#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvt s PRO 2 N 0.00 3.81 -1.03 0.03 0.04 -1.26 -4.94 135.00 131.65 2kvt s PRO 2 Ca 0.00 2.21 -0.15 0.00 0.04 0.00 0.00 61.00 63.10 2kvt s PRO 2 Cb 0.00 -4.17 0.18 0.00 0.04 0.00 0.00 34.50 30.55 2kvt s PRO 2 CO 0.00 -1.31 1.18 0.95 0.04 0.00 0.00 177.00 177.86 2kvt s THR 3 N 5.56 5.13 -0.32 1.26 -4.23 -1.26 -4.89 115.64 116.89 2kvt s THR 3 Ca 0.86 -2.32 0.05 0.00 -1.18 0.00 0.00 61.69 59.10 2kvt s THR 3 Cb -0.35 -4.76 0.18 0.00 1.34 0.00 0.00 72.50 68.91 2kvt s THR 3 CO 0.36 -1.43 0.55 -0.75 -0.54 0.00 0.00 174.62 172.80 2kvt s LYS 4 N 1.41 0.59 0.30 3.99 2.47 -1.26 -5.16 119.74 122.08 2kvt s LYS 4 Ca 0.34 0.19 -0.22 0.00 -1.56 0.00 0.00 55.97 54.72 2kvt s LYS 4 Cb -0.06 0.03 -0.09 0.00 -1.46 0.00 0.00 37.83 36.26 2kvt s LYS 4 CO -0.06 -1.09 0.85 -1.25 0.16 0.00 0.00 175.35 173.96 2kvt s PRO 5 N 2.46 4.37 0.75 4.03 0.04 -1.26 -5.08 135.00 140.31 2kvt s PRO 5 Ca 0.12 1.08 -0.11 0.00 0.04 0.00 0.00 61.00 62.13 2kvt s PRO 5 Cb -0.10 -2.71 0.04 0.00 0.04 0.00 0.00 34.50 31.78 2kvt s PRO 5 CO -0.21 0.27 1.08 -1.25 0.04 0.00 0.00 177.00 176.92 2kvt s PRO 6 N -2.27 2.48 0.51 0.56 0.04 -1.26 -5.01 135.00 130.05 2kvt s PRO 6 Ca 0.50 1.03 -0.23 0.00 0.04 0.00 0.00 61.00 62.34 2kvt s PRO 6 Cb -0.16 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.39 2kvt s PRO 6 CO 0.21 -1.45 1.29 1.52 0.04 0.00 0.00 177.00 178.61 2kvt s TYR 7 N -2.98 2.52 0.82 0.56 1.13 -1.26 -5.02 117.35 113.12 2kvt s TYR 7 Ca 0.60 1.42 -0.12 0.00 -1.41 0.00 0.00 57.07 57.57 2kvt s TYR 7 Cb -0.16 -3.66 0.08 0.00 -1.10 0.00 0.00 41.96 37.12 2kvt s TYR 7 CO 0.56 -2.40 1.10 -1.25 -2.51 0.00 0.00 175.55 171.04 2kvt s PRO 8 N -2.78 1.91 -0.12 -3.49 0.04 -1.26 -5.07 135.00 124.24 2kvt s PRO 8 Ca 0.68 0.63 -0.06 0.00 0.04 0.00 0.00 61.00 62.28 2kvt s PRO 8 Cb -0.37 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 2kvt s PRO 8 CO 0.44 -1.74 0.11 1.03 0.04 0.00 0.00 177.00 176.88 2kvt s ARG 9 N -5.14 3.40 -0.20 4.56 3.00 -1.26 -5.01 118.95 118.29 2kvt s ARG 9 Ca 0.61 -0.19 -0.06 0.00 0.00 0.00 0.00 55.73 56.10 2kvt s ARG 9 Cb -0.15 -3.13 0.10 0.00 0.00 0.00 0.00 34.95 31.78 2kvt s ARG 9 CO 0.54 0.73 0.40 -2.00 0.00 0.00 0.00 175.30 174.98 2kvt s GLU 10 N -0.91 0.32 0.37 3.54 2.12 -1.26 -4.73 118.70 118.14 2kvt s GLU 10 Ca 0.14 0.90 0.08 0.00 0.36 0.00 0.00 54.97 56.45 2kvt s GLU 10 Cb -0.12 0.12 -0.06 0.00 0.26 0.00 0.00 34.13 34.33 2kvt s GLU 10 CO 0.03 -0.35 0.00 0.00 -0.54 0.00 0.00 175.26 174.41 2kvt s ALA 11 N 2.59 3.18 -0.00 6.30 0.00 -1.26 -3.83 121.76 128.73 2kvt s ALA 11 Ca 0.02 -2.12 -0.12 0.00 0.00 0.00 0.00 51.96 49.74 2kvt s ALA 11 Cb -0.13 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.88 2kvt s ALA 11 CO -0.13 -0.01 0.25 1.52 0.00 0.00 0.00 175.76 177.38 2kvt s TYR 12 N -2.61 -0.09 -0.24 0.00 1.13 0.27 -4.99 117.35 110.82 2kvt s TYR 12 Ca 0.35 0.09 -0.09 0.00 -1.41 0.00 0.00 57.07 56.01 2kvt s TYR 12 Cb 0.04 0.04 -0.04 0.00 -1.10 0.00 0.00 41.96 40.90 2kvt s TYR 12 CO 0.19 -0.37 0.13 0.42 -2.51 0.00 0.00 175.55 173.41 2kvt s ILE 13 N -1.47 4.99 -0.21 -3.49 1.01 -1.26 -1.27 121.20 119.49 2kvt s ILE 13 Ca -0.13 0.05 -0.06 0.00 0.00 0.00 0.00 60.65 60.50 2kvt s ILE 13 Cb -0.06 -3.32 -0.03 0.00 0.01 0.00 0.00 42.46 39.06 2kvt s ILE 13 CO 0.03 0.35 0.04 -0.69 0.00 0.00 0.00 174.94 174.67 2kvt s VAL 14 N 1.20 4.32 -0.38 2.92 1.01 0.21 -4.92 120.40 124.76 2kvt s VAL 14 Ca 0.06 -0.18 -0.21 0.00 0.00 0.00 0.00 61.98 61.64 2kvt s VAL 14 Cb -0.14 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.27 2kvt s VAL 14 CO 0.05 0.41 0.69 0.42 0.00 0.00 0.00 175.10 176.66 2kvt s THR 15 N 1.02 4.82 0.29 3.92 -4.23 -1.26 -0.86 115.64 119.34 2kvt s THR 15 Ca 0.03 0.58 0.09 0.00 -1.18 0.00 0.00 61.69 61.22 2kvt s THR 15 Cb -0.14 -4.15 -0.04 0.00 1.34 0.00 0.00 72.50 69.50 2kvt s THR 15 CO 0.03 -0.42 0.03 0.27 -0.54 0.00 0.00 174.62 173.99 2kvt s ILE 16 N 2.88 3.28 -0.08 2.99 -4.36 -0.50 -4.96 121.20 120.45 2kvt s ILE 16 Ca 0.26 -1.87 0.03 0.00 -0.26 0.00 0.00 60.65 58.82 2kvt s ILE 16 Cb -0.14 -2.87 0.01 0.00 1.25 0.00 0.00 42.46 40.70 2kvt s ILE 16 CO 0.17 -0.31 -0.18 -1.83 0.24 0.00 0.00 174.94 173.02 2kvt s GLU 17 N -3.72 2.40 0.39 0.37 -1.05 -1.26 -0.76 118.70 115.08 2kvt s GLU 17 Ca 0.33 -0.66 0.03 0.00 -0.15 0.00 0.00 54.97 54.53 2kvt s GLU 17 Cb -0.05 -1.87 -0.04 0.00 -0.44 0.00 0.00 34.13 31.73 2kvt s GLU 17 CO 0.20 0.11 0.09 0.15 0.95 0.00 0.00 175.26 176.77 2kvt s LYS 18 N 0.49 1.86 2.09 -4.83 1.02 -0.55 -4.91 119.74 114.90 2kvt s LYS 18 Ca -0.17 -2.11 0.00 0.00 0.02 0.00 0.00 55.97 53.72 2kvt s LYS 18 Cb -0.17 -0.77 0.00 0.00 -0.52 0.00 0.00 37.83 36.37 2kvt s LYS 18 CO 0.06 -0.37 0.00 0.41 -0.92 0.00 0.00 175.35 174.53 2kvt n GLY 19 N -0.86 0.72 3.79 -3.33 0.00 -1.26 -0.46 105.19 103.78 2kvt n GLY 19 Ca -0.06 -1.25 -0.39 0.00 0.00 0.00 0.00 46.02 44.32 2kvt n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kvt s LYS 20 N 0.00 4.44 0.24 1.61 -0.14 -1.06 -4.95 119.74 119.88 2kvt s LYS 20 Ca 0.00 1.01 -0.06 0.00 -1.36 0.00 0.00 55.97 55.56 2kvt s LYS 20 Cb 0.00 -3.26 0.42 0.00 -1.68 0.00 0.00 37.83 33.31 2kvt s LYS 20 CO 0.00 0.58 1.71 -1.35 -0.76 0.00 0.00 175.35 175.53 2kvt h PRO 21 N 4.48 0.34 0.41 -1.68 0.11 -2.00 -1.96 132.00 131.70 2kvt h PRO 21 Ca -0.48 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2kvt h PRO 21 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2kvt h PRO 21 CO 0.65 0.23 -0.20 0.78 -0.21 0.00 0.00 178.00 179.25 2kvt h GLY 22 N 0.35 -0.58 -7.64 -0.55 0.00 -2.00 -3.39 103.07 89.28 2kvt h GLY 22 Ca 0.39 0.21 -0.79 0.00 0.00 0.00 0.00 47.33 47.14 2kvt h GLY 22 CO -0.43 -0.21 0.44 1.20 0.00 0.00 0.00 176.54 177.54 2kvt s GLN 23 N -3.85 4.03 0.32 4.80 -1.52 -1.06 -5.04 119.66 117.34 2kvt s GLN 23 Ca -0.11 -2.95 -0.14 0.00 -1.95 0.00 0.00 55.36 50.21 2kvt s GLN 23 Cb 0.01 -4.57 -0.09 0.00 -0.22 0.00 0.00 33.01 28.14 2kvt s GLN 23 CO 0.37 -1.31 0.73 0.95 -0.25 0.00 0.00 175.29 175.78 2kvt s THR 24 N -0.60 4.70 -0.26 -0.19 -4.23 -0.76 -2.56 115.64 111.74 2kvt s THR 24 Ca 0.28 0.90 -0.04 0.00 -1.18 0.00 0.00 61.69 61.65 2kvt s THR 24 Cb -0.09 -3.61 0.01 0.00 1.34 0.00 0.00 72.50 70.14 2kvt s THR 24 CO -0.08 -0.20 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.11 2kvt s VAL 25 N -1.99 3.41 -0.28 2.29 1.01 0.39 -4.92 120.40 120.30 2kvt s VAL 25 Ca 0.54 -0.76 -0.27 0.00 0.00 0.00 0.00 61.98 61.48 2kvt s VAL 25 Cb -0.10 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.59 2kvt s VAL 25 CO 0.18 0.21 0.99 -0.89 0.00 0.00 0.00 175.10 175.59 2kvt s THR 26 N 1.43 4.64 -0.13 3.92 2.01 -1.26 -1.49 115.64 124.77 2kvt s THR 26 Ca 0.02 1.70 -0.02 0.00 0.31 0.00 0.00 61.69 63.71 2kvt s THR 26 Cb -0.16 -4.31 -0.02 0.00 0.01 0.00 0.00 72.50 68.02 2kvt s THR 26 CO -0.02 -0.31 -0.07 0.26 -0.69 0.00 0.00 174.62 173.79 2kvt s TRP 27 N 3.31 2.94 -0.36 4.92 0.52 0.06 -4.82 118.94 125.51 2kvt s TRP 27 Ca 0.41 -0.35 -0.21 0.00 0.02 0.00 0.00 56.10 55.97 2kvt s TRP 27 Cb -0.14 -1.88 0.00 0.00 -1.15 0.00 0.00 33.47 30.31 2kvt s TRP 27 CO 0.11 -0.03 0.65 0.71 0.02 0.00 0.00 176.95 178.41 2kvt s TYR 28 N 0.16 3.14 -0.26 -1.98 1.51 -0.25 -1.40 117.35 118.27 2kvt s TYR 28 Ca -0.04 0.33 -0.09 0.00 -1.01 0.00 0.00 57.07 56.27 2kvt s TYR 28 Cb -0.14 -3.17 -0.04 0.00 -0.11 0.00 0.00 41.96 38.50 2kvt s TYR 28 CO 0.04 -0.65 0.11 -0.65 -1.11 0.00 0.00 175.55 173.29 2kvt s GLN 29 N 2.74 3.77 -0.45 -0.62 -0.21 -0.04 -0.76 119.66 124.10 2kvt s GLN 29 Ca 0.25 -0.42 -0.27 0.00 0.02 0.00 0.00 55.36 54.94 2kvt s GLN 29 Cb -0.14 -3.43 0.03 0.00 1.00 0.00 0.00 33.01 30.46 2kvt s GLN 29 CO 0.15 -0.16 0.99 -1.17 -2.12 0.00 0.00 175.29 172.98 2kvt s LEU 30 N 1.60 3.90 0.33 2.90 2.96 -0.27 -0.62 118.68 129.48 2kvt s LEU 30 Ca 0.06 0.32 0.07 0.00 -0.22 0.00 0.00 54.13 54.37 2kvt s LEU 30 Cb -0.15 -3.32 -0.06 0.00 0.50 0.00 0.00 46.19 43.16 2kvt s LEU 30 CO 0.06 -1.07 -0.04 -0.13 -1.32 0.00 0.00 176.35 173.85 2kvt s ARG 31 N 3.91 1.72 0.25 1.98 0.52 -0.40 -0.40 118.95 126.53 2kvt s ARG 31 Ca 0.41 -1.91 0.01 0.00 -0.52 0.00 0.00 55.73 53.72 2kvt s ARG 31 Cb -0.10 -1.37 -0.04 0.00 0.52 0.00 0.00 34.95 33.97 2kvt s ARG 31 CO 0.26 0.02 0.14 0.00 0.02 0.00 0.00 175.30 175.75 2kvt s ALA 32 N -2.88 1.55 -0.64 2.13 0.00 -1.18 -0.56 121.76 120.18 2kvt s ALA 32 Ca 0.32 -1.79 0.24 0.00 0.00 0.00 0.00 51.96 50.73 2kvt s ALA 32 Cb 0.05 1.27 0.26 0.00 0.00 0.00 0.00 23.12 24.70 2kvt s ALA 32 CO 0.15 -0.55 1.23 -0.25 0.00 0.00 0.00 175.76 176.34 2kvt n ASP 33 N -0.60 0.66 -4.18 0.00 8.00 -1.25 -2.96 116.55 116.22 2kvt n ASP 33 Ca 0.02 0.01 -0.30 0.00 0.71 0.00 0.00 54.79 55.23 2kvt n ASP 33 Cb 0.65 0.36 -0.17 0.00 -0.02 0.00 0.00 41.12 41.95 2kvt n ASP 33 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2kvt s HIS 34 N -3.17 2.28 0.12 1.24 3.76 -1.26 -3.38 115.29 114.88 2kvt s HIS 34 Ca 0.06 -0.88 -0.16 0.00 -0.15 0.00 0.00 55.06 53.93 2kvt s HIS 34 Cb 0.14 -1.54 -0.03 0.00 1.11 0.00 0.00 32.58 32.26 2kvt s HIS 34 CO 0.74 -0.35 1.61 -1.35 -0.85 0.00 0.00 174.74 174.54 2kvt h PRO 35 N 6.65 0.60 -4.39 8.40 0.11 -1.94 -3.49 132.00 137.95 2kvt h PRO 35 Ca -0.24 -0.15 -0.21 0.00 0.11 0.00 0.00 66.00 65.51 2kvt h PRO 35 Cb 1.22 -0.08 -0.19 0.00 0.11 0.00 0.00 31.00 32.06 2kvt h PRO 35 CO 0.47 0.65 -0.71 0.15 -0.21 0.00 0.00 178.00 178.35 2kvt s LYS 36 N -5.25 0.55 0.57 1.05 1.02 -1.22 -5.03 119.74 111.43 2kvt s LYS 36 Ca -0.13 -0.91 0.30 0.00 0.02 0.00 0.00 55.97 55.25 2kvt s LYS 36 Cb 0.10 -0.10 1.44 0.00 -0.52 0.00 0.00 37.83 38.75 2kvt s LYS 36 CO 0.76 -0.01 1.83 -1.35 -0.92 0.00 0.00 175.35 175.66 2kvt h PRO 37 N 4.01 0.00 0.00 -1.68 0.11 -1.65 0.19 132.00 132.98 2kvt h PRO 37 Ca -0.34 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.71 2kvt h PRO 37 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2kvt h PRO 37 CO 0.50 0.00 -0.28 -0.44 -0.21 0.00 0.00 178.00 177.57 2kvt h ASP 38 N 0.00 0.00 -1.60 -2.05 5.19 -1.95 -3.41 116.42 112.60 2kvt h ASP 38 Ca 0.33 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 56.19 2kvt h ASP 38 Cb 1.58 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 41.09 2kvt h ASP 38 CO -0.00 0.28 1.55 -1.20 -3.12 0.00 0.00 179.24 176.75 2kvt n SER 39 N -3.31 2.58 -4.66 6.45 7.64 0.68 -4.94 113.62 118.05 2kvt n SER 39 Ca 0.01 -0.03 -0.38 0.00 1.01 0.00 0.00 58.87 59.48 2kvt n SER 39 Cb 0.52 -1.49 -0.08 0.00 -1.01 0.00 0.00 64.21 62.16 2kvt n SER 39 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2kvt s LEU 40 N 9.66 4.14 -0.18 -3.43 2.96 -1.26 -3.11 118.68 127.47 2kvt s LEU 40 Ca 1.03 0.44 -0.23 0.00 -0.22 0.00 0.00 54.13 55.15 2kvt s LEU 40 Cb -0.40 -2.45 -0.20 0.00 0.50 0.00 0.00 46.19 43.64 2kvt s LEU 40 CO 0.35 -0.06 0.38 0.40 -1.32 0.00 0.00 176.35 176.10 2kvt h ILE 41 N 5.05 1.15 -1.56 6.68 1.08 -1.09 -3.50 117.51 125.32 2kvt h ILE 41 Ca -0.36 -2.14 0.08 0.00 -0.39 0.00 0.00 64.86 62.05 2kvt h ILE 41 Cb 1.16 2.44 -0.23 0.00 -3.07 0.00 0.00 36.82 37.12 2kvt h ILE 41 CO 0.70 0.39 0.54 -0.55 -0.69 0.00 0.00 178.15 178.54 2kvt s SER 42 N -6.52 -0.38 -0.08 1.72 0.15 -1.24 -5.02 113.70 102.33 2kvt s SER 42 Ca -0.24 0.44 -0.02 0.00 0.70 0.00 0.00 55.95 56.84 2kvt s SER 42 Cb 0.02 0.35 -0.03 0.00 -1.71 0.00 0.00 66.02 64.65 2kvt s SER 42 CO 0.59 -0.32 0.00 -1.61 1.20 0.00 0.00 173.24 173.10 2kvt s GLU 43 N -0.98 2.98 0.02 5.44 8.01 -1.26 -1.11 118.70 131.80 2kvt s GLU 43 Ca -0.01 -0.41 -0.00 0.00 0.01 0.00 0.00 54.97 54.55 2kvt s GLU 43 Cb -0.01 -2.79 -0.02 0.00 -4.31 0.00 0.00 34.13 27.00 2kvt s GLU 43 CO 0.01 0.70 -0.03 -1.01 0.01 0.00 0.00 175.26 174.94 2kvt s HIS 44 N -0.90 0.31 0.19 1.61 3.76 0.06 -4.96 115.29 115.36 2kvt s HIS 44 Ca 0.14 -0.60 -0.05 0.00 -0.15 0.00 0.00 55.06 54.40 2kvt s HIS 44 Cb -0.11 -0.22 0.12 0.00 1.11 0.00 0.00 32.58 33.47 2kvt s HIS 44 CO 0.03 -0.21 1.55 -1.35 -0.85 0.00 0.00 174.74 173.90 2kvt h PRO 45 N 4.45 0.69 -6.14 8.40 0.11 -1.87 -0.65 132.00 136.99 2kvt h PRO 45 Ca -0.32 -0.36 -0.64 0.00 0.11 0.00 0.00 66.00 64.78 2kvt h PRO 45 Cb 1.20 0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.23 2kvt h PRO 45 CO 0.44 0.97 -0.60 0.95 -0.21 0.00 0.00 178.00 179.56 2kvt s THR 46 N -4.27 4.56 0.38 -1.15 -4.23 -1.26 -4.72 115.64 104.94 2kvt s THR 46 Ca -0.09 -0.67 0.10 0.00 -1.18 0.00 0.00 61.69 59.86 2kvt s THR 46 Cb 0.12 -3.16 0.12 0.00 1.34 0.00 0.00 72.50 70.92 2kvt s THR 46 CO 0.84 0.19 1.87 0.00 -0.54 0.00 0.00 174.62 176.99 2kvt h ALA 47 N 3.55 1.44 -0.21 3.99 0.00 -1.98 -3.07 119.26 122.97 2kvt h ALA 47 Ca -0.47 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.20 2kvt h ALA 47 Cb 1.17 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2kvt h ALA 47 CO 0.65 0.40 0.02 0.37 0.00 0.00 0.00 179.25 180.69 2kvt h GLN 48 N 0.13 0.09 -0.67 0.00 5.75 -1.99 0.30 115.11 118.73 2kvt h GLN 48 Ca 0.02 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.54 2kvt h GLN 48 Cb 0.51 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.00 2kvt h GLN 48 CO 0.04 0.06 0.42 0.93 -2.65 0.00 0.00 178.83 177.63 2kvt h GLU 49 N 0.10 0.80 -0.43 1.69 5.08 -1.97 -0.43 114.58 119.42 2kvt h GLU 49 Ca 0.10 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2kvt h GLU 49 Cb 0.11 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2kvt h GLU 49 CO -0.15 0.53 0.12 0.00 -1.00 0.00 0.00 179.01 178.51 2kvt h ALA 50 N 1.29 1.40 -0.36 3.43 0.00 -1.29 -1.77 119.26 121.96 2kvt h ALA 50 Ca 0.27 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 2kvt h ALA 50 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2kvt h ALA 50 CO -0.10 0.44 -0.16 0.52 0.00 0.00 0.00 179.25 179.95 2kvt h MET 51 N 0.62 0.75 -0.21 0.00 2.86 0.24 0.21 114.93 119.39 2kvt h MET 51 Ca 0.14 -0.32 0.03 0.00 -2.06 0.00 0.00 59.70 57.50 2kvt h MET 51 Cb 0.22 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 2kvt h MET 51 CO -0.01 0.93 0.01 0.22 1.06 0.00 0.00 176.91 179.13 2kvt h ASP 52 N 0.54 -0.05 -0.45 1.22 1.82 -0.75 0.14 116.42 118.88 2kvt h ASP 52 Ca 0.08 0.04 -0.05 0.00 -0.39 0.00 0.00 57.03 56.71 2kvt h ASP 52 Cb 0.70 0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.76 2kvt h ASP 52 CO 0.05 0.00 0.10 0.00 -1.61 0.00 0.00 179.24 177.78 2kvt h ALA 53 N 1.17 1.21 -0.63 -0.78 0.00 -1.30 -0.87 119.26 118.05 2kvt h ALA 53 Ca 0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2kvt h ALA 53 Cb 0.12 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2kvt h ALA 53 CO -0.16 0.54 0.33 -0.22 0.00 0.00 0.00 179.25 179.74 2kvt h LYS 54 N 0.77 0.89 0.27 0.00 3.64 -0.28 0.06 116.57 121.92 2kvt h LYS 54 Ca 0.17 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2kvt h LYS 54 Cb 0.32 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 2kvt h LYS 54 CO 0.00 0.69 -0.28 0.87 -2.27 0.00 0.00 179.45 178.47 2kvt h LYS 55 N 0.86 -0.56 0.00 1.90 1.57 -0.43 -2.55 116.57 117.36 2kvt h LYS 55 Ca 0.22 0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.04 2kvt h LYS 55 Cb 0.08 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 2kvt h LYS 55 CO -0.03 -0.37 -0.01 -0.09 -0.57 0.00 0.00 179.45 178.38 2kvt h ARG 56 N -0.58 0.00 0.07 3.15 2.43 -0.73 0.85 114.38 119.57 2kvt h ARG 56 Ca -0.01 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2kvt h ARG 56 Cb 0.54 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2kvt h ARG 56 CO -0.07 0.01 -0.04 -0.92 -1.51 0.00 0.00 179.97 177.44 2kvt h TYR 57 N 0.00 -0.09 -0.00 2.20 3.20 -0.86 -3.30 116.97 118.11 2kvt h TYR 57 Ca -0.00 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 2kvt h TYR 57 Cb 0.02 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.32 2kvt h TYR 57 CO 0.00 0.41 -0.02 0.93 -1.64 0.00 0.00 178.16 177.84 2kvt h GLU 58 N -0.93 0.01 -5.92 1.82 5.08 -1.04 -3.38 114.58 110.23 2kvt h GLU 58 Ca -0.01 -0.01 -0.58 0.00 -1.00 0.00 0.00 59.36 57.75 2kvt h GLU 58 Cb 0.54 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.68 2kvt h GLU 58 CO 0.02 0.74 0.82 -0.51 -1.00 0.00 0.00 179.01 179.08 2kvt s ASP 59 N -5.96 6.18 -0.52 1.42 1.01 0.29 -4.78 116.67 114.30 2kvt s ASP 59 Ca -0.17 -0.73 -0.29 0.00 0.71 0.00 0.00 52.55 52.07 2kvt s ASP 59 Cb -0.00 -2.49 0.03 0.00 1.01 0.00 0.00 42.92 41.46 2kvt s ASP 59 CO 0.69 -1.64 1.23 -2.16 0.21 0.00 0.00 175.17 173.49 2kvt s PRO 60 N 4.92 3.56 -1.12 8.23 0.04 -1.26 -3.95 135.00 145.43 2kvt s PRO 60 Ca 0.29 0.47 -0.23 0.00 0.04 0.00 0.00 61.00 61.57 2kvt s PRO 60 Cb -0.12 -3.99 -0.12 0.00 0.04 0.00 0.00 34.50 30.31 2kvt s PRO 60 CO 0.12 -1.60 1.95 -0.25 0.04 0.00 0.00 177.00 177.26 2kvt n ASP 61 N 8.44 2.79 -0.18 6.66 9.92 -1.24 -4.84 116.55 138.10 2kvt n ASP 61 Ca 0.11 -2.67 -0.02 0.00 -0.53 0.00 0.00 54.79 51.68 2kvt n ASP 61 Cb 0.49 -1.67 0.05 0.00 -0.64 0.00 0.00 41.12 39.34 2kvt n ASP 61 CO 0.00 0.00 0.00 0.07 0.13 0.00 0.00 177.20 177.40 2kvt h LYS 62 N 9.79 -0.01 -5.22 -1.24 2.10 -1.93 -3.40 116.57 116.67 2kvt h LYS 62 Ca 0.21 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 58.25 2kvt h LYS 62 Cb 0.92 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.12 2kvt h LYS 62 CO 1.27 -0.01 -0.46 -1.83 -2.00 0.00 0.00 179.45 176.43 2kvt s GLU 63 N -6.22 4.14 0.99 0.07 -1.05 -1.26 -5.09 118.70 110.28 2kvt s GLU 63 Ca -0.14 -0.18 -0.17 0.00 -0.15 0.00 0.00 54.97 54.33 2kvt s GLU 63 Cb 0.18 -3.48 0.23 0.00 -0.44 0.00 0.00 34.13 30.62 2kvt s GLU 63 CO 0.73 0.16 1.23 1.28 0.95 0.00 0.00 175.26 179.60 2kvt n LEU 64 N 3.95 0.00 -4.70 1.83 4.77 -1.26 -5.02 117.00 116.57 2kvt n LEU 64 Ca -0.15 -1.34 -0.35 0.00 -0.03 0.00 0.00 56.01 54.14 2kvt n LEU 64 Cb 0.52 -0.97 0.09 0.00 -2.33 0.00 0.00 43.42 40.73 2kvt n LEU 64 CO 0.37 -1.57 0.82 -0.62 -1.33 0.00 0.00 177.39 175.06 2kvt n GLU 65 N -3.93 0.70 -3.96 3.23 1.02 -1.26 -5.02 120.64 111.42 2kvt n GLU 65 Ca 0.16 0.30 -0.31 0.00 -0.02 0.00 0.00 57.16 57.29 2kvt n GLU 65 Cb 0.56 -2.47 -0.15 0.00 -0.02 0.00 0.00 31.44 29.35 2kvt n GLU 65 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2kvt s HIS 66 N -1.71 2.72 -0.04 -0.32 -3.43 -1.26 -5.11 115.29 106.14 2kvt s HIS 66 Ca 0.78 -2.05 -0.27 0.00 -0.80 0.00 0.00 55.06 52.72 2kvt s HIS 66 Cb -0.34 -1.85 -0.03 0.00 -1.43 0.00 0.00 32.58 28.92 2kvt s HIS 66 CO 0.45 -0.83 0.84 -1.01 -2.00 0.00 0.00 174.74 172.19 2kvt s HIS 67 N 1.28 3.61 -0.04 0.38 0.09 -1.26 -5.05 115.29 114.30 2kvt s HIS 67 Ca -0.03 1.47 -0.01 0.00 -0.00 0.00 0.00 55.06 56.49 2kvt s HIS 67 Cb -0.19 -2.97 0.03 0.00 -0.00 0.00 0.00 32.58 29.45 2kvt s HIS 67 CO -0.08 0.03 0.01 -1.58 -0.00 0.00 0.00 174.74 173.12 2kvt s HIS 68 N 0.96 0.36 0.37 1.40 5.04 -1.26 -5.14 115.29 117.03 2kvt s HIS 68 Ca 0.45 0.01 -0.28 0.00 -1.54 0.00 0.00 55.06 53.69 2kvt s HIS 68 Cb -0.19 -0.53 -0.11 0.00 0.04 0.00 0.00 32.58 31.78 2kvt s HIS 68 CO 0.23 -0.19 1.49 0.72 -2.34 0.00 0.00 174.74 174.64 2kvt n HIS 69 N 4.63 2.97 -4.30 3.88 8.25 -1.26 -5.02 115.22 124.38 2kvt n HIS 69 Ca -0.17 0.44 -0.28 0.00 -0.26 0.00 0.00 57.72 57.45 2kvt n HIS 69 Cb 0.50 -2.53 -0.10 0.00 1.12 0.00 0.00 29.99 28.97 2kvt n HIS 69 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kvt s HIS 70 N -1.06 2.58 0.00 4.41 -3.43 -1.26 -5.35 115.29 111.19 2kvt s HIS 70 Ca 0.54 -0.24 0.00 0.00 -0.80 0.00 0.00 55.06 54.56 2kvt s HIS 70 Cb -0.48 -1.32 0.00 0.00 -1.43 0.00 0.00 32.58 29.35 2kvt s HIS 70 CO 0.63 0.44 0.00 -2.39 -2.00 0.00 0.00 174.74 171.42