#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 3.73 -0.04 3.17 0.04 -1.26 -5.12 135.00 135.53 2kvt s PRO 2 Ca 0.00 0.14 -0.01 0.00 0.04 0.00 0.00 61.00 61.16 2kvt s PRO 2 Cb 0.00 -2.71 0.03 0.00 0.04 0.00 0.00 34.50 31.86 2kvt s PRO 2 CO 0.00 0.36 0.09 -0.08 0.04 0.00 0.00 177.00 177.41 2kvt s THR 3 N -1.78 -0.05 -0.30 1.26 -1.32 -1.26 -5.13 115.64 107.06 2kvt s THR 3 Ca 0.45 0.19 -0.02 0.00 -1.21 0.00 0.00 61.69 61.10 2kvt s THR 3 Cb -0.11 -0.16 0.05 0.00 -1.51 0.00 0.00 72.50 70.77 2kvt s THR 3 CO 0.23 0.08 0.00 -0.54 -2.21 0.00 0.00 174.62 172.18 2kvt s LYS 4 N 1.07 2.42 0.78 7.08 1.02 -1.26 -5.12 119.74 125.73 2kvt s LYS 4 Ca -0.09 -1.27 -0.11 0.00 0.02 0.00 0.00 55.97 54.52 2kvt s LYS 4 Cb -0.12 -3.19 0.06 0.00 -0.52 0.00 0.00 37.83 34.07 2kvt s LYS 4 CO -0.04 -0.63 1.08 -1.25 -0.92 0.00 0.00 175.35 173.60 2kvt s PRO 5 N 1.25 2.23 0.61 -1.68 0.04 -1.26 -4.94 135.00 131.26 2kvt s PRO 5 Ca -0.05 0.99 0.34 0.00 0.04 0.00 0.00 61.00 62.32 2kvt s PRO 5 Cb -0.20 -1.91 1.99 0.00 0.04 0.00 0.00 34.50 34.43 2kvt s PRO 5 CO -0.01 -1.61 2.28 -1.00 0.04 0.00 0.00 177.00 176.70 2kvt h PRO 6 N -1.09 0.00 -3.19 0.56 0.13 -2.09 -3.29 132.00 123.02 2kvt h PRO 6 Ca -0.45 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.05 2kvt h PRO 6 Cb 1.24 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.96 2kvt h PRO 6 CO 0.54 0.00 -0.66 0.71 -0.23 0.00 0.00 178.00 178.36 2kvt s TYR 7 N -4.49 2.88 0.86 1.56 1.51 -1.26 -5.12 117.35 113.28 2kvt s TYR 7 Ca -0.05 -2.99 -0.10 0.00 -1.01 0.00 0.00 57.07 52.92 2kvt s TYR 7 Cb 0.14 -2.50 0.11 0.00 -0.11 0.00 0.00 41.96 39.61 2kvt s TYR 7 CO 0.51 -0.72 1.12 -2.14 -1.11 0.00 0.00 175.55 173.20 2kvt s PRO 8 N -0.33 1.48 -1.06 -1.71 0.02 -1.24 -4.92 135.00 127.23 2kvt s PRO 8 Ca 0.19 1.33 -0.22 0.00 0.02 0.00 0.00 61.00 62.32 2kvt s PRO 8 Cb -0.21 -1.80 0.06 0.00 0.02 0.00 0.00 34.50 32.58 2kvt s PRO 8 CO -0.04 -2.24 1.48 -0.98 -0.33 0.00 0.00 177.00 174.90 2kvt s ARG 9 N -4.77 3.67 -0.02 5.54 1.70 -1.26 -4.89 118.95 118.92 2kvt s ARG 9 Ca 0.64 -1.33 0.06 0.00 -0.47 0.00 0.00 55.73 54.63 2kvt s ARG 9 Cb -0.20 -5.36 -0.01 0.00 -0.57 0.00 0.00 34.95 28.81 2kvt s ARG 9 CO 0.57 -2.18 -0.20 -2.00 -1.08 0.00 0.00 175.30 170.41 2kvt s GLU 10 N 4.66 1.72 0.39 3.89 2.12 -1.26 -4.65 118.70 125.57 2kvt s GLU 10 Ca 0.46 -0.72 0.04 0.00 0.36 0.00 0.00 54.97 55.11 2kvt s GLU 10 Cb 0.00 -1.62 -0.03 0.00 0.26 0.00 0.00 34.13 32.74 2kvt s GLU 10 CO -0.07 0.40 0.10 0.00 -0.54 0.00 0.00 175.26 175.15 2kvt s ALA 11 N -0.37 2.82 0.38 6.30 0.00 -1.26 -3.57 121.76 126.06 2kvt s ALA 11 Ca 0.05 -1.41 -0.08 0.00 0.00 0.00 0.00 51.96 50.53 2kvt s ALA 11 Cb -0.09 0.69 0.03 0.00 0.00 0.00 0.00 23.12 23.76 2kvt s ALA 11 CO 0.00 -0.32 0.63 1.52 0.00 0.00 0.00 175.76 177.60 2kvt s TYR 12 N -3.23 0.68 0.06 0.00 -0.85 0.71 -4.97 117.35 109.77 2kvt s TYR 12 Ca 0.26 -1.12 0.09 0.00 -0.52 0.00 0.00 57.07 55.77 2kvt s TYR 12 Cb 0.04 0.34 -0.03 0.00 0.38 0.00 0.00 41.96 42.69 2kvt s TYR 12 CO 0.14 -1.38 -0.22 0.42 -1.52 0.00 0.00 175.55 172.99 2kvt s ILE 13 N -2.54 2.51 -0.12 -3.49 1.01 -1.26 -1.86 121.20 115.44 2kvt s ILE 13 Ca 0.24 -1.37 0.00 0.00 0.00 0.00 0.00 60.65 59.53 2kvt s ILE 13 Cb -0.03 -2.05 0.02 0.00 0.01 0.00 0.00 42.46 40.42 2kvt s ILE 13 CO 0.17 0.29 -0.10 -0.69 0.00 0.00 0.00 174.94 174.61 2kvt s VAL 14 N -0.93 1.18 -0.34 2.92 1.01 0.49 -4.94 120.40 119.79 2kvt s VAL 14 Ca 0.14 -0.40 -0.23 0.00 0.00 0.00 0.00 61.98 61.49 2kvt s VAL 14 Cb -0.10 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.12 2kvt s VAL 14 CO 0.05 0.39 0.75 0.42 0.00 0.00 0.00 175.10 176.71 2kvt s THR 15 N 1.54 4.79 0.47 3.92 -4.23 -1.26 -0.47 115.64 120.39 2kvt s THR 15 Ca 0.03 0.91 0.03 0.00 -1.18 0.00 0.00 61.69 61.48 2kvt s THR 15 Cb -0.13 -4.16 -0.04 0.00 1.34 0.00 0.00 72.50 69.52 2kvt s THR 15 CO -0.08 -0.35 0.02 0.27 -0.54 0.00 0.00 174.62 173.94 2kvt s ILE 16 N 2.97 1.36 0.00 2.99 -4.36 0.34 -4.99 121.20 119.52 2kvt s ILE 16 Ca 0.30 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.75 2kvt s ILE 16 Cb -0.14 -2.44 -0.02 0.00 1.25 0.00 0.00 42.46 41.11 2kvt s ILE 16 CO 0.15 0.00 -0.19 -1.61 0.24 0.00 0.00 174.94 173.53 2kvt s GLU 17 N -3.82 1.49 0.36 0.37 2.02 -1.26 -1.03 118.70 116.84 2kvt s GLU 17 Ca 0.17 -0.76 0.04 0.00 0.02 0.00 0.00 54.97 54.43 2kvt s GLU 17 Cb 0.04 -1.49 -0.03 0.00 0.10 0.00 0.00 34.13 32.75 2kvt s GLU 17 CO 0.09 0.40 0.13 0.15 0.02 0.00 0.00 175.26 176.05 2kvt s LYS 18 N -0.68 1.79 0.00 1.61 1.02 -0.46 -4.90 119.74 118.12 2kvt s LYS 18 Ca 0.07 -2.06 0.00 0.00 0.02 0.00 0.00 55.97 54.01 2kvt s LYS 18 Cb -0.08 -0.46 0.00 0.00 -0.52 0.00 0.00 37.83 36.77 2kvt s LYS 18 CO 0.00 -0.44 0.00 0.41 -0.92 0.00 0.00 175.35 174.40 2kvt n GLY 19 N -0.77 1.06 3.84 -3.33 0.00 -1.26 -0.37 105.19 104.36 2kvt n GLY 19 Ca -0.03 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.09 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 4.05 0.50 1.61 1.02 -0.61 -4.96 119.74 121.35 2kvt s LYS 20 Ca 0.00 0.63 0.24 0.00 0.02 0.00 0.00 55.97 56.86 2kvt s LYS 20 Cb 0.00 -2.74 1.32 0.00 -0.52 0.00 0.00 37.83 35.88 2kvt s LYS 20 CO 0.00 0.34 1.93 -1.00 -0.92 0.00 0.00 175.35 175.70 2kvt h PRO 21 N 3.02 0.13 0.03 -1.68 0.13 -2.02 -2.47 132.00 129.15 2kvt h PRO 21 Ca -0.48 -0.01 -0.38 0.00 -0.87 0.00 0.00 66.00 64.26 2kvt h PRO 21 Cb 1.18 -0.03 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 2kvt h PRO 21 CO 0.66 0.09 -2.25 0.41 -0.23 0.00 0.00 178.00 176.68 2kvt n GLY 22 N -1.62 -0.47 3.34 1.56 0.00 -1.26 -4.76 105.19 101.97 2kvt n GLY 22 Ca 0.15 -0.17 -0.46 0.00 0.00 0.00 0.00 46.02 45.54 2kvt n GLY 22 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kvt s GLN 23 N -2.51 3.90 0.26 1.61 -1.52 -0.94 -5.05 119.66 115.41 2kvt s GLN 23 Ca -0.32 -2.82 -0.07 0.00 -1.95 0.00 0.00 55.36 50.21 2kvt s GLN 23 Cb 0.09 -4.51 -0.06 0.00 -0.22 0.00 0.00 33.01 28.32 2kvt s GLN 23 CO 0.63 -1.28 0.54 0.95 -0.25 0.00 0.00 175.29 175.88 2kvt s THR 24 N -0.46 5.00 0.06 -0.19 -4.23 -1.17 -1.58 115.64 113.08 2kvt s THR 24 Ca 0.25 0.20 0.09 0.00 -1.18 0.00 0.00 61.69 61.05 2kvt s THR 24 Cb -0.10 -3.69 -0.03 0.00 1.34 0.00 0.00 72.50 70.03 2kvt s THR 24 CO -0.08 -0.22 -0.25 -0.69 -0.54 0.00 0.00 174.62 172.84 2kvt s VAL 25 N -1.97 2.05 -0.03 2.29 1.01 0.50 -4.92 120.40 119.33 2kvt s VAL 25 Ca 0.45 -1.42 -0.30 0.00 0.00 0.00 0.00 61.98 60.71 2kvt s VAL 25 Cb -0.11 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 2kvt s VAL 25 CO 0.27 0.27 1.05 -0.89 0.00 0.00 0.00 175.10 175.80 2kvt s THR 26 N -0.86 4.63 0.07 3.92 2.01 -1.26 -1.35 115.64 122.80 2kvt s THR 26 Ca 0.11 1.90 0.04 0.00 0.31 0.00 0.00 61.69 64.05 2kvt s THR 26 Cb -0.10 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.16 2kvt s THR 26 CO 0.03 0.08 -0.12 0.26 -0.69 0.00 0.00 174.62 174.18 2kvt s TRP 27 N 1.49 1.08 -0.19 4.92 0.52 -0.20 -4.73 118.94 121.82 2kvt s TRP 27 Ca 0.52 -0.51 0.00 0.00 0.02 0.00 0.00 56.10 56.14 2kvt s TRP 27 Cb -0.22 -0.61 0.02 0.00 -1.15 0.00 0.00 33.47 31.51 2kvt s TRP 27 CO 0.24 0.02 -0.17 0.71 0.02 0.00 0.00 176.95 177.78 2kvt s TYR 28 N -1.55 2.85 -0.20 -1.98 1.51 0.95 -0.50 117.35 118.42 2kvt s TYR 28 Ca -0.02 -1.60 -0.10 0.00 -1.01 0.00 0.00 57.07 54.34 2kvt s TYR 28 Cb -0.08 -1.95 -0.05 0.00 -0.11 0.00 0.00 41.96 39.77 2kvt s TYR 28 CO 0.02 -0.78 0.12 -0.65 -1.11 0.00 0.00 175.55 173.15 2kvt s GLN 29 N 1.30 4.15 -0.42 -0.62 -0.21 0.38 -0.71 119.66 123.55 2kvt s GLN 29 Ca 0.04 -0.24 -0.23 0.00 0.02 0.00 0.00 55.36 54.95 2kvt s GLN 29 Cb -0.14 -3.39 0.02 0.00 1.00 0.00 0.00 33.01 30.50 2kvt s GLN 29 CO -0.11 0.29 0.75 -1.17 -2.12 0.00 0.00 175.29 172.93 2kvt s LEU 30 N 0.38 4.24 0.13 2.90 2.96 0.06 -0.38 118.68 128.97 2kvt s LEU 30 Ca 0.07 0.02 0.07 0.00 -0.22 0.00 0.00 54.13 54.07 2kvt s LEU 30 Cb -0.11 -2.94 -0.04 0.00 0.50 0.00 0.00 46.19 43.60 2kvt s LEU 30 CO -0.01 -0.82 -0.17 -0.13 -1.32 0.00 0.00 176.35 173.90 2kvt s ARG 31 N 3.13 1.12 0.02 1.98 0.52 -0.78 -0.50 118.95 124.44 2kvt s ARG 31 Ca 0.29 -1.27 0.03 0.00 -0.52 0.00 0.00 55.73 54.26 2kvt s ARG 31 Cb -0.13 -1.13 -0.02 0.00 0.52 0.00 0.00 34.95 34.20 2kvt s ARG 31 CO 0.20 0.23 -0.09 0.00 0.02 0.00 0.00 175.30 175.66 2kvt s ALA 32 N -1.91 0.71 0.12 2.13 0.00 -1.21 -0.21 121.76 121.40 2kvt s ALA 32 Ca 0.10 -0.60 0.32 0.00 0.00 0.00 0.00 51.96 51.79 2kvt s ALA 32 Cb -0.06 -0.08 1.64 0.00 0.00 0.00 0.00 23.12 24.62 2kvt s ALA 32 CO 0.04 0.10 1.97 -0.44 0.00 0.00 0.00 175.76 177.43 2kvt h ASP 33 N 5.16 0.00 -3.31 0.00 5.19 -1.78 -3.22 116.42 118.46 2kvt h ASP 33 Ca -0.34 0.00 -0.67 0.00 -0.62 0.00 0.00 57.03 55.40 2kvt h ASP 33 Cb 1.19 0.00 -0.33 0.00 0.18 0.00 0.00 39.33 40.37 2kvt h ASP 33 CO 0.45 0.00 -0.88 -1.00 -3.12 0.00 0.00 179.24 174.69 2kvt s HIS 34 N -3.75 2.55 -0.57 4.55 3.76 -1.26 -3.14 115.29 117.42 2kvt s HIS 34 Ca -0.02 -1.10 0.24 0.00 -0.15 0.00 0.00 55.06 54.03 2kvt s HIS 34 Cb 0.09 -1.71 0.55 0.00 1.11 0.00 0.00 32.58 32.62 2kvt s HIS 34 CO 0.35 -0.46 1.68 -1.00 -0.85 0.00 0.00 174.74 174.45 2kvt h PRO 35 N 6.87 0.00 -3.51 8.40 0.13 -1.96 -3.48 132.00 138.44 2kvt h PRO 35 Ca -0.23 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.72 2kvt h PRO 35 Cb 1.23 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.11 2kvt h PRO 35 CO 0.49 0.00 -0.57 0.15 -0.23 0.00 0.00 178.00 177.84 2kvt s LYS 36 N -3.16 0.24 0.00 0.86 1.02 -1.19 -5.05 119.74 112.47 2kvt s LYS 36 Ca 0.09 -0.04 0.15 0.00 0.02 0.00 0.00 55.97 56.19 2kvt s LYS 36 Cb 0.08 0.10 0.69 0.00 -0.52 0.00 0.00 37.83 38.19 2kvt s LYS 36 CO 0.64 -0.04 1.47 -0.35 -0.92 0.00 0.00 175.35 176.14 2kvt n PRO 37 N 2.50 0.07 0.00 -1.68 -0.04 -1.22 -0.92 135.00 133.72 2kvt n PRO 37 Ca -0.16 0.21 0.12 0.00 -0.04 0.00 0.00 63.50 63.63 2kvt n PRO 37 Cb 0.58 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.74 2kvt n PRO 37 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2kvt n ASP 38 N -1.43 2.40 -4.57 3.54 5.75 -1.26 -4.65 116.55 116.32 2kvt n ASP 38 Ca 0.05 -1.75 -0.41 0.00 -0.01 0.00 0.00 54.79 52.67 2kvt n ASP 38 Cb 0.16 0.08 -0.03 0.00 -1.03 0.00 0.00 41.12 40.30 2kvt n ASP 38 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2kvt s SER 39 N -2.10 5.78 -0.18 -1.12 0.15 -0.10 -4.98 113.70 111.15 2kvt s SER 39 Ca 0.29 0.45 -0.26 0.00 0.70 0.00 0.00 55.95 57.13 2kvt s SER 39 Cb 0.20 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.96 2kvt s SER 39 CO 0.36 -1.96 0.90 -0.22 1.20 0.00 0.00 173.24 173.52 2kvt s LEU 40 N 7.29 4.16 -0.17 3.45 2.96 -1.26 -3.28 118.68 131.81 2kvt s LEU 40 Ca 0.62 1.24 -0.16 0.00 -0.22 0.00 0.00 54.13 55.61 2kvt s LEU 40 Cb -0.13 -3.33 -0.13 0.00 0.50 0.00 0.00 46.19 43.10 2kvt s LEU 40 CO 0.24 -0.48 0.11 0.40 -1.32 0.00 0.00 176.35 175.31 2kvt h ILE 41 N 5.27 0.61 -2.71 6.68 1.08 -1.17 -3.50 117.51 123.77 2kvt h ILE 41 Ca -0.27 -1.70 -0.04 0.00 -0.39 0.00 0.00 64.86 62.47 2kvt h ILE 41 Cb 1.11 1.40 -0.14 0.00 -3.07 0.00 0.00 36.82 36.11 2kvt h ILE 41 CO 0.87 0.21 0.18 -0.55 -0.69 0.00 0.00 178.15 178.17 2kvt s SER 42 N -6.32 -0.57 -0.03 1.72 0.15 -1.24 -5.03 113.70 102.39 2kvt s SER 42 Ca -0.21 0.21 0.07 0.00 0.70 0.00 0.00 55.95 56.72 2kvt s SER 42 Cb 0.03 0.57 -0.02 0.00 -1.71 0.00 0.00 66.02 64.89 2kvt s SER 42 CO 0.43 -0.84 -0.24 -1.61 1.20 0.00 0.00 173.24 172.17 2kvt s GLU 43 N -2.91 2.22 -0.03 5.44 2.02 -1.26 -0.76 118.70 123.42 2kvt s GLU 43 Ca -0.03 -0.90 -0.04 0.00 0.02 0.00 0.00 54.97 54.02 2kvt s GLU 43 Cb -0.01 -2.10 0.01 0.00 0.10 0.00 0.00 34.13 32.13 2kvt s GLU 43 CO -0.05 0.54 0.11 -1.01 0.02 0.00 0.00 175.26 174.87 2kvt s HIS 44 N -0.56 -0.06 -0.58 1.61 3.76 0.12 -5.00 115.29 114.57 2kvt s HIS 44 Ca 0.08 0.14 0.25 0.00 -0.15 0.00 0.00 55.06 55.39 2kvt s HIS 44 Cb -0.11 0.00 0.89 0.00 1.11 0.00 0.00 32.58 34.48 2kvt s HIS 44 CO -0.00 -0.12 1.75 -1.00 -0.85 0.00 0.00 174.74 174.52 2kvt h PRO 45 N 5.47 0.00 -6.72 8.40 0.13 -1.85 0.27 132.00 137.71 2kvt h PRO 45 Ca -0.27 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.18 2kvt h PRO 45 Cb 1.20 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.13 2kvt h PRO 45 CO 0.43 0.00 -0.81 0.95 -0.23 0.00 0.00 178.00 178.33 2kvt s THR 46 N -3.22 2.72 0.17 1.56 -4.23 -1.26 -4.68 115.64 106.71 2kvt s THR 46 Ca 0.07 -1.46 -0.12 0.00 -1.18 0.00 0.00 61.69 59.00 2kvt s THR 46 Cb 0.11 -2.21 0.07 0.00 1.34 0.00 0.00 72.50 71.80 2kvt s THR 46 CO 0.51 0.16 1.72 0.00 -0.54 0.00 0.00 174.62 176.48 2kvt h ALA 47 N 3.97 0.76 -0.46 3.99 0.00 -1.98 -3.10 119.26 122.43 2kvt h ALA 47 Ca -0.49 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.29 2kvt h ALA 47 Cb 1.16 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2kvt h ALA 47 CO 0.45 0.38 0.21 0.37 0.00 0.00 0.00 179.25 180.66 2kvt h GLN 48 N 0.81 0.40 -0.44 0.00 5.75 -1.99 -0.81 115.11 118.84 2kvt h GLN 48 Ca 0.19 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.68 2kvt h GLN 48 Cb 0.21 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 2kvt h GLN 48 CO -0.02 0.27 0.29 0.93 -2.65 0.00 0.00 178.83 177.65 2kvt h GLU 49 N 0.41 0.55 -0.27 1.69 5.08 -1.96 0.47 114.58 120.56 2kvt h GLU 49 Ca 0.21 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.45 2kvt h GLU 49 Cb 0.15 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2kvt h GLU 49 CO -0.17 0.37 -0.18 0.00 -1.00 0.00 0.00 179.01 178.03 2kvt h ALA 50 N 1.73 0.38 -0.49 3.43 0.00 -1.15 -0.33 119.26 122.83 2kvt h ALA 50 Ca 0.17 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2kvt h ALA 50 Cb -0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2kvt h ALA 50 CO -0.04 0.30 0.07 0.52 0.00 0.00 0.00 179.25 180.10 2kvt h MET 51 N 0.32 0.81 -0.16 0.00 2.86 -0.75 -0.64 114.93 117.38 2kvt h MET 51 Ca 0.05 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 2kvt h MET 51 Cb 0.71 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 2kvt h MET 51 CO 0.05 0.82 0.06 0.22 1.06 0.00 0.00 176.91 179.12 2kvt h ASP 52 N 0.68 0.22 -0.95 1.22 1.82 -0.92 -2.20 116.42 116.29 2kvt h ASP 52 Ca 0.15 -0.18 0.04 0.00 -0.39 0.00 0.00 57.03 56.64 2kvt h ASP 52 Cb 0.41 -0.06 -0.06 0.00 0.68 0.00 0.00 39.33 40.31 2kvt h ASP 52 CO 0.01 0.35 0.62 0.00 -1.61 0.00 0.00 179.24 178.61 2kvt h ALA 53 N 0.88 1.40 -0.68 -0.78 0.00 -1.00 -0.98 119.26 118.10 2kvt h ALA 53 Ca 0.05 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.00 2kvt h ALA 53 Cb 0.20 -0.33 -0.07 0.00 0.00 0.00 0.00 17.79 17.59 2kvt h ALA 53 CO -0.00 0.51 0.34 -0.22 0.00 0.00 0.00 179.25 179.87 2kvt h LYS 54 N 1.19 0.57 -0.67 0.00 3.64 -0.86 -1.46 116.57 118.98 2kvt h LYS 54 Ca 0.38 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.69 2kvt h LYS 54 Cb 0.03 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 2kvt h LYS 54 CO -0.12 0.38 0.28 0.87 -2.27 0.00 0.00 179.45 178.59 2kvt h LYS 55 N 0.59 1.00 -0.55 1.90 1.57 -0.64 -1.71 116.57 118.74 2kvt h LYS 55 Ca 0.33 -0.18 0.10 0.00 -1.87 0.00 0.00 60.65 59.03 2kvt h LYS 55 Cb 0.32 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 2kvt h LYS 55 CO -0.25 0.83 0.37 0.00 -0.57 0.00 0.00 179.45 179.83 2kvt h ARG 56 N 0.95 0.30 0.09 3.15 -0.00 -0.25 0.47 114.38 119.09 2kvt h ARG 56 Ca 0.23 -0.02 -0.27 0.00 -0.50 0.00 0.00 59.98 59.41 2kvt h ARG 56 Cb 0.19 -0.07 0.02 0.00 0.00 0.00 0.00 29.97 30.11 2kvt h ARG 56 CO -0.02 0.20 -1.16 -0.92 0.00 0.00 0.00 179.97 178.07 2kvt h TYR 57 N 0.31 0.78 0.00 3.04 3.20 -0.84 -3.32 116.97 120.14 2kvt h TYR 57 Ca 0.26 -0.49 -0.09 0.00 3.14 0.00 0.00 58.73 61.55 2kvt h TYR 57 Cb 0.60 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 2kvt h TYR 57 CO -0.00 1.34 -1.40 0.39 -1.64 0.00 0.00 178.16 176.85 2kvt n GLU 58 N -3.72 0.62 -2.11 1.82 1.02 -0.68 -4.79 120.64 112.80 2kvt n GLU 58 Ca -0.11 0.10 -0.32 0.00 -0.02 0.00 0.00 57.16 56.81 2kvt n GLU 58 Cb 0.95 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 2kvt n GLU 58 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2kvt s ASP 59 N -5.39 6.01 0.00 1.62 1.01 0.16 -4.93 116.67 115.15 2kvt s ASP 59 Ca -0.03 1.72 0.04 0.00 0.71 0.00 0.00 52.55 54.99 2kvt s ASP 59 Cb 0.10 -2.52 0.20 0.00 1.01 0.00 0.00 42.92 41.71 2kvt s ASP 59 CO 0.82 -1.01 0.99 -0.81 0.21 0.00 0.00 175.17 175.37 2kvt n PRO 60 N -1.99 0.05 -0.08 8.23 -0.04 -1.26 -2.22 135.00 137.70 2kvt n PRO 60 Ca 0.08 0.28 -0.06 0.00 -0.04 0.00 0.00 63.50 63.76 2kvt n PRO 60 Cb 0.53 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.62 2kvt n PRO 60 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2kvt h ASP 61 N 0.00 0.73 -2.09 3.54 3.32 -1.91 -3.37 116.42 116.63 2kvt h ASP 61 Ca 0.00 -0.23 -0.53 0.00 0.02 0.00 0.00 57.03 56.28 2kvt h ASP 61 Cb 0.04 -0.20 -0.07 0.00 0.22 0.00 0.00 39.33 39.32 2kvt h ASP 61 CO 0.00 0.89 1.15 -0.75 -1.72 0.00 0.00 179.24 178.82 2kvt s LYS 62 N -4.71 3.14 0.87 3.56 2.47 -0.94 -5.01 119.74 119.13 2kvt s LYS 62 Ca -0.09 -0.23 -0.12 0.00 -1.56 0.00 0.00 55.97 53.97 2kvt s LYS 62 Cb 0.14 -4.39 0.12 0.00 -1.46 0.00 0.00 37.83 32.23 2kvt s LYS 62 CO 0.82 -2.28 1.13 -1.83 0.16 0.00 0.00 175.35 173.35 2kvt s GLU 63 N 5.88 1.45 -0.43 4.03 -1.05 -1.26 -4.93 118.70 122.38 2kvt s GLU 63 Ca 0.42 0.34 -0.27 0.00 -0.15 0.00 0.00 54.97 55.31 2kvt s GLU 63 Cb -0.08 -1.87 -0.05 0.00 -0.44 0.00 0.00 34.13 31.69 2kvt s GLU 63 CO 0.12 -2.00 2.18 -0.51 0.95 0.00 0.00 175.26 176.00 2kvt s LEU 64 N -5.92 3.40 -0.13 1.83 1.02 -1.26 -4.82 118.68 112.80 2kvt s LEU 64 Ca 0.63 1.14 0.14 0.00 0.02 0.00 0.00 54.13 56.06 2kvt s LEU 64 Cb -0.14 -2.87 0.62 0.00 0.02 0.00 0.00 46.19 43.83 2kvt s LEU 64 CO 0.53 -2.43 1.49 1.21 0.02 0.00 0.00 176.35 177.17 2kvt n GLU 65 N 8.91 3.60 -2.40 1.70 2.13 -1.26 -4.89 120.64 128.43 2kvt n GLU 65 Ca 0.30 -2.44 -0.43 0.00 0.66 0.00 0.00 57.16 55.26 2kvt n GLU 65 Cb 0.51 -1.91 -0.02 0.00 0.27 0.00 0.00 31.44 30.29 2kvt n GLU 65 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2kvt s HIS 66 N -2.03 2.79 0.02 4.31 3.76 -1.26 -4.95 115.29 117.92 2kvt s HIS 66 Ca 0.43 0.96 -0.31 0.00 -0.15 0.00 0.00 55.06 55.98 2kvt s HIS 66 Cb 0.30 -3.56 -0.10 0.00 1.11 0.00 0.00 32.58 30.32 2kvt s HIS 66 CO 0.18 -1.80 1.92 0.72 -0.85 0.00 0.00 174.74 174.91 2kvt n HIS 67 N 6.75 2.47 -1.57 1.40 8.25 -1.26 -4.84 115.22 126.42 2kvt n HIS 67 Ca 0.14 -0.23 -0.50 0.00 -0.26 0.00 0.00 57.72 56.87 2kvt n HIS 67 Cb 0.45 -2.75 -0.06 0.00 1.12 0.00 0.00 29.99 28.75 2kvt n HIS 67 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kvt n HIS 68 N 6.95 1.94 -3.17 4.41 -0.00 -1.26 -2.00 115.22 122.09 2kvt n HIS 68 Ca 0.20 0.15 -0.22 0.00 0.46 0.00 0.00 57.72 58.32 2kvt n HIS 68 Cb 0.37 -2.60 0.01 0.00 -0.12 0.00 0.00 29.99 27.66 2kvt n HIS 68 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kvt n HIS 69 N 8.61 -1.84 -2.53 1.57 -0.00 -1.26 -0.99 115.22 118.78 2kvt n HIS 69 Ca 0.32 0.46 -0.15 0.00 -0.00 0.00 0.00 57.72 58.35 2kvt n HIS 69 Cb 0.27 -3.58 0.01 0.00 -0.00 0.00 0.00 29.99 26.69 2kvt n HIS 69 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kvt n HIS 70 N -4.15 -1.03 1.04 1.57 -0.00 -0.85 -5.32 115.22 106.49 2kvt n HIS 70 Ca -0.06 0.18 0.12 0.00 -0.00 0.00 0.00 57.72 57.95 2kvt n HIS 70 Cb 0.58 -3.29 0.13 0.00 -0.00 0.00 0.00 29.99 27.42 2kvt n HIS 70 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92