.01 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2kvu h ASP 61 Cb 1.28 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.28 2kvu h ASP 61 CO 0.10 0.15 0.00 0.00 -2.88 0.00 0.00 179.24 176.61 2kvu n GLN 62 N -4.50 2.58 -0.09 0.28 10.64 -1.13 -4.17 117.38 121.00 2kvu n GLN 62 Ca 0.02 -2.45 -0.08 0.00 -1.83 0.00 0.00 57.00 52.66 2kvu n GLN 62 Cb 0.15 -1.53 -0.03 0.00 -0.86 0.00 0.00 30.24 27.97 2kvu n GLN 62 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.06 174.34 2kvu n ILE 63 N 1.51 1.48 -3.39 -0.39 5.41 -0.08 -4.96 119.36 118.94 2kvu n ILE 63 Ca 0.23 0.16 -0.19 0.00 1.00 0.00 0.00 62.75 63.95 2kvu n ILE 63 Cb 0.58 -2.36 -0.09 0.00 -0.71 0.00 0.00 39.64 37.07 2kvu n ILE 63 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2kvu s SER 64 N -5.86 1.59 -0.09 4.38 0.01 -1.05 -4.98 113.70 107.70 2kvu s SER 64 Ca -0.26 -1.34 0.06 0.00 1.31 0.00 0.00 55.95 55.73 2kvu s SER 64 Cb 0.04 0.42 0.35 0.00 0.21 0.00 0.00 66.02 67.04 2kvu s SER 64 CO 0.38 -0.32 1.06 -0.81 0.41 0.00 0.00 173.24 173.96 2kvu n PRO 65 N 4.63 2.61 -4.24 12.44 -0.05 -1.26 -4.89 135.00 144.25 2kvu n PRO 65 Ca 0.06 -1.35 -0.17 0.00 -0.05 0.00 0.00 63.50 61.99 2kvu n PRO 65 Cb 0.45 -1.78 -0.11 0.00 -0.05 0.00 0.00 33.50 32.01 2kvu n PRO 65 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 175.50 175.59 2kvu s VAL 66 N -1.75 1.30 -0.71 0.52 -7.23 -1.26 -5.05 120.40 106.23 2kvu s VAL 66 Ca 0.23 -1.78 0.26 0.00 -1.81 0.00 0.00 61.98 58.88 2kvu s VAL 66 Cb 0.17 -1.58 0.29 0.00 0.56 0.00 0.00 36.38 35.82 2kvu s VAL 66 CO 0.08 -0.48 1.77 -0.65 -0.31 0.00 0.00 175.10 175.50 2kvu h PRO 67 N 3.38 0.00 0.00 4.82 0.11 -2.06 -3.39 132.00 134.87 2kvu h PRO 67 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2kvu h PRO 67 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2kvu h PRO 67 CO 0.53 0.00 -0.34 0.41 -0.21 0.00 0.00 178.00 178.39 2kvu n GLY 68 N 1.26 -0.36 0.89 -0.55 0.00 -1.26 -5.11 105.19 100.06 2kvu n GLY 68 Ca 0.05 -0.11 0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.29 -1.73 -1.78 4.61 0.00 -1.26 -4.74 120.51 112.33 2kvu n ALA 69 Ca -0.05 0.40 -0.42 0.00 0.00 0.00 0.00 53.44 53.37 2kvu n ALA 69 Cb 0.17 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 2kvu n ALA 69 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2kvu s PRO 70 N -4.39 4.03 -1.24 0.00 0.04 -1.26 -4.88 135.00 127.30 2kvu s PRO 70 Ca 0.00 2.38 -0.20 0.00 0.04 0.00 0.00 61.00 63.22 2kvu s PRO 70 Cb 0.00 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.42 2kvu s PRO 70 CO 0.00 -1.06 1.81 0.21 0.04 0.00 0.00 177.00 178.00 2kvu s LYS 71 N 4.54 3.36 -0.20 4.56 2.47 -1.26 -4.86 119.74 128.35 2kvu s LYS 71 Ca 0.84 -1.62 0.01 0.00 -1.56 0.00 0.00 55.97 53.64 2kvu s LYS 71 Cb -0.38 -5.41 0.04 0.00 -1.46 0.00 0.00 37.83 30.62 2kvu s LYS 71 CO 0.37 -2.96 -0.09 0.00 0.16 0.00 0.00 175.35 172.82 2kvu s ALA 72 N 7.05 1.93 0.16 3.13 0.00 -1.26 -5.11 121.76 127.66 2kvu s ALA 72 Ca 0.60 -1.17 -0.32 0.00 0.00 0.00 0.00 51.96 51.07 2kvu s ALA 72 Cb 0.02 -1.27 -0.12 0.00 0.00 0.00 0.00 23.12 21.75 2kvu s ALA 72 CO 0.09 -0.84 1.73 -2.30 0.00 0.00 0.00 175.76 174.44 2kvu n PRO 73 N 4.71 2.61 -4.12 0.00 -0.02 -1.26 -4.99 135.00 131.93 2kvu n PRO 73 Ca -0.14 0.94 -0.30 0.00 -2.02 0.00 0.00 63.50 61.98 2kvu n PRO 73 Cb 0.46 -2.79 -0.08 0.00 -0.02 0.00 0.00 33.50 31.08 2kvu n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kvu s ALA 74 N 1.61 3.38 -2.00 3.55 0.00 -1.26 -5.30 121.76 121.74 2kvu s ALA 74 Ca 0.78 -1.07 0.22 0.00 0.00 0.00 0.00 51.96 51.89 2kvu s ALA 74 Cb -0.55 -1.28 1.29 0.00 0.00 0.00 0.00 23.12 22.57 2kvu s ALA 74 CO 0.36 0.71 1.66 0.00 0.00 0.00 0.00 175.76 178.49