#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 0.96 3.18 3.03 0.00 -1.26 -4.94 105.19 106.16 2kvu n GLY 2 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 0.74 1.04 0.26 1.61 3.76 -1.26 -5.13 115.29 116.31 2kvu s HIS 3 Ca 0.00 -1.30 -0.30 0.00 -0.15 0.00 0.00 55.06 53.31 2kvu s HIS 3 Cb 0.00 -0.54 -0.11 0.00 1.11 0.00 0.00 32.58 33.04 2kvu s HIS 3 CO 0.00 -0.56 1.59 -3.38 -0.85 0.00 0.00 174.74 171.54 2kvu s HIS 4 N -4.08 2.84 0.69 1.40 0.00 -1.26 -4.99 115.29 109.89 2kvu s HIS 4 Ca 0.32 0.73 -0.09 0.00 -3.00 0.00 0.00 55.06 53.01 2kvu s HIS 4 Cb 0.07 -4.03 0.03 0.00 -4.00 0.00 0.00 32.58 24.65 2kvu s HIS 4 CO 0.07 -3.57 1.04 -3.38 -1.00 0.00 0.00 174.74 167.90 2kvu s HIS 5 N 0.30 3.17 0.40 0.38 -0.00 -1.26 -5.05 115.29 113.23 2kvu s HIS 5 Ca 0.65 0.77 -0.24 0.00 -0.00 0.00 0.00 55.06 56.25 2kvu s HIS 5 Cb -0.47 -3.07 -0.09 0.00 -0.00 0.00 0.00 32.58 28.95 2kvu s HIS 5 CO 0.43 -1.22 1.05 -1.01 -0.00 0.00 0.00 174.74 173.98 2kvu s HIS 6 N -3.27 3.25 -0.17 0.38 3.76 -1.26 -5.03 115.29 112.96 2kvu s HIS 6 Ca 0.58 1.64 -0.08 0.00 -0.15 0.00 0.00 55.06 57.04 2kvu s HIS 6 Cb -0.11 -3.12 -0.05 0.00 1.11 0.00 0.00 32.58 30.42 2kvu s HIS 6 CO 0.48 -0.62 0.12 -3.38 -0.85 0.00 0.00 174.74 170.49 2kvu s HIS 7 N -1.69 3.45 0.36 1.40 -3.43 -1.26 -5.09 115.29 109.04 2kvu s HIS 7 Ca 0.58 0.37 0.04 0.00 -0.80 0.00 0.00 55.06 55.25 2kvu s HIS 7 Cb -0.21 -2.06 -0.01 0.00 -1.43 0.00 0.00 32.58 28.86 2kvu s HIS 7 CO 0.27 0.44 0.13 -2.39 -2.00 0.00 0.00 174.74 171.19 2kvu n HIS 8 N 2.95 0.09 -1.65 0.38 1.44 -1.26 -5.09 115.22 112.08 2kvu n HIS 8 Ca -0.18 -2.32 -0.44 0.00 -2.01 0.00 0.00 57.72 52.78 2kvu n HIS 8 Cb 0.53 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.61 2kvu n HIS 8 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2kvu n SER 9 N -1.60 3.81 -3.72 4.39 7.64 -1.26 -4.96 113.62 117.93 2kvu n SER 9 Ca -0.05 0.77 -0.14 0.00 1.01 0.00 0.00 58.87 60.47 2kvu n SER 9 Cb 0.54 -1.50 -0.09 0.00 -1.01 0.00 0.00 64.21 62.15 2kvu n SER 9 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2kvu s HIS 10 N 5.22 -0.40 0.74 1.43 -0.00 -1.26 -5.18 115.29 115.84 2kvu s HIS 10 Ca 0.93 0.90 -0.01 0.00 -0.00 0.00 0.00 55.06 56.88 2kvu s HIS 10 Cb -0.48 0.16 0.13 0.00 -0.00 0.00 0.00 32.58 32.40 2kvu s HIS 10 CO 0.43 -0.29 1.01 -1.64 -0.00 0.00 0.00 174.74 174.25 2kvu s MET 11 N -0.26 1.60 0.34 -0.38 -1.94 -1.26 -5.04 119.30 112.36 2kvu s MET 11 Ca -0.04 -1.13 -0.29 0.00 -1.71 0.00 0.00 55.69 52.52 2kvu s MET 11 Cb -0.03 -2.31 -0.11 0.00 2.01 0.00 0.00 34.83 34.39 2kvu s MET 11 CO 0.02 -1.51 1.41 -1.12 -0.01 0.00 0.00 175.02 173.81 2kvu s SER 12 N -4.76 6.56 -0.37 3.03 0.01 -1.26 -4.99 113.70 111.93 2kvu s SER 12 Ca 0.67 2.85 -0.15 0.00 1.31 0.00 0.00 55.95 60.63 2kvu s SER 12 Cb -0.05 -2.65 -0.00 0.00 0.21 0.00 0.00 66.02 63.53 2kvu s SER 12 CO 0.45 -0.71 0.34 -0.89 0.41 0.00 0.00 173.24 172.84 2kvu s THR 13 N -0.97 5.19 -0.94 1.44 2.01 -1.26 -5.02 115.64 116.09 2kvu s THR 13 Ca 0.52 -0.21 -0.24 0.00 0.31 0.00 0.00 61.69 62.08 2kvu s THR 13 Cb -0.43 -3.86 0.02 0.00 0.01 0.00 0.00 72.50 68.24 2kvu s THR 13 CO 0.56 -0.17 1.58 -2.84 -0.69 0.00 0.00 174.62 173.06 2kvu s PRO 14 N 1.92 3.23 0.36 4.92 0.02 -1.26 -4.98 135.00 139.20 2kvu s PRO 14 Ca 0.09 -0.73 -0.25 0.00 0.02 0.00 0.00 61.00 60.13 2kvu s PRO 14 Cb -0.17 -5.12 -0.10 0.00 0.02 0.00 0.00 34.50 29.13 2kvu s PRO 14 CO 0.11 -2.54 0.97 -0.48 -0.33 0.00 0.00 177.00 174.73 2kvu s LEU 15 N 6.60 4.23 0.38 -5.54 0.05 -1.26 -4.96 118.68 118.18 2kvu s LEU 15 Ca 0.52 1.85 0.23 0.00 0.05 0.00 0.00 54.13 56.78 2kvu s LEU 15 Cb -0.03 -4.14 0.25 0.00 -2.05 0.00 0.00 46.19 40.22 2kvu s LEU 15 CO -0.04 -0.20 1.47 0.71 -0.55 0.00 0.00 176.35 177.75 2kvu h THR 16 N 2.41 0.04 0.00 5.48 1.35 -1.94 -3.48 112.91 116.76 2kvu h THR 16 Ca -0.47 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 64.33 2kvu h THR 16 Cb 1.19 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 69.52 2kvu h THR 16 CO 0.64 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 176.54 2kvu n GLY 17 N 1.13 1.87 3.44 5.82 0.00 -1.26 -4.75 105.19 111.44 2kvu n GLY 17 Ca 0.03 -0.22 -0.44 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 3.02 0.28 1.61 -0.14 -1.26 -5.06 119.74 118.19 2kvu s LYS 18 Ca 0.00 -1.06 -0.26 0.00 -1.36 0.00 0.00 55.97 53.29 2kvu s LYS 18 Cb 0.00 -4.05 -0.09 0.00 -1.68 0.00 0.00 37.83 32.01 2kvu s LYS 18 CO 0.00 -0.94 0.91 -2.14 -0.76 0.00 0.00 175.35 172.42 2kvu s PRO 19 N 1.90 4.59 -0.14 -1.68 0.02 -1.26 -5.00 135.00 133.44 2kvu s PRO 19 Ca 0.08 1.29 -0.06 0.00 0.02 0.00 0.00 61.00 62.33 2kvu s PRO 19 Cb -0.20 -2.93 -0.06 0.00 0.02 0.00 0.00 34.50 31.32 2kvu s PRO 19 CO 0.10 0.36 -0.17 0.41 -0.33 0.00 0.00 177.00 177.36 2kvu n GLY 20 N 0.82 -0.22 3.54 0.52 0.00 -1.26 -5.08 105.19 103.52 2kvu n GLY 20 Ca 0.00 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.26 -0.01 0.13 4.61 0.00 -1.26 -5.00 121.76 117.97 2kvu s ALA 21 Ca -0.19 -1.02 0.09 0.00 0.00 0.00 0.00 51.96 50.84 2kvu s ALA 21 Cb 0.07 1.11 -0.04 0.00 0.00 0.00 0.00 23.12 24.26 2kvu s ALA 21 CO 0.25 -0.82 -0.21 -0.51 0.00 0.00 0.00 175.76 174.47 2kvu s LEU 22 N -3.05 2.35 0.15 0.00 1.43 -1.26 -5.11 118.68 113.19 2kvu s LEU 22 Ca 0.25 -0.76 -0.31 0.00 -1.03 0.00 0.00 54.13 52.27 2kvu s LEU 22 Cb 0.00 -0.95 -0.11 0.00 0.03 0.00 0.00 46.19 45.16 2kvu s LEU 22 CO 0.10 0.06 1.79 -2.16 0.23 0.00 0.00 176.35 176.38 2kvu s PRO 23 N -2.25 4.14 0.20 1.29 0.04 -1.26 -4.91 135.00 132.25 2kvu s PRO 23 Ca 0.12 2.59 -0.11 0.00 0.04 0.00 0.00 61.00 63.64 2kvu s PRO 23 Cb -0.09 -3.45 0.22 0.00 0.04 0.00 0.00 34.50 31.23 2kvu s PRO 23 CO 0.06 -0.81 1.76 0.00 0.04 0.00 0.00 177.00 178.04 2kvu h ALA 24 N 8.07 0.73 -0.54 8.56 0.00 -2.06 -3.16 119.26 130.86 2kvu h ALA 24 Ca -0.45 0.06 -0.73 0.00 0.00 0.00 0.00 54.91 53.79 2kvu h ALA 24 Cb 1.21 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.91 2kvu h ALA 24 CO 0.95 -0.16 2.55 0.09 0.00 0.00 0.00 179.25 182.68 2kvu n ASN 25 N -4.96 5.55 0.28 0.00 4.13 -1.26 -4.58 115.26 114.43 2kvu n ASN 25 Ca 0.07 -3.00 0.18 0.00 1.68 0.00 0.00 54.58 53.52 2kvu n ASN 25 Cb 0.22 -1.52 0.77 0.00 -1.54 0.00 0.00 39.78 37.72 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 8.00 0.00 -1.00 3.41 3.38 -1.94 -2.53 115.31 124.63 2kvu h LEU 26 Ca 0.53 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.41 2kvu h LEU 26 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2kvu h LEU 26 CO 1.69 0.00 -0.31 -0.78 0.09 0.00 0.00 178.44 179.13 2kvu h ASP 27 N 0.00 0.34 1.49 -0.43 1.82 -1.91 -2.56 116.42 115.16 2kvu h ASP 27 Ca 0.00 -0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.52 2kvu h ASP 27 Cb 0.42 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.34 2kvu h ASP 27 CO 0.00 0.64 -0.09 0.44 -1.61 0.00 0.00 179.24 178.63 2kvu h ASP 28 N 0.29 0.00 -3.99 2.28 5.19 -1.84 -3.46 116.42 114.90 2kvu h ASP 28 Ca 0.04 -0.02 -0.49 0.00 -0.62 0.00 0.00 57.03 55.94 2kvu h ASP 28 Cb 0.70 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.25 2kvu h ASP 28 CO 0.05 0.01 0.43 -0.04 -3.12 0.00 0.00 179.24 176.58 2kvu s MET 29 N -3.13 3.99 0.77 3.56 -1.94 -0.97 -5.01 119.30 116.57 2kvu s MET 29 Ca 0.09 1.59 -0.12 0.00 -1.71 0.00 0.00 55.69 55.54 2kvu s MET 29 Cb 0.11 -2.45 0.06 0.00 2.01 0.00 0.00 34.83 34.56 2kvu s MET 29 CO 0.63 -0.31 1.13 0.15 -0.01 0.00 0.00 175.02 176.61 2kvu s LYS 30 N -2.63 2.09 0.09 2.03 1.02 -1.26 -4.84 119.74 116.23 2kvu s LYS 30 Ca 0.61 1.42 -0.19 0.00 0.02 0.00 0.00 55.97 57.82 2kvu s LYS 30 Cb -0.24 -1.86 -0.08 0.00 -0.52 0.00 0.00 37.83 35.13 2kvu s LYS 30 CO 0.29 -1.81 1.60 0.28 -0.92 0.00 0.00 175.35 174.80 2kvu h VAL 31 N -0.87 1.19 -0.07 3.17 2.07 -1.95 -0.29 116.25 119.50 2kvu h VAL 31 Ca -0.45 -0.62 -0.07 0.00 0.82 0.00 0.00 66.70 66.39 2kvu h VAL 31 Cb 1.25 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 2kvu h VAL 31 CO 0.49 0.20 -0.27 0.00 0.02 0.00 0.00 177.57 178.01 2kvu h ALA 32 N 0.89 1.41 -0.08 1.67 0.00 -1.99 -2.29 119.26 118.87 2kvu h ALA 32 Ca 0.07 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 2kvu h ALA 32 Cb 0.24 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2kvu h ALA 32 CO -0.00 0.42 -0.68 0.93 0.00 0.00 0.00 179.25 179.92 2kvu h GLU 33 N 0.12 0.36 -0.77 0.00 4.39 -1.82 -0.94 114.58 115.92 2kvu h GLU 33 Ca 0.02 -0.28 -0.03 0.00 0.34 0.00 0.00 59.36 59.42 2kvu h GLU 33 Cb 0.55 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.22 2kvu h GLU 33 CO 0.04 0.91 0.38 -0.07 -1.16 0.00 0.00 179.01 179.11 2kvu h LEU 34 N 0.25 1.00 -1.21 1.33 3.38 -0.72 -2.00 115.31 117.34 2kvu h LEU 34 Ca -0.02 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2kvu h LEU 34 Cb 1.23 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 2kvu h LEU 34 CO 0.11 0.84 0.11 0.11 0.09 0.00 0.00 178.44 179.71 2kvu h LYS 35 N 1.08 0.66 -0.32 1.13 1.57 -1.04 -1.00 116.57 118.65 2kvu h LYS 35 Ca 0.27 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2kvu h LYS 35 Cb 0.10 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 2kvu h LYS 35 CO -0.04 0.60 0.19 1.96 -0.57 0.00 0.00 179.45 181.59 2kvu h GLN 36 N 0.64 0.44 0.00 3.15 1.08 -0.58 0.16 115.11 120.00 2kvu h GLN 36 Ca 0.15 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.28 2kvu h GLN 36 Cb 0.24 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.57 2kvu h GLN 36 CO -0.00 0.34 -0.14 0.93 -0.95 0.00 0.00 178.83 179.01 2kvu h GLU 37 N 0.41 0.00 0.05 1.46 4.39 -0.95 -2.54 114.58 117.41 2kvu h GLU 37 Ca 0.12 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 2kvu h GLU 37 Cb 0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2kvu h GLU 37 CO -0.02 0.14 -0.03 -0.07 -1.16 0.00 0.00 179.01 177.87 2kvu h LEU 38 N 0.00 -0.06 -2.07 1.33 3.38 -0.58 -3.30 115.31 114.00 2kvu h LEU 38 Ca -0.00 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.42 2kvu h LEU 38 Cb 0.61 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 2kvu h LEU 38 CO 0.02 0.65 -0.08 0.07 0.09 0.00 0.00 178.44 179.18 2kvu h LYS 39 N -0.93 0.00 0.00 1.13 2.10 -0.63 0.18 116.57 118.41 2kvu h LYS 39 Ca -0.01 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.58 2kvu h LYS 39 Cb 0.59 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.91 2kvu h LYS 39 CO 0.01 0.08 -0.30 -0.07 -2.00 0.00 0.00 179.45 177.18 2kvu h LEU 40 N 0.00 0.00 -3.16 7.07 3.38 -1.59 -3.23 115.31 117.78 2kvu h LEU 40 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2kvu h LEU 40 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2kvu h LEU 40 CO 0.01 0.30 -0.04 0.54 0.09 0.00 0.00 178.44 179.34 2kvu n ARG 41 N -3.31 2.09 -2.55 1.13 1.74 -0.12 -4.58 116.66 111.06 2kvu n ARG 41 Ca 0.01 -2.81 -0.18 0.00 -0.77 0.00 0.00 57.85 54.11 2kvu n ARG 41 Cb 0.54 -1.70 0.01 0.00 -1.02 0.00 0.00 32.46 30.29 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 -0.97 -5.16 -4.88 0.55 7.64 -0.85 -5.00 113.62 104.95 2kvu n SER 42 Ca 0.20 -0.11 -0.37 0.00 1.01 0.00 0.00 58.87 59.61 2kvu n SER 42 Cb 0.80 -4.15 -0.06 0.00 -1.01 0.00 0.00 64.21 59.79 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 -5.19 4.37 0.11 -3.43 1.43 0.43 -5.00 118.68 111.40 2kvu s LEU 43 Ca 0.10 0.45 -0.31 0.00 -1.03 0.00 0.00 54.13 53.34 2kvu s LEU 43 Cb -0.04 -2.13 -0.09 0.00 0.03 0.00 0.00 46.19 43.96 2kvu s LEU 43 CO 0.12 0.39 1.59 -2.16 0.23 0.00 0.00 176.35 176.53 2kvu s PRO 44 N -1.13 4.22 0.00 1.29 0.04 -1.26 -3.87 135.00 134.28 2kvu s PRO 44 Ca 0.16 2.32 0.20 0.00 0.04 0.00 0.00 61.00 63.72 2kvu s PRO 44 Cb -0.12 -3.38 0.53 0.00 0.04 0.00 0.00 34.50 31.57 2kvu s PRO 44 CO 0.06 -0.65 1.44 1.33 0.04 0.00 0.00 177.00 179.21 2kvu n VAL 45 N 4.34 0.62 -2.98 -0.36 0.24 -1.26 -4.83 118.33 114.11 2kvu n VAL 45 Ca 0.15 -0.71 -0.44 0.00 -2.04 0.00 0.00 64.34 61.30 2kvu n VAL 45 Cb 0.40 0.54 -0.04 0.00 -1.47 0.00 0.00 33.84 33.26 2kvu n VAL 45 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2kvu s SER 46 N -1.21 6.19 0.00 -1.34 1.04 -1.26 -4.92 113.70 112.20 2kvu s SER 46 Ca 0.38 -1.23 0.00 0.00 0.48 0.00 0.00 55.95 55.58 2kvu s SER 46 Cb 0.20 -2.36 0.00 0.00 0.10 0.00 0.00 66.02 63.96 2kvu s SER 46 CO 0.28 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.83 2kvu n GLY 47 N 5.31 -1.68 3.87 7.32 0.00 -1.26 -5.02 105.19 113.72 2kvu n GLY 47 Ca -0.06 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.55 2.27 0.31 2.61 -4.23 -1.26 -4.83 115.64 107.96 2kvu s THR 48 Ca 0.00 0.09 0.01 0.00 -1.18 0.00 0.00 61.69 60.61 2kvu s THR 48 Cb 0.00 -3.02 0.28 0.00 1.34 0.00 0.00 72.50 71.09 2kvu s THR 48 CO 0.00 -0.11 1.94 0.50 -0.54 0.00 0.00 174.62 176.40 2kvu h LYS 49 N -1.09 0.97 -0.28 3.99 3.64 -1.99 -0.02 116.57 121.80 2kvu h LYS 49 Ca -0.47 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 58.88 2kvu h LYS 49 Cb 1.32 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 2kvu h LYS 49 CO 0.65 0.64 0.12 1.15 -2.27 0.00 0.00 179.45 179.74 2kvu h THR 50 N 1.00 0.96 -0.54 1.00 2.02 -2.00 -1.45 112.91 113.90 2kvu h THR 50 Ca 0.35 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 67.37 2kvu h THR 50 Cb 0.12 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 2kvu h THR 50 CO -0.11 0.05 0.06 -0.33 0.37 0.00 0.00 175.52 175.55 2kvu h GLU 51 N 0.26 0.88 -0.36 6.66 4.39 -1.62 -1.15 114.58 123.64 2kvu h GLU 51 Ca 0.12 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 2kvu h GLU 51 Cb 0.06 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 2kvu h GLU 51 CO -0.10 0.84 0.21 -0.07 -1.16 0.00 0.00 179.01 178.73 2kvu h LEU 52 N 0.83 0.45 0.28 1.33 3.38 -0.64 0.15 115.31 121.08 2kvu h LEU 52 Ca 0.17 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2kvu h LEU 52 Cb 0.41 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2kvu h LEU 52 CO 0.01 0.39 -0.13 0.40 0.09 0.00 0.00 178.44 179.20 2kvu h ILE 53 N 0.46 0.76 0.00 1.22 2.04 -1.01 -2.48 117.51 118.50 2kvu h ILE 53 Ca 0.13 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 2kvu h ILE 53 Cb 0.04 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2kvu h ILE 53 CO -0.02 0.05 -0.16 -0.33 0.00 0.00 0.00 178.15 177.68 2kvu h GLU 54 N -0.49 0.00 -0.05 2.37 4.39 -1.11 -1.57 114.58 118.11 2kvu h GLU 54 Ca -0.04 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 2kvu h GLU 54 Cb 0.37 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2kvu h GLU 54 CO 0.06 0.16 0.00 -0.09 -1.16 0.00 0.00 179.01 177.99 2kvu h ARG 55 N 0.00 0.09 -0.43 2.33 9.65 -0.52 -1.25 114.38 124.26 2kvu h ARG 55 Ca -0.00 -0.03 0.01 0.00 -1.10 0.00 0.00 59.98 58.86 2kvu h ARG 55 Cb 0.36 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.91 2kvu h ARG 55 CO 0.02 0.35 0.28 -0.07 2.80 0.00 0.00 179.97 183.35 2kvu h LEU 56 N -0.17 0.47 -0.30 3.80 3.38 -0.96 -1.69 115.31 119.83 2kvu h LEU 56 Ca 0.02 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.02 2kvu h LEU 56 Cb 0.30 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2kvu h LEU 56 CO 0.00 0.34 0.08 0.03 0.09 0.00 0.00 178.44 178.98 2kvu h ARG 57 N 0.57 0.19 0.00 1.13 3.08 -1.21 -1.15 114.38 116.99 2kvu h ARG 57 Ca 0.16 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.14 2kvu h ARG 57 Cb -0.05 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 2kvu h ARG 57 CO -0.05 0.12 -0.29 0.00 -1.07 0.00 0.00 179.97 178.68 2kvu h ALA 58 N 1.21 1.30 0.08 0.04 0.00 -1.02 0.21 119.26 121.08 2kvu h ALA 58 Ca 0.14 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2kvu h ALA 58 Cb 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2kvu h ALA 58 CO -0.17 0.37 -0.04 -0.92 0.00 0.00 0.00 179.25 178.49 2kvu h TYR 59 N 0.00 -0.10 -0.20 0.00 3.20 -0.56 -2.90 116.97 116.41 2kvu h TYR 59 Ca -0.00 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 2kvu h TYR 59 Cb 0.60 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 2kvu h TYR 59 CO 0.00 0.44 -0.17 0.37 -1.64 0.00 0.00 178.16 177.16 2kvu h GLN 60 N -0.73 0.34 -1.00 1.82 -0.00 -1.14 -2.38 115.11 112.03 2kvu h GLN 60 Ca -0.01 -0.10 0.05 0.00 -0.00 0.00 0.00 58.65 58.59 2kvu h GLN 60 Cb 0.58 -0.04 -0.06 0.00 0.00 0.00 0.00 27.48 27.96 2kvu h GLN 60 CO 0.02 0.51 0.65 0.22 0.00 0.00 0.00 178.83 180.23 2kvu h ASP 61 N 0.32 1.06 0.14 -0.69 3.58 -0.97 -0.96 116.42 118.90 2kvu h ASP 61 Ca 0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2kvu h ASP 61 Cb 0.49 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.31 2kvu h ASP 61 CO 0.03 0.70 -0.16 0.00 -2.88 0.00 0.00 179.24 176.93 2kvu n GLN 62 N -4.48 1.15 0.14 0.28 10.64 -1.01 -2.89 117.38 121.21 2kvu n GLN 62 Ca 0.14 -0.68 0.02 0.00 -1.83 0.00 0.00 57.00 54.66 2kvu n GLN 62 Cb 0.14 -1.49 0.06 0.00 -0.86 0.00 0.00 30.24 28.09 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 1.66 0.95 -3.80 -0.39 2.04 -0.69 -3.45 117.51 113.83 2kvu h ILE 63 Ca 0.00 -2.24 -0.48 0.00 1.00 0.00 0.00 64.86 63.14 2kvu h ILE 63 Cb 0.51 2.39 -0.02 0.00 -0.74 0.00 0.00 36.82 38.96 2kvu h ILE 63 CO 0.00 0.52 0.20 -0.44 0.00 0.00 0.00 178.15 178.44 2kvu s SER 64 N -6.48 6.98 -0.21 1.72 0.01 -0.94 -4.96 113.70 109.82 2kvu s SER 64 Ca 0.03 1.51 -0.34 0.00 1.31 0.00 0.00 55.95 58.46 2kvu s SER 64 Cb 0.08 -2.46 -0.11 0.00 0.21 0.00 0.00 66.02 63.74 2kvu s SER 64 CO 0.74 -0.16 2.02 -0.81 0.41 0.00 0.00 173.24 175.44 2kvu n PRO 65 N -0.01 1.72 -4.01 12.44 -0.04 -1.26 -4.96 135.00 138.87 2kvu n PRO 65 Ca 0.03 0.57 -0.33 0.00 -0.04 0.00 0.00 63.50 63.72 2kvu n PRO 65 Cb 0.52 -2.64 -0.15 0.00 -0.04 0.00 0.00 33.50 31.20 2kvu n PRO 65 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2kvu s VAL 66 N 5.72 2.48 0.02 0.52 -7.23 -1.26 -5.03 120.40 115.61 2kvu s VAL 66 Ca 1.00 -1.49 -0.27 0.00 -1.81 0.00 0.00 61.98 59.41 2kvu s VAL 66 Cb -0.72 -2.42 -0.15 0.00 0.56 0.00 0.00 36.38 33.66 2kvu s VAL 66 CO 0.50 -0.02 1.17 -0.65 -0.31 0.00 0.00 175.10 175.79 2kvu h PRO 67 N 7.87 -0.93 -2.86 4.82 0.11 -2.02 -3.43 132.00 135.56 2kvu h PRO 67 Ca -0.22 0.06 -0.51 0.00 0.11 0.00 0.00 66.00 65.45 2kvu h PRO 67 Cb 1.06 0.21 -0.40 0.00 0.11 0.00 0.00 31.00 31.97 2kvu h PRO 67 CO 0.50 -0.62 -0.77 0.20 -0.21 0.00 0.00 178.00 177.10 2kvu s GLY 68 N -2.25 0.44 -0.06 -0.55 0.00 -1.26 -5.12 107.32 98.52 2kvu s GLY 68 Ca -0.14 -0.84 -0.07 0.00 0.00 0.00 0.00 44.72 43.67 2kvu s GLY 68 CO 0.42 1.98 0.18 0.00 0.00 0.00 0.00 173.10 175.68 2kvu s ALA 69 N 2.12 -0.44 -0.95 3.20 0.00 -1.26 -5.09 121.76 119.33 2kvu s ALA 69 Ca 0.07 0.41 -0.24 0.00 0.00 0.00 0.00 51.96 52.20 2kvu s ALA 69 Cb -0.16 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 2kvu s ALA 69 CO -0.29 -0.11 1.87 -1.25 0.00 0.00 0.00 175.76 175.98 2kvu s PRO 70 N -0.17 2.72 -0.36 0.00 0.04 -1.26 -4.76 135.00 131.22 2kvu s PRO 70 Ca -0.03 -0.53 0.06 0.00 0.04 0.00 0.00 61.00 60.55 2kvu s PRO 70 Cb -0.02 -5.13 0.53 0.00 0.04 0.00 0.00 34.50 29.91 2kvu s PRO 70 CO 0.01 -3.25 1.59 1.17 0.04 0.00 0.00 177.00 176.55 2kvu n LYS 71 N 8.79 2.15 -1.68 4.56 4.81 -1.26 -5.02 118.16 130.52 2kvu n LYS 71 Ca 0.40 -3.26 -0.45 0.00 -0.87 0.00 0.00 58.31 54.13 2kvu n LYS 71 Cb 0.47 -1.98 -0.04 0.00 0.02 0.00 0.00 35.03 33.51 2kvu n LYS 71 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kvu n ALA 72 N -1.08 1.62 -2.15 3.14 0.00 -1.26 -4.86 120.51 115.93 2kvu n ALA 72 Ca 0.43 0.34 -0.33 0.00 0.00 0.00 0.00 53.44 53.87 2kvu n ALA 72 Cb 1.13 -2.51 -0.04 0.00 0.00 0.00 0.00 19.45 18.02 2kvu n ALA 72 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2kvu n PRO 73 N 5.39 2.04 -0.11 0.00 -0.02 -1.26 -4.71 135.00 136.33 2kvu n PRO 73 Ca 0.19 -2.65 0.03 0.00 -2.02 0.00 0.00 63.50 59.05 2kvu n PRO 73 Cb 0.33 -3.62 0.09 0.00 -0.02 0.00 0.00 33.50 30.28 2kvu n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kvu n ALA 74 N 12.33 2.49 0.11 3.55 0.00 -1.26 -4.60 120.51 133.12 2kvu n ALA 74 Ca 0.46 -0.38 0.01 0.00 0.00 0.00 0.00 53.44 53.54 2kvu n ALA 74 Cb 0.46 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 18.93 2kvu n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50