#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvu s GLY 2 N 0.00 -0.31 0.00 3.03 0.00 -1.26 -4.97 107.32 103.80 2kvu s GLY 2 Ca 0.00 2.87 0.22 0.00 0.00 0.00 0.00 44.72 47.81 2kvu s GLY 2 CO 0.00 3.31 1.09 1.57 0.00 0.00 0.00 173.10 179.07 2kvu n HIS 3 N 5.12 0.00 -1.67 1.90 -0.00 -1.26 -4.99 115.22 114.32 2kvu n HIS 3 Ca -0.08 0.00 -0.44 0.00 0.46 0.00 0.00 57.72 57.65 2kvu n HIS 3 Cb 0.52 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.37 2kvu n HIS 3 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2kvu n HIS 4 N 0.18 2.09 -3.67 1.57 1.44 -1.26 -5.00 115.22 110.56 2kvu n HIS 4 Ca 0.10 0.50 -0.09 0.00 -2.01 0.00 0.00 57.72 56.22 2kvu n HIS 4 Cb 0.48 -2.42 -0.10 0.00 0.12 0.00 0.00 29.99 28.07 2kvu n HIS 4 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2kvu s HIS 5 N -0.47 -0.74 -0.22 -1.40 -0.00 -1.26 -5.13 115.29 106.07 2kvu s HIS 5 Ca 0.64 1.48 -0.21 0.00 -0.00 0.00 0.00 55.06 56.96 2kvu s HIS 5 Cb -0.64 0.32 -0.02 0.00 -0.00 0.00 0.00 32.58 32.24 2kvu s HIS 5 CO 0.55 -0.43 0.65 -1.01 -0.00 0.00 0.00 174.74 174.50 2kvu s HIS 6 N 2.01 3.34 -0.18 0.38 3.76 -1.26 -5.04 115.29 118.29 2kvu s HIS 6 Ca -0.06 0.91 -0.10 0.00 -0.15 0.00 0.00 55.06 55.66 2kvu s HIS 6 Cb -0.10 -2.83 0.06 0.00 1.11 0.00 0.00 32.58 30.82 2kvu s HIS 6 CO -0.13 -0.25 0.44 -1.58 -0.85 0.00 0.00 174.74 172.38 2kvu s HIS 7 N 2.19 -0.67 0.00 1.40 5.04 -1.26 -5.17 115.29 116.83 2kvu s HIS 7 Ca 0.28 1.40 0.00 0.00 -1.54 0.00 0.00 55.06 55.20 2kvu s HIS 7 Cb -0.16 0.31 0.00 0.00 0.04 0.00 0.00 32.58 32.78 2kvu s HIS 7 CO 0.09 -0.37 0.00 -2.39 -2.34 0.00 0.00 174.74 169.73 2kvu n HIS 8 N 4.32 -1.92 -1.67 3.88 1.44 -1.26 -4.90 115.22 115.11 2kvu n HIS 8 Ca -0.22 0.00 -0.44 0.00 -2.01 0.00 0.00 57.72 55.05 2kvu n HIS 8 Cb 0.55 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.63 2kvu n HIS 8 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2kvu n SER 9 N -1.52 3.98 -4.87 4.39 2.88 -1.26 -4.95 113.62 112.27 2kvu n SER 9 Ca 0.00 0.93 -0.30 0.00 -1.33 0.00 0.00 58.87 58.17 2kvu n SER 9 Cb 0.00 -1.49 -0.03 0.00 -0.75 0.00 0.00 64.21 61.94 2kvu n SER 9 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 2kvu s HIS 10 N 4.14 3.48 0.32 0.66 -0.00 -1.26 -5.05 115.29 117.58 2kvu s HIS 10 Ca 0.89 1.10 -0.27 0.00 -0.00 0.00 0.00 55.06 56.78 2kvu s HIS 10 Cb -0.50 -2.50 -0.09 0.00 -0.00 0.00 0.00 32.58 29.49 2kvu s HIS 10 CO 0.44 -0.17 1.01 0.00 -0.00 0.00 0.00 174.74 176.02 2kvu s MET 11 N -3.95 4.53 0.36 -0.38 0.00 -1.26 -5.00 119.30 113.59 2kvu s MET 11 Ca 0.52 1.52 -0.26 0.00 0.00 0.00 0.00 55.69 57.46 2kvu s MET 11 Cb -0.10 -2.90 -0.09 0.00 0.00 0.00 0.00 34.83 31.74 2kvu s MET 11 CO 0.32 0.19 1.14 0.45 0.00 0.00 0.00 175.02 177.13 2kvu s SER 12 N -1.36 6.79 -0.14 -1.18 0.15 -1.26 -5.04 113.70 111.66 2kvu s SER 12 Ca 0.49 2.30 0.00 0.00 0.70 0.00 0.00 55.95 59.45 2kvu s SER 12 Cb -0.24 -2.62 0.03 0.00 -1.71 0.00 0.00 66.02 61.48 2kvu s SER 12 CO 0.30 -0.49 -0.11 -0.89 1.20 0.00 0.00 173.24 173.25 2kvu s THR 13 N -1.36 1.35 -0.24 6.45 2.01 -1.26 -5.09 115.64 117.50 2kvu s THR 13 Ca 0.53 -0.53 -0.28 0.00 0.31 0.00 0.00 61.69 61.72 2kvu s THR 13 Cb -0.30 -1.32 -0.05 0.00 0.01 0.00 0.00 72.50 70.84 2kvu s THR 13 CO 0.39 0.39 2.18 -2.84 -0.69 0.00 0.00 174.62 174.05 2kvu s PRO 14 N 1.57 3.11 -0.76 4.92 0.02 -1.26 -4.92 135.00 137.68 2kvu s PRO 14 Ca 0.04 1.94 -0.19 0.00 0.02 0.00 0.00 61.00 62.81 2kvu s PRO 14 Cb -0.13 -4.36 0.12 0.00 0.02 0.00 0.00 34.50 30.15 2kvu s PRO 14 CO -0.10 -2.13 0.93 -1.17 -0.33 0.00 0.00 177.00 174.20 2kvu s LEU 15 N 8.32 5.20 -0.12 -5.54 0.20 -1.26 -4.96 118.68 120.51 2kvu s LEU 15 Ca 0.98 -1.72 -0.02 0.00 0.69 0.00 0.00 54.13 54.07 2kvu s LEU 15 Cb -0.31 -2.35 0.04 0.00 -0.43 0.00 0.00 46.19 43.13 2kvu s LEU 15 CO 0.35 -1.11 0.01 0.28 -0.29 0.00 0.00 176.35 175.58 2kvu s THR 16 N 2.70 0.51 0.00 3.68 -1.32 -1.26 -5.09 115.64 114.86 2kvu s THR 16 Ca 0.23 -0.18 0.00 0.00 -1.21 0.00 0.00 61.69 60.53 2kvu s THR 16 Cb -0.14 -0.78 0.00 0.00 -1.51 0.00 0.00 72.50 70.08 2kvu s THR 16 CO -0.01 0.10 0.00 0.61 -2.21 0.00 0.00 174.62 173.11 2kvu n GLY 17 N 5.09 -2.38 3.15 6.08 0.00 -1.26 -4.97 105.19 110.89 2kvu n GLY 17 Ca -0.08 -1.73 0.05 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.36 0.40 0.23 1.61 -2.85 -1.26 -4.98 119.74 112.53 2kvu s LYS 18 Ca 0.00 0.49 -0.31 0.00 -1.00 0.00 0.00 55.97 55.14 2kvu s LYS 18 Cb 0.00 0.24 -0.13 0.00 -2.06 0.00 0.00 37.83 35.88 2kvu s LYS 18 CO 0.00 -0.65 1.44 -2.30 0.10 0.00 0.00 175.35 173.94 2kvu n PRO 19 N 5.34 2.10 -0.12 1.78 -0.02 -1.26 -4.93 135.00 137.89 2kvu n PRO 19 Ca 0.04 0.75 -0.25 0.00 -2.02 0.00 0.00 63.50 62.02 2kvu n PRO 19 Cb 0.54 -2.43 -0.08 0.00 -0.02 0.00 0.00 33.50 31.51 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 2.33 -0.37 3.84 -1.23 0.00 -1.26 -4.87 105.19 103.63 2kvu n GLY 20 Ca 0.12 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.42 2.08 -0.07 4.61 0.00 -1.26 -4.68 121.76 120.02 2kvu s ALA 21 Ca -0.32 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 50.93 2kvu s ALA 21 Cb 0.12 -2.94 -0.02 0.00 0.00 0.00 0.00 23.12 20.28 2kvu s ALA 21 CO 0.40 -2.21 -0.16 -0.51 0.00 0.00 0.00 175.76 173.29 2kvu s LEU 22 N -5.92 2.64 0.82 0.00 1.43 -1.26 -5.07 118.68 111.31 2kvu s LEU 22 Ca 0.66 -0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 53.38 2kvu s LEU 22 Cb -0.11 -1.54 0.08 0.00 0.03 0.00 0.00 46.19 44.65 2kvu s LEU 22 CO 0.52 0.30 1.10 -2.16 0.23 0.00 0.00 176.35 176.33 2kvu s PRO 23 N -0.44 1.92 0.00 1.29 0.04 -1.26 -4.96 135.00 131.59 2kvu s PRO 23 Ca 0.05 0.68 0.29 0.00 0.04 0.00 0.00 61.00 62.06 2kvu s PRO 23 Cb -0.12 -1.90 1.35 0.00 0.04 0.00 0.00 34.50 33.88 2kvu s PRO 23 CO 0.02 -1.75 1.98 0.00 0.04 0.00 0.00 177.00 177.29 2kvu n ALA 24 N -3.52 2.39 -0.60 8.56 0.00 -1.26 -3.50 120.51 122.58 2kvu n ALA 24 Ca 0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 53.44 53.37 2kvu n ALA 24 Cb 0.56 -1.48 0.27 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.41 4.41 -0.20 0.00 4.13 -1.26 -4.61 115.26 116.31 2kvu n ASN 25 Ca 0.10 -2.92 0.01 0.00 1.68 0.00 0.00 54.58 53.45 2kvu n ASN 25 Cb 0.30 -0.69 0.11 0.00 -1.54 0.00 0.00 39.78 37.96 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 2.48 -0.07 0.00 3.41 3.38 -1.95 0.53 115.31 123.10 2kvu h LEU 26 Ca 0.17 0.12 -0.15 0.00 0.09 0.00 0.00 57.88 58.11 2kvu h LEU 26 Cb 1.95 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.87 2kvu h LEU 26 CO 0.56 -0.03 -0.91 -0.78 0.09 0.00 0.00 178.44 177.37 2kvu h ASP 27 N 0.22 0.00 0.56 -0.43 3.58 -1.92 -3.33 116.42 115.10 2kvu h ASP 27 Ca 0.32 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.53 2kvu h ASP 27 Cb 0.50 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.55 2kvu h ASP 27 CO -0.44 0.61 -1.07 -0.78 -2.88 0.00 0.00 179.24 174.68 2kvu h ASP 28 N 0.00 0.40 -4.18 2.28 3.58 -1.52 -3.46 116.42 113.52 2kvu h ASP 28 Ca -0.07 -0.37 -0.54 0.00 0.42 0.00 0.00 57.03 56.47 2kvu h ASP 28 Cb 1.53 -0.13 0.16 0.00 1.72 0.00 0.00 39.33 42.61 2kvu h ASP 28 CO 0.07 1.23 0.39 -0.04 -2.88 0.00 0.00 179.24 178.01 2kvu s MET 29 N -2.94 2.03 0.75 0.28 -1.94 0.17 -5.00 119.30 112.66 2kvu s MET 29 Ca -0.04 1.80 -0.11 0.00 -1.71 0.00 0.00 55.69 55.63 2kvu s MET 29 Cb 0.08 -1.82 0.05 0.00 2.01 0.00 0.00 34.83 35.16 2kvu s MET 29 CO 0.86 -1.93 1.12 0.15 -0.01 0.00 0.00 175.02 175.22 2kvu s LYS 30 N -3.92 2.36 0.21 2.03 3.01 -1.26 -4.84 119.74 117.33 2kvu s LYS 30 Ca 0.75 0.20 -0.10 0.00 -1.01 0.00 0.00 55.97 55.82 2kvu s LYS 30 Cb -0.30 -2.01 0.27 0.00 -1.01 0.00 0.00 37.83 34.78 2kvu s LYS 30 CO 0.46 -1.31 1.74 0.28 0.51 0.00 0.00 175.35 177.03 2kvu h VAL 31 N -0.82 0.77 -0.58 3.17 2.07 -1.96 -1.19 116.25 117.70 2kvu h VAL 31 Ca -0.45 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 2kvu h VAL 31 Cb 1.30 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 2kvu h VAL 31 CO 0.64 0.07 0.27 0.00 0.02 0.00 0.00 177.57 178.57 2kvu h ALA 32 N 1.41 0.75 -0.84 1.67 0.00 -1.99 -1.99 119.26 118.28 2kvu h ALA 32 Ca 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2kvu h ALA 32 Cb 0.37 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2kvu h ALA 32 CO -0.30 0.33 0.49 0.93 0.00 0.00 0.00 179.25 180.70 2kvu h GLU 33 N 0.80 1.15 -0.21 0.00 4.39 -1.68 0.56 114.58 119.59 2kvu h GLU 33 Ca 0.20 -0.11 -0.16 0.00 0.34 0.00 0.00 59.36 59.63 2kvu h GLU 33 Cb 0.14 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2kvu h GLU 33 CO -0.02 0.81 -0.51 -0.07 -1.16 0.00 0.00 179.01 178.06 2kvu h LEU 34 N 1.16 0.65 -0.88 1.33 3.38 -1.01 -2.79 115.31 117.14 2kvu h LEU 34 Ca 0.30 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2kvu h LEU 34 Cb -0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2kvu h LEU 34 CO -0.05 1.04 -0.34 0.11 0.09 0.00 0.00 178.44 179.29 2kvu h LYS 35 N 0.46 0.00 -0.72 1.13 1.57 -0.69 -1.85 116.57 116.47 2kvu h LYS 35 Ca 0.02 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 2kvu h LYS 35 Cb 1.05 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.33 2kvu h LYS 35 CO 0.10 0.34 0.28 1.96 -0.57 0.00 0.00 179.45 181.56 2kvu h GLN 36 N 0.00 1.06 -0.12 3.15 1.08 -0.65 -0.69 115.11 118.94 2kvu h GLN 36 Ca -0.00 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 57.00 2kvu h GLN 36 Cb 0.90 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 28.15 2kvu h GLN 36 CO 0.04 0.87 0.03 0.93 -0.95 0.00 0.00 178.83 179.75 2kvu h GLU 37 N 1.04 0.19 -0.14 1.46 4.39 -1.19 -2.87 114.58 117.45 2kvu h GLU 37 Ca 0.24 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.93 2kvu h GLU 37 Cb 0.20 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 2kvu h GLU 37 CO -0.02 0.35 -0.06 -0.07 -1.16 0.00 0.00 179.01 178.06 2kvu h LEU 38 N -0.01 -0.19 -1.89 1.33 3.38 -1.04 0.87 115.31 117.75 2kvu h LEU 38 Ca 0.04 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2kvu h LEU 38 Cb 0.25 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 2kvu h LEU 38 CO 0.00 -0.08 -0.13 0.07 0.09 0.00 0.00 178.44 178.40 2kvu h LYS 39 N -0.03 0.00 0.00 1.13 2.10 -1.17 0.35 116.57 118.94 2kvu h LYS 39 Ca 0.07 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.55 2kvu h LYS 39 Cb 0.15 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.45 2kvu h LYS 39 CO -0.16 0.13 -1.22 -0.07 -2.00 0.00 0.00 179.45 176.12 2kvu h LEU 40 N 0.00 0.00 -3.03 7.07 3.38 -1.13 -3.34 115.31 118.27 2kvu h LEU 40 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kvu h LEU 40 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2kvu h LEU 40 CO 0.02 0.68 0.00 0.54 0.09 0.00 0.00 178.44 179.76 2kvu n ARG 41 N -3.04 3.71 -2.43 1.13 1.74 0.23 -4.71 116.66 113.29 2kvu n ARG 41 Ca -0.07 -2.78 -0.16 0.00 -0.77 0.00 0.00 57.85 54.07 2kvu n ARG 41 Cb 0.86 -1.90 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 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 1.08 -4.68 -4.76 0.55 7.64 -0.81 -5.01 113.62 107.63 2kvu n SER 42 Ca 0.25 -0.07 -0.31 0.00 1.01 0.00 0.00 58.87 59.76 2kvu n SER 42 Cb 0.88 -3.74 -0.07 0.00 -1.01 0.00 0.00 64.21 60.27 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 -4.55 3.75 0.19 -3.43 1.43 0.11 -5.03 118.68 111.16 2kvu s LEU 43 Ca 0.06 -0.02 -0.31 0.00 -1.03 0.00 0.00 54.13 52.83 2kvu s LEU 43 Cb -0.03 -2.41 -0.10 0.00 0.03 0.00 0.00 46.19 43.68 2kvu s LEU 43 CO 0.07 0.18 1.51 -2.16 0.23 0.00 0.00 176.35 176.19 2kvu s PRO 44 N -2.30 4.24 0.00 1.29 0.04 -1.26 -3.98 135.00 133.02 2kvu s PRO 44 Ca 0.28 2.33 0.20 0.00 0.04 0.00 0.00 61.00 63.85 2kvu s PRO 44 Cb -0.12 -3.14 0.75 0.00 0.04 0.00 0.00 34.50 32.03 2kvu s PRO 44 CO 0.20 -0.54 1.54 1.33 0.04 0.00 0.00 177.00 179.58 2kvu n VAL 45 N 3.40 0.21 -2.74 -0.36 0.24 -1.26 -4.81 118.33 113.01 2kvu n VAL 45 Ca 0.11 -0.33 -0.43 0.00 -2.04 0.00 0.00 64.34 61.65 2kvu n VAL 45 Cb 0.39 0.34 -0.03 0.00 -1.47 0.00 0.00 33.84 33.07 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 -1.55 7.03 0.00 -1.34 0.01 -1.26 -4.96 113.70 111.64 2kvu s SER 46 Ca 0.32 1.29 0.00 0.00 1.31 0.00 0.00 55.95 58.87 2kvu s SER 46 Cb 0.17 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.89 2kvu s SER 46 CO 0.26 -0.60 0.00 0.61 0.41 0.00 0.00 173.24 173.92 2kvu n GLY 47 N 3.42 2.88 3.98 3.44 0.00 -1.26 -4.99 105.19 112.66 2kvu n GLY 47 Ca 0.10 -1.10 -0.23 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.00 2.36 0.22 2.61 -4.23 -1.26 -4.86 115.64 108.48 2kvu s THR 48 Ca 0.00 -0.57 -0.09 0.00 -1.18 0.00 0.00 61.69 59.86 2kvu s THR 48 Cb 0.00 -2.79 0.17 0.00 1.34 0.00 0.00 72.50 71.22 2kvu s THR 48 CO 0.00 0.00 1.71 0.50 -0.54 0.00 0.00 174.62 176.29 2kvu h LYS 49 N -0.33 0.29 -0.52 3.99 1.63 -2.00 -0.93 116.57 118.70 2kvu h LYS 49 Ca -0.40 -0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.31 2kvu h LYS 49 Cb 1.28 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.83 2kvu h LYS 49 CO 0.47 0.19 0.04 1.15 -3.45 0.00 0.00 179.45 177.86 2kvu h THR 50 N 0.30 1.26 -0.30 1.00 2.02 -2.01 -3.08 112.91 112.09 2kvu h THR 50 Ca 0.33 -1.02 -0.10 0.00 0.77 0.00 0.00 66.41 66.39 2kvu h THR 50 Cb 0.50 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 2kvu h THR 50 CO -0.40 0.36 -0.24 -0.33 0.37 0.00 0.00 175.52 175.28 2kvu h GLU 51 N 0.76 0.58 -0.75 6.66 5.08 -1.62 -2.72 114.58 122.56 2kvu h GLU 51 Ca 0.15 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2kvu h GLU 51 Cb 0.46 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 2kvu h GLU 51 CO 0.02 0.78 0.49 -0.07 -1.00 0.00 0.00 179.01 179.23 2kvu h LEU 52 N 0.51 0.85 -0.26 1.33 3.38 -1.14 0.31 115.31 120.29 2kvu h LEU 52 Ca 0.07 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2kvu h LEU 52 Cb 0.69 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2kvu h LEU 52 CO 0.05 0.61 -0.05 0.40 0.09 0.00 0.00 178.44 179.54 2kvu h ILE 53 N 1.00 1.28 -0.59 1.22 2.04 -1.46 -1.87 117.51 119.13 2kvu h ILE 53 Ca 0.28 -1.04 -0.06 0.00 1.00 0.00 0.00 64.86 65.04 2kvu h ILE 53 Cb -0.10 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 2kvu h ILE 53 CO -0.07 0.33 0.11 -0.33 0.00 0.00 0.00 178.15 178.18 2kvu h GLU 54 N 0.24 0.93 -0.63 2.37 5.08 -1.24 -1.54 114.58 119.79 2kvu h GLU 54 Ca 0.07 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 2kvu h GLU 54 Cb 0.50 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2kvu h GLU 54 CO 0.02 0.86 0.20 -0.09 -1.00 0.00 0.00 179.01 179.00 2kvu h ARG 55 N 0.89 0.98 -0.65 2.33 2.43 -0.80 0.11 114.38 119.67 2kvu h ARG 55 Ca 0.18 -0.21 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 2kvu h ARG 55 Cb 0.37 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 2kvu h ARG 55 CO 0.01 0.86 0.18 -0.07 -1.51 0.00 0.00 179.97 179.44 2kvu h LEU 56 N 0.91 0.96 0.25 3.80 3.38 -1.05 -0.50 115.31 123.06 2kvu h LEU 56 Ca 0.20 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2kvu h LEU 56 Cb 0.29 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2kvu h LEU 56 CO -0.01 0.92 -0.12 0.03 0.09 0.00 0.00 178.44 179.35 2kvu h ARG 57 N 0.94 -0.33 0.00 1.13 3.08 -0.87 -1.40 114.38 116.94 2kvu h ARG 57 Ca 0.21 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.25 2kvu h ARG 57 Cb 0.32 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 2kvu h ARG 57 CO -0.00 -0.16 -0.12 0.00 -1.07 0.00 0.00 179.97 178.62 2kvu h ALA 58 N 0.31 1.43 0.12 0.04 0.00 -0.72 -0.03 119.26 120.40 2kvu h ALA 58 Ca -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2kvu h ALA 58 Cb 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2kvu h ALA 58 CO 0.06 0.15 -0.06 -0.92 0.00 0.00 0.00 179.25 178.48 2kvu h TYR 59 N 0.00 -0.15 -0.81 0.00 3.20 -0.79 -2.67 116.97 115.75 2kvu h TYR 59 Ca -0.00 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 2kvu h TYR 59 Cb 0.29 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.57 2kvu h TYR 59 CO 0.00 0.32 0.38 0.37 -1.64 0.00 0.00 178.16 177.59 2kvu h GLN 60 N -0.72 1.18 -0.45 1.82 -0.00 -0.99 -2.86 115.11 113.10 2kvu h GLN 60 Ca -0.02 -0.18 0.07 0.00 -0.00 0.00 0.00 58.65 58.52 2kvu h GLN 60 Cb 0.53 -0.21 -0.06 0.00 0.00 0.00 0.00 27.48 27.75 2kvu h GLN 60 CO 0.03 0.92 0.11 0.22 0.00 0.00 0.00 178.83 180.10 2kvu h ASP 61 N 1.16 0.05 1.20 -0.69 3.58 -1.04 0.64 116.42 121.31 2kvu h ASP 61 Ca 0.28 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.80 2kvu h ASP 61 Cb 0.14 0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.28 2kvu h ASP 61 CO -0.03 0.06 0.00 0.06 -2.88 0.00 0.00 179.24 176.45 2kvu h GLN 62 N 0.25 0.00 0.00 0.28 3.07 -1.30 -3.31 115.11 114.10 2kvu h GLN 62 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.96 2kvu h GLN 62 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.83 2kvu h GLN 62 CO -0.27 0.00 0.00 -0.89 0.09 0.00 0.00 178.83 177.76 2kvu n ILE 63 N -2.55 0.00 -2.22 1.86 5.41 -0.41 -5.09 119.36 116.37 2kvu n ILE 63 Ca 0.03 0.32 0.00 0.00 1.00 0.00 0.00 62.75 64.10 2kvu n ILE 63 Cb 0.35 -1.04 0.00 0.00 -0.71 0.00 0.00 39.64 38.24 2kvu n ILE 63 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2kvu n SER 64 N -1.60 -8.99 -4.67 4.38 7.64 0.08 -4.87 113.62 105.60 2kvu n SER 64 Ca 0.00 1.68 -0.46 0.00 1.01 0.00 0.00 58.87 61.10 2kvu n SER 64 Cb 0.00 -4.90 -0.04 0.00 -1.01 0.00 0.00 64.21 58.26 2kvu n SER 64 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2kvu n PRO 65 N 1.71 2.14 -2.15 1.43 -0.04 -1.26 -4.92 135.00 131.91 2kvu n PRO 65 Ca 0.00 0.77 -0.41 0.00 -0.04 0.00 0.00 63.50 63.82 2kvu n PRO 65 Cb 0.00 -2.52 -0.03 0.00 -0.04 0.00 0.00 33.50 30.91 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 0.75 3.04 -0.23 0.52 -7.23 -1.26 -4.91 120.40 111.07 2kvu s VAL 66 Ca 0.77 0.85 -0.28 0.00 -1.81 0.00 0.00 61.98 61.51 2kvu s VAL 66 Cb -0.67 -3.54 -0.04 0.00 0.56 0.00 0.00 36.38 32.68 2kvu s VAL 66 CO 0.40 0.13 2.11 -2.84 -0.31 0.00 0.00 175.10 174.58 2kvu s PRO 67 N -0.12 3.23 0.00 4.82 0.02 -1.26 -1.70 135.00 139.98 2kvu s PRO 67 Ca 0.58 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.52 2kvu s PRO 67 Cb -0.38 -4.32 0.00 0.00 0.02 0.00 0.00 34.50 29.82 2kvu s PRO 67 CO 0.39 -1.99 0.00 0.41 -0.33 0.00 0.00 177.00 175.48 2kvu n GLY 68 N 5.62 1.11 1.19 0.52 0.00 -1.26 -4.87 105.19 107.51 2kvu n GLY 68 Ca 0.28 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.45 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 0.20 -3.10 -1.57 4.61 0.00 -0.69 -4.53 120.51 115.44 2kvu n ALA 69 Ca 0.00 0.55 -0.46 0.00 0.00 0.00 0.00 53.44 53.54 2kvu n ALA 69 Cb 0.00 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.23 2kvu n ALA 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2kvu n PRO 70 N -3.96 1.79 -3.91 0.00 -0.04 -1.26 -4.94 135.00 122.69 2kvu n PRO 70 Ca -0.03 0.52 -0.10 0.00 -0.04 0.00 0.00 63.50 63.85 2kvu n PRO 70 Cb 0.55 -2.96 -0.10 0.00 -0.04 0.00 0.00 33.50 30.95 2kvu n PRO 70 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2kvu s LYS 71 N 6.01 0.46 0.11 0.54 2.20 -1.26 -5.16 119.74 122.64 2kvu s LYS 71 Ca 1.02 -0.52 0.02 0.00 -0.36 0.00 0.00 55.97 56.13 2kvu s LYS 71 Cb -0.52 0.18 -0.04 0.00 -1.51 0.00 0.00 37.83 35.95 2kvu s LYS 71 CO 0.41 -0.10 0.24 0.00 -0.36 0.00 0.00 175.35 175.54 2kvu s ALA 72 N -1.61 3.96 0.03 3.13 0.00 -1.26 -5.04 121.76 120.96 2kvu s ALA 72 Ca -0.13 -0.97 -0.32 0.00 0.00 0.00 0.00 51.96 50.54 2kvu s ALA 72 Cb -0.07 -1.77 -0.10 0.00 0.00 0.00 0.00 23.12 21.17 2kvu s ALA 72 CO -0.00 0.65 1.90 -0.35 0.00 0.00 0.00 175.76 177.97 2kvu n PRO 73 N -0.19 2.66 -1.51 0.00 -0.04 -1.26 -1.58 135.00 133.07 2kvu n PRO 73 Ca -0.06 0.97 -0.17 0.00 -0.04 0.00 0.00 63.50 64.20 2kvu n PRO 73 Cb 0.53 -2.88 -0.07 0.00 -0.04 0.00 0.00 33.50 31.04 2kvu n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kvu n ALA 74 N 6.66 -0.26 -0.18 0.55 0.00 -1.26 -5.37 120.51 120.65 2kvu n ALA 74 Ca 0.20 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2kvu n ALA 74 Cb 0.37 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 18.07 2kvu n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50