#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 0.35 3.06 -5.12 0.00 -1.26 -4.97 105.19 97.25 2kvu n GLY 2 Ca 0.00 -1.66 -0.32 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.89 2.96 0.27 1.61 4.02 -1.26 -5.11 115.29 114.90 2kvu s HIS 3 Ca 0.00 -2.01 -0.24 0.00 1.02 0.00 0.00 55.06 53.83 2kvu s HIS 3 Cb 0.00 -1.86 -0.09 0.00 -1.02 0.00 0.00 32.58 29.61 2kvu s HIS 3 CO 0.00 -0.84 0.85 -1.58 1.02 0.00 0.00 174.74 174.20 2kvu s HIS 4 N 1.21 3.70 0.21 1.40 5.65 -1.26 -4.97 115.29 121.23 2kvu s HIS 4 Ca -0.04 1.64 -0.10 0.00 0.25 0.00 0.00 55.06 56.80 2kvu s HIS 4 Cb -0.18 -2.80 0.29 0.00 -1.18 0.00 0.00 32.58 28.71 2kvu s HIS 4 CO -0.07 0.28 1.69 1.25 -0.65 0.00 0.00 174.74 177.24 2kvu h HIS 5 N 3.37 0.11 -3.38 3.88 2.76 -2.06 -3.38 115.15 116.45 2kvu h HIS 5 Ca -0.47 0.04 -0.59 0.00 -2.20 0.00 0.00 60.37 57.15 2kvu h HIS 5 Cb 1.19 0.04 -0.09 0.00 1.55 0.00 0.00 27.41 30.11 2kvu h HIS 5 CO 0.62 -0.08 0.23 -1.58 -1.30 0.00 0.00 177.93 175.82 2kvu s HIS 6 N -6.12 3.38 -0.12 5.26 5.65 -1.26 -5.03 115.29 117.05 2kvu s HIS 6 Ca -0.13 1.04 -0.04 0.00 0.25 0.00 0.00 55.06 56.18 2kvu s HIS 6 Cb 0.18 -2.89 0.06 0.00 -1.18 0.00 0.00 32.58 28.76 2kvu s HIS 6 CO 0.74 -0.22 0.20 -1.58 -0.65 0.00 0.00 174.74 173.23 2kvu s HIS 7 N 2.08 -0.27 -1.32 3.88 5.04 -1.26 -5.07 115.29 118.36 2kvu s HIS 7 Ca 0.32 0.64 -0.13 0.00 -1.54 0.00 0.00 55.06 54.35 2kvu s HIS 7 Cb -0.16 -0.22 0.12 0.00 0.04 0.00 0.00 32.58 32.36 2kvu s HIS 7 CO 0.11 -0.36 1.88 -2.39 -2.34 0.00 0.00 174.74 171.64 2kvu n HIS 8 N 5.33 3.69 -2.56 3.88 -0.00 -1.26 -4.95 115.22 119.35 2kvu n HIS 8 Ca -0.05 -2.95 -0.43 0.00 -0.00 0.00 0.00 57.72 54.29 2kvu n HIS 8 Cb 0.50 -2.25 -0.02 0.00 -0.00 0.00 0.00 29.99 28.21 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 2.31 6.85 -0.04 4.39 0.01 -1.26 -5.00 113.70 120.96 2kvu s SER 9 Ca 0.44 1.13 -0.14 0.00 1.31 0.00 0.00 55.95 58.69 2kvu s SER 9 Cb 0.08 -2.54 0.03 0.00 0.21 0.00 0.00 66.02 63.79 2kvu s SER 9 CO -0.01 -0.94 0.31 -1.38 0.41 0.00 0.00 173.24 171.64 2kvu s HIS 10 N 3.86 -0.23 -0.37 2.43 -3.43 -1.26 -5.04 115.29 111.25 2kvu s HIS 10 Ca 0.49 0.42 0.01 0.00 -0.80 0.00 0.00 55.06 55.18 2kvu s HIS 10 Cb -0.14 0.10 0.11 0.00 -1.43 0.00 0.00 32.58 31.22 2kvu s HIS 10 CO 0.18 -0.33 0.12 0.00 -2.00 0.00 0.00 174.74 172.71 2kvu s MET 11 N -0.94 1.72 0.00 -0.38 0.00 -1.26 -4.87 119.30 113.57 2kvu s MET 11 Ca -0.10 -1.87 0.21 0.00 0.00 0.00 0.00 55.69 53.92 2kvu s MET 11 Cb -0.05 -3.38 -0.02 0.00 0.00 0.00 0.00 34.83 31.39 2kvu s MET 11 CO 0.03 -1.00 1.01 -1.13 0.00 0.00 0.00 175.02 173.93 2kvu n SER 12 N 4.38 1.88 -4.13 -1.18 3.41 -1.26 -4.93 113.62 111.79 2kvu n SER 12 Ca 0.01 -1.44 -0.21 0.00 -0.26 0.00 0.00 58.87 56.97 2kvu n SER 12 Cb 0.42 0.50 -0.14 0.00 -0.26 0.00 0.00 64.21 64.72 2kvu n SER 12 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2kvu s THR 13 N -2.33 1.12 0.47 6.66 -4.23 -1.26 -5.14 115.64 110.93 2kvu s THR 13 Ca 0.17 -0.82 -0.23 0.00 -1.18 0.00 0.00 61.69 59.63 2kvu s THR 13 Cb 0.16 -0.98 -0.07 0.00 1.34 0.00 0.00 72.50 72.96 2kvu s THR 13 CO 0.54 0.15 1.19 -2.84 -0.54 0.00 0.00 174.62 173.11 2kvu s PRO 14 N -0.78 3.67 0.52 3.99 0.02 -1.26 -5.02 135.00 136.14 2kvu s PRO 14 Ca 0.03 1.84 -0.17 0.00 0.02 0.00 0.00 61.00 62.73 2kvu s PRO 14 Cb -0.07 -2.38 -0.07 0.00 0.02 0.00 0.00 34.50 32.00 2kvu s PRO 14 CO 0.00 -0.65 1.00 -1.17 -0.33 0.00 0.00 177.00 175.85 2kvu s LEU 15 N -3.10 3.63 0.79 -5.54 2.96 -1.26 -5.05 118.68 111.10 2kvu s LEU 15 Ca 0.65 1.62 -0.12 0.00 -0.22 0.00 0.00 54.13 56.06 2kvu s LEU 15 Cb -0.30 -4.52 0.07 0.00 0.50 0.00 0.00 46.19 41.94 2kvu s LEU 15 CO 0.36 -0.67 1.11 0.28 -1.32 0.00 0.00 176.35 176.12 2kvu s THR 16 N -2.56 2.93 0.00 3.68 -1.32 -1.26 -5.09 115.64 112.03 2kvu s THR 16 Ca 0.60 0.30 0.00 0.00 -1.21 0.00 0.00 61.69 61.38 2kvu s THR 16 Cb -0.11 -3.12 0.00 0.00 -1.51 0.00 0.00 72.50 67.76 2kvu s THR 16 CO 0.31 -0.40 0.00 0.61 -2.21 0.00 0.00 174.62 172.93 2kvu n GLY 17 N -2.41 1.54 2.61 6.08 0.00 -1.26 -4.97 105.19 106.78 2kvu n GLY 17 Ca 0.07 -1.60 -0.06 0.00 0.00 0.00 0.00 46.02 44.44 2kvu n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kvu n LYS 18 N 0.00 -1.83 0.00 1.61 4.01 -1.26 -4.89 118.16 115.80 2kvu n LYS 18 Ca 0.00 1.76 0.09 0.00 -0.51 0.00 0.00 58.31 59.64 2kvu n LYS 18 Cb 0.00 -4.89 0.46 0.00 -0.51 0.00 0.00 35.03 30.10 2kvu n LYS 18 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 2kvu n PRO 19 N -0.48 0.34 0.01 1.97 -0.04 -1.26 -2.65 135.00 132.88 2kvu n PRO 19 Ca 0.09 0.09 0.09 0.00 -0.04 0.00 0.00 63.50 63.72 2kvu n PRO 19 Cb 0.39 -1.50 0.38 0.00 -0.04 0.00 0.00 33.50 32.72 2kvu n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kvu n GLY 20 N 0.17 -1.12 1.38 0.55 0.00 -1.26 -4.80 105.19 100.11 2kvu n GLY 20 Ca 0.10 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 2kvu n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kvu n ALA 21 N -1.53 0.29 -2.57 4.61 0.00 -1.09 -4.96 120.51 115.27 2kvu n ALA 21 Ca 0.04 -0.85 -0.20 0.00 0.00 0.00 0.00 53.44 52.44 2kvu n ALA 21 Cb 0.21 0.65 -0.12 0.00 0.00 0.00 0.00 19.45 20.19 2kvu n ALA 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kvu s LEU 22 N 0.00 2.34 0.28 0.00 1.43 -1.26 -5.00 118.68 116.47 2kvu s LEU 22 Ca 0.15 -0.72 -0.30 0.00 -1.03 0.00 0.00 54.13 52.23 2kvu s LEU 22 Cb 0.01 -0.65 -0.10 0.00 0.03 0.00 0.00 46.19 45.48 2kvu s LEU 22 CO 0.10 -0.06 1.43 -2.16 0.23 0.00 0.00 176.35 175.89 2kvu s PRO 23 N -2.20 4.26 0.57 1.29 0.04 -1.26 -4.91 135.00 132.80 2kvu s PRO 23 Ca 0.05 2.33 0.30 0.00 0.04 0.00 0.00 61.00 63.72 2kvu s PRO 23 Cb -0.08 -3.08 1.75 0.00 0.04 0.00 0.00 34.50 33.13 2kvu s PRO 23 CO 0.03 -0.40 2.21 0.00 0.04 0.00 0.00 177.00 178.88 2kvu h ALA 24 N 4.50 1.41 -0.20 8.56 0.00 -2.05 -3.21 119.26 128.28 2kvu h ALA 24 Ca -0.47 -0.03 -0.44 0.00 0.00 0.00 0.00 54.91 53.97 2kvu h ALA 24 Cb 1.22 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 2kvu h ALA 24 CO 0.74 0.05 1.10 0.09 0.00 0.00 0.00 179.25 181.22 2kvu n ASN 25 N -3.73 6.67 0.25 0.00 4.13 -1.26 -4.51 115.26 116.81 2kvu n ASN 25 Ca -0.03 -2.75 0.14 0.00 1.68 0.00 0.00 54.58 53.63 2kvu n ASN 25 Cb 0.13 -1.40 0.46 0.00 -1.54 0.00 0.00 39.78 37.43 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 5.28 0.00 0.00 3.41 3.38 -1.93 -2.31 115.31 123.14 2kvu h LEU 26 Ca 0.46 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.22 2kvu h LEU 26 Cb 0.91 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 2kvu h LEU 26 CO 0.88 0.03 -1.43 -0.78 0.09 0.00 0.00 178.44 177.24 2kvu h ASP 27 N 0.00 0.00 0.71 -0.43 3.58 -1.92 -3.21 116.42 115.14 2kvu h ASP 27 Ca -0.00 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 2kvu h ASP 27 Cb 0.73 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.77 2kvu h ASP 27 CO 0.00 0.75 -0.26 0.44 -2.88 0.00 0.00 179.24 177.29 2kvu h ASP 28 N 0.00 0.00 -3.90 2.28 3.32 -1.87 -3.43 116.42 112.83 2kvu h ASP 28 Ca -0.19 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.35 2kvu h ASP 28 Cb 1.74 0.00 0.05 0.00 0.22 0.00 0.00 39.33 41.34 2kvu h ASP 28 CO 0.06 0.26 0.56 -0.04 -1.72 0.00 0.00 179.24 178.37 2kvu s MET 29 N -3.82 4.25 0.82 3.56 -1.94 -0.89 -4.65 119.30 116.63 2kvu s MET 29 Ca -0.01 2.01 -0.12 0.00 -1.71 0.00 0.00 55.69 55.87 2kvu s MET 29 Cb 0.12 -2.91 0.08 0.00 2.01 0.00 0.00 34.83 34.13 2kvu s MET 29 CO 0.65 -0.21 1.13 0.15 -0.01 0.00 0.00 175.02 176.73 2kvu s LYS 30 N -1.97 1.90 0.10 2.03 1.02 -1.26 -4.83 119.74 116.73 2kvu s LYS 30 Ca 0.52 0.38 -0.20 0.00 0.02 0.00 0.00 55.97 56.70 2kvu s LYS 30 Cb -0.35 -1.92 -0.08 0.00 -0.52 0.00 0.00 37.83 34.96 2kvu s LYS 30 CO 0.46 -1.69 1.65 0.28 -0.92 0.00 0.00 175.35 175.12 2kvu h VAL 31 N -1.13 1.15 -0.42 3.17 2.07 -1.95 -0.37 116.25 118.77 2kvu h VAL 31 Ca -0.48 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 66.55 2kvu h VAL 31 Cb 1.30 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 2kvu h VAL 31 CO 0.62 0.14 0.02 0.00 0.02 0.00 0.00 177.57 178.38 2kvu h ALA 32 N 0.94 1.25 -0.34 1.67 0.00 -1.98 -1.85 119.26 118.95 2kvu h ALA 32 Ca 0.07 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 2kvu h ALA 32 Cb 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2kvu h ALA 32 CO -0.01 0.50 -0.34 0.93 0.00 0.00 0.00 179.25 180.33 2kvu h GLU 33 N 0.63 0.78 -0.67 0.00 4.39 -1.83 -1.11 114.58 116.77 2kvu h GLU 33 Ca 0.13 -0.38 -0.05 0.00 0.34 0.00 0.00 59.36 59.41 2kvu h GLU 33 Cb 0.37 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 2kvu h GLU 33 CO 0.01 1.00 0.24 -0.07 -1.16 0.00 0.00 179.01 179.03 2kvu h LEU 34 N 0.65 0.94 -1.58 1.33 3.38 -0.78 -2.43 115.31 116.82 2kvu h LEU 34 Ca 0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2kvu h LEU 34 Cb 0.89 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 2kvu h LEU 34 CO 0.08 0.88 -0.10 0.11 0.09 0.00 0.00 178.44 179.50 2kvu h LYS 35 N 0.96 0.00 -0.45 1.13 1.57 -0.96 -0.77 116.57 118.04 2kvu h LYS 35 Ca 0.22 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.86 2kvu h LYS 35 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2kvu h LYS 35 CO -0.01 0.10 -0.27 1.96 -0.57 0.00 0.00 179.45 180.65 2kvu h GLN 36 N 0.00 0.99 -0.07 3.15 1.08 -0.72 -1.53 115.11 118.00 2kvu h GLN 36 Ca -0.00 -0.45 -0.21 0.00 -1.45 0.00 0.00 58.65 56.54 2kvu h GLN 36 Cb 0.51 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 2kvu h GLN 36 CO 0.01 1.13 -0.80 0.93 -0.95 0.00 0.00 178.83 179.14 2kvu h GLU 37 N 0.83 0.51 0.34 1.46 4.39 -1.23 -3.08 114.58 117.81 2kvu h GLU 37 Ca 0.09 -0.45 -0.01 0.00 0.34 0.00 0.00 59.36 59.34 2kvu h GLU 37 Cb 0.86 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.61 2kvu h GLU 37 CO 0.08 1.08 -0.22 -0.07 -1.16 0.00 0.00 179.01 178.72 2kvu h LEU 38 N 0.33 -0.56 -1.60 1.33 3.38 -1.07 -1.93 115.31 115.20 2kvu h LEU 38 Ca -0.05 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2kvu h LEU 38 Cb 1.41 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.31 2kvu h LEU 38 CO 0.15 -0.35 0.25 0.07 0.09 0.00 0.00 178.44 178.65 2kvu h LYS 39 N -0.55 0.52 0.00 1.13 2.10 -1.34 0.34 116.57 118.77 2kvu h LYS 39 Ca -0.03 -0.03 -0.08 0.00 -2.00 0.00 0.00 60.65 58.50 2kvu h LYS 39 Cb 0.46 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 31.66 2kvu h LYS 39 CO 0.03 0.35 -0.39 -0.07 -2.00 0.00 0.00 179.45 177.37 2kvu h LEU 40 N 0.53 0.00 -3.41 7.07 3.38 -1.41 -3.20 115.31 118.27 2kvu h LEU 40 Ca 0.14 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 2kvu h LEU 40 Cb -0.05 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 2kvu h LEU 40 CO -0.03 0.39 0.05 0.54 0.09 0.00 0.00 178.44 179.48 2kvu n ARG 41 N -3.29 2.98 -2.66 1.13 1.74 -0.67 -4.93 116.66 110.96 2kvu n ARG 41 Ca 0.01 -2.99 -0.17 0.00 -0.77 0.00 0.00 57.85 53.93 2kvu n ARG 41 Cb 0.62 -1.95 0.02 0.00 -1.02 0.00 0.00 32.46 30.13 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 -0.51 -5.09 -4.61 0.55 7.64 -0.92 -5.00 113.62 105.68 2kvu n SER 42 Ca 0.29 -0.15 -0.33 0.00 1.01 0.00 0.00 58.87 59.69 2kvu n SER 42 Cb 1.06 -4.03 -0.10 0.00 -1.01 0.00 0.00 64.21 60.13 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 -5.15 3.26 0.62 -3.43 1.43 0.11 -5.02 118.68 110.50 2kvu s LEU 43 Ca 0.15 -0.06 -0.17 0.00 -1.03 0.00 0.00 54.13 53.02 2kvu s LEU 43 Cb -0.07 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 2kvu s LEU 43 CO 0.19 0.32 1.15 -2.84 0.23 0.00 0.00 176.35 175.39 2kvu s PRO 44 N -1.20 2.91 0.00 1.29 0.02 -1.26 -3.63 135.00 133.14 2kvu s PRO 44 Ca 0.16 1.58 0.16 0.00 0.02 0.00 0.00 61.00 62.91 2kvu s PRO 44 Cb -0.11 -1.95 0.19 0.00 0.02 0.00 0.00 34.50 32.65 2kvu s PRO 44 CO 0.06 -1.19 1.08 1.33 -0.33 0.00 0.00 177.00 177.94 2kvu n VAL 45 N -1.97 0.22 -3.00 3.83 0.24 -1.26 -4.89 118.33 111.50 2kvu n VAL 45 Ca 0.12 -0.61 -0.35 0.00 -2.04 0.00 0.00 64.34 61.45 2kvu n VAL 45 Cb 0.51 1.14 -0.06 0.00 -1.47 0.00 0.00 33.84 33.96 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 -1.24 7.06 0.00 -1.34 0.15 -1.26 -4.96 113.70 112.12 2kvu s SER 46 Ca 0.21 1.53 0.00 0.00 0.70 0.00 0.00 55.95 58.39 2kvu s SER 46 Cb 0.14 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 2kvu s SER 46 CO 0.20 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.17 2kvu n GLY 47 N 0.33 1.73 3.90 9.45 0.00 -1.26 -4.84 105.19 114.50 2kvu n GLY 47 Ca 0.01 -2.17 -0.29 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.46 2.62 0.20 2.61 -4.23 -1.26 -4.85 115.64 109.28 2kvu s THR 48 Ca 0.00 0.11 -0.10 0.00 -1.18 0.00 0.00 61.69 60.51 2kvu s THR 48 Cb 0.00 -3.18 0.13 0.00 1.34 0.00 0.00 72.50 70.79 2kvu s THR 48 CO 0.00 -0.23 1.83 0.50 -0.54 0.00 0.00 174.62 176.18 2kvu h LYS 49 N -0.80 0.74 -0.54 3.99 3.64 -1.99 -0.44 116.57 121.17 2kvu h LYS 49 Ca -0.45 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 58.91 2kvu h LYS 49 Cb 1.30 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.91 2kvu h LYS 49 CO 0.64 0.49 0.32 1.15 -2.27 0.00 0.00 179.45 179.78 2kvu h THR 50 N 0.76 1.04 -0.65 1.00 2.02 -1.99 -1.38 112.91 113.71 2kvu h THR 50 Ca 0.27 -0.22 -0.09 0.00 0.77 0.00 0.00 66.41 67.15 2kvu h THR 50 Cb 0.07 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 2kvu h THR 50 CO -0.13 0.11 0.07 -0.33 0.37 0.00 0.00 175.52 175.61 2kvu h GLU 51 N 0.63 1.10 -0.74 6.66 5.08 -1.74 -0.81 114.58 124.75 2kvu h GLU 51 Ca 0.22 -0.32 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2kvu h GLU 51 Cb 0.04 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 2kvu h GLU 51 CO -0.11 1.03 0.49 -0.07 -1.00 0.00 0.00 179.01 179.35 2kvu h LEU 52 N 1.01 0.86 0.01 1.33 3.38 -0.72 0.37 115.31 121.55 2kvu h LEU 52 Ca 0.19 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 2kvu h LEU 52 Cb 0.49 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2kvu h LEU 52 CO 0.02 0.63 -0.00 0.40 0.09 0.00 0.00 178.44 179.57 2kvu h ILE 53 N 1.01 1.06 -0.01 1.22 2.04 -0.84 -1.95 117.51 120.03 2kvu h ILE 53 Ca 0.27 -0.20 -0.11 0.00 1.00 0.00 0.00 64.86 65.82 2kvu h ILE 53 Cb -0.11 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2kvu h ILE 53 CO -0.06 0.05 -0.51 -0.33 0.00 0.00 0.00 178.15 177.31 2kvu h GLU 54 N -0.10 0.03 -0.33 2.37 5.08 -0.86 -1.05 114.58 119.72 2kvu h GLU 54 Ca -0.00 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2kvu h GLU 54 Cb 0.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2kvu h GLU 54 CO 0.00 0.53 0.18 -0.09 -1.00 0.00 0.00 179.01 178.63 2kvu h ARG 55 N 0.02 0.46 -0.19 2.33 2.43 -0.11 0.17 114.38 119.49 2kvu h ARG 55 Ca -0.00 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2kvu h ARG 55 Cb 0.90 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 2kvu h ARG 55 CO 0.07 0.39 0.06 -0.07 -1.51 0.00 0.00 179.97 178.91 2kvu h LEU 56 N 0.41 0.07 -0.06 3.80 3.38 -0.98 0.20 115.31 122.12 2kvu h LEU 56 Ca 0.12 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.14 2kvu h LEU 56 Cb 0.06 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 2kvu h LEU 56 CO -0.02 0.07 -0.13 0.03 0.09 0.00 0.00 178.44 178.48 2kvu h ARG 57 N 0.16 -0.19 -0.44 1.13 3.08 -0.89 0.33 114.38 117.55 2kvu h ARG 57 Ca 0.08 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 2kvu h ARG 57 Cb 0.05 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 2kvu h ARG 57 CO -0.08 -0.13 0.14 0.00 -1.07 0.00 0.00 179.97 178.83 2kvu h ALA 58 N 0.81 0.58 -0.45 0.04 0.00 -0.54 -1.31 119.26 118.40 2kvu h ALA 58 Ca 0.07 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2kvu h ALA 58 Cb 0.29 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2kvu h ALA 58 CO -0.18 0.23 0.04 -0.92 0.00 0.00 0.00 179.25 178.41 2kvu h TYR 59 N 0.58 0.83 -0.37 0.00 3.20 -0.74 -2.64 116.97 117.82 2kvu h TYR 59 Ca 0.14 -0.13 -0.13 0.00 3.14 0.00 0.00 58.73 61.76 2kvu h TYR 59 Cb 0.26 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 2kvu h TYR 59 CO 0.01 0.80 -0.28 0.37 -1.64 0.00 0.00 178.16 177.42 2kvu h GLN 60 N 0.62 0.79 0.00 1.82 -0.00 -0.84 -2.77 115.11 114.73 2kvu h GLN 60 Ca 0.13 -0.35 -0.08 0.00 -0.00 0.00 0.00 58.65 58.36 2kvu h GLN 60 Cb 0.44 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.89 2kvu h GLN 60 CO 0.02 0.97 -0.37 0.22 0.00 0.00 0.00 178.83 179.67 2kvu h ASP 61 N 0.67 0.00 0.00 -0.69 3.58 -1.11 -1.38 116.42 117.50 2kvu h ASP 61 Ca 0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.53 2kvu h ASP 61 Cb 0.81 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.86 2kvu h ASP 61 CO 0.07 0.37 -0.02 0.00 -2.88 0.00 0.00 179.24 176.78 2kvu n GLN 62 N -3.96 1.60 -0.12 0.28 10.64 -1.01 -3.58 117.38 121.24 2kvu n GLN 62 Ca -0.02 -0.92 -0.04 0.00 -1.83 0.00 0.00 57.00 54.20 2kvu n GLN 62 Cb 0.42 -1.48 0.17 0.00 -0.86 0.00 0.00 30.24 28.49 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 2.24 1.24 -3.72 -0.39 1.08 -0.96 -3.41 117.51 113.60 2kvu h ILE 63 Ca 0.00 -0.93 -0.63 0.00 -0.39 0.00 0.00 64.86 62.92 2kvu h ILE 63 Cb 0.49 0.80 -0.15 0.00 -3.07 0.00 0.00 36.82 34.90 2kvu h ILE 63 CO 0.00 0.33 -0.31 -0.44 -0.69 0.00 0.00 178.15 177.04 2kvu s SER 64 N -6.62 6.22 -0.19 1.72 0.01 -1.23 -5.03 113.70 108.57 2kvu s SER 64 Ca -0.10 0.24 -0.28 0.00 1.31 0.00 0.00 55.95 57.12 2kvu s SER 64 Cb 0.15 -2.19 -0.05 0.00 0.21 0.00 0.00 66.02 64.14 2kvu s SER 64 CO 0.81 -0.13 2.11 -2.84 0.41 0.00 0.00 173.24 173.60 2kvu s PRO 65 N 1.84 3.34 0.51 12.44 0.02 -1.26 -4.95 135.00 146.94 2kvu s PRO 65 Ca 0.13 2.04 -0.22 0.00 0.02 0.00 0.00 61.00 62.97 2kvu s PRO 65 Cb -0.16 -4.31 -0.06 0.00 0.02 0.00 0.00 34.50 30.00 2kvu s PRO 65 CO 0.09 -1.86 1.29 0.14 -0.33 0.00 0.00 177.00 176.33 2kvu s VAL 66 N 7.40 2.47 0.05 3.83 -7.23 -1.26 -4.96 120.40 120.70 2kvu s VAL 66 Ca 0.95 0.35 -0.19 0.00 -1.81 0.00 0.00 61.98 61.28 2kvu s VAL 66 Cb -0.33 -3.18 -0.09 0.00 0.56 0.00 0.00 36.38 33.34 2kvu s VAL 66 CO 0.36 -0.00 1.31 -0.65 -0.31 0.00 0.00 175.10 175.80 2kvu h PRO 67 N 1.74 -0.46 -1.66 4.82 0.11 -2.03 -3.38 132.00 131.13 2kvu h PRO 67 Ca -0.50 0.03 -0.48 0.00 0.11 0.00 0.00 66.00 65.16 2kvu h PRO 67 Cb 1.28 0.11 -0.35 0.00 0.11 0.00 0.00 31.00 32.14 2kvu h PRO 67 CO 0.59 -0.31 -1.03 0.41 -0.21 0.00 0.00 178.00 177.45 2kvu n GLY 68 N -1.29 2.61 2.96 -0.55 0.00 -1.26 -5.10 105.19 102.56 2kvu n GLY 68 Ca -0.06 -1.32 -0.11 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.22 -0.01 0.17 4.61 0.00 -1.26 -5.15 121.76 118.90 2kvu s ALA 69 Ca 0.35 -0.24 -0.30 0.00 0.00 0.00 0.00 51.96 51.77 2kvu s ALA 69 Cb 0.23 0.06 -0.07 0.00 0.00 0.00 0.00 23.12 23.33 2kvu s ALA 69 CO -0.11 -0.10 0.97 -2.14 0.00 0.00 0.00 175.76 174.37 2kvu s PRO 70 N -0.79 4.75 -1.38 0.00 0.02 -1.26 -4.84 135.00 131.50 2kvu s PRO 70 Ca -0.09 1.50 -0.08 0.00 0.02 0.00 0.00 61.00 62.35 2kvu s PRO 70 Cb -0.05 -3.33 0.09 0.00 0.02 0.00 0.00 34.50 31.23 2kvu s PRO 70 CO -0.00 0.33 2.33 1.17 -0.33 0.00 0.00 177.00 180.50 2kvu n LYS 71 N 2.19 4.00 -3.05 5.54 4.81 -1.26 -4.65 118.16 125.74 2kvu n LYS 71 Ca 0.01 -3.17 -0.13 0.00 -0.87 0.00 0.00 58.31 54.14 2kvu n LYS 71 Cb 0.48 -2.81 -0.04 0.00 0.02 0.00 0.00 35.03 32.69 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 0.29 -0.70 0.82 3.14 0.00 -1.26 -5.15 121.76 118.90 2kvu s ALA 72 Ca 0.52 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.29 2kvu s ALA 72 Cb 0.15 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 21.02 2kvu s ALA 72 CO -0.06 -2.13 0.00 -0.35 0.00 0.00 0.00 175.76 173.22 2kvu n PRO 73 N 3.05 0.35 -2.80 0.00 -0.05 -1.26 -4.85 135.00 129.44 2kvu n PRO 73 Ca 0.22 0.00 -0.08 0.00 -0.05 0.00 0.00 63.50 63.59 2kvu n PRO 73 Cb 0.52 0.00 0.01 0.00 -0.05 0.00 0.00 33.50 33.98 2kvu n PRO 73 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2kvu n ALA 74 N -3.00 -3.03 -0.35 0.55 0.00 -1.26 -5.27 120.51 108.16 2kvu n ALA 74 Ca 0.00 1.14 0.00 0.00 0.00 0.00 0.00 53.44 54.58 2kvu n ALA 74 Cb 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 19.45 15.81 2kvu n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50