#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvt n PRO 2 N 0.00 0.07 -1.69 0.03 -0.04 -1.26 -4.90 135.00 127.21 2kvt n PRO 2 Ca 0.00 0.06 -0.14 0.00 -0.04 0.00 0.00 63.50 63.38 2kvt n PRO 2 Cb 0.00 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 2kvt n PRO 2 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2kvt n THR 3 N -1.46 -0.22 -3.49 0.52 -1.04 -1.26 -4.97 114.28 102.36 2kvt n THR 3 Ca 0.07 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.80 2kvt n THR 3 Cb 0.28 -1.74 -0.13 0.00 -1.82 0.00 0.00 70.33 66.91 2kvt n THR 3 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2kvt s LYS 4 N -3.69 0.38 0.39 -2.82 2.20 -1.26 -5.14 119.74 109.79 2kvt s LYS 4 Ca 0.00 -0.94 -0.14 0.00 -0.36 0.00 0.00 55.97 54.53 2kvt s LYS 4 Cb 0.00 -1.21 -0.08 0.00 -1.51 0.00 0.00 37.83 35.03 2kvt s LYS 4 CO 0.00 -1.12 0.80 -1.25 -0.36 0.00 0.00 175.35 173.42 2kvt s PRO 5 N 1.56 3.94 0.10 4.03 0.05 -1.26 -5.03 135.00 138.39 2kvt s PRO 5 Ca 0.14 0.68 -0.16 0.00 0.05 0.00 0.00 61.00 61.71 2kvt s PRO 5 Cb -0.20 -2.36 -0.07 0.00 0.05 0.00 0.00 34.50 31.93 2kvt s PRO 5 CO -0.17 0.02 1.46 -1.00 0.05 0.00 0.00 177.00 177.36 2kvt h PRO 6 N 1.70 0.65 -2.47 0.56 0.13 -2.03 -3.40 132.00 127.15 2kvt h PRO 6 Ca -0.48 -0.29 -0.59 0.00 -0.87 0.00 0.00 66.00 63.77 2kvt h PRO 6 Cb 1.18 -0.02 -0.39 0.00 0.13 0.00 0.00 31.00 31.91 2kvt h PRO 6 CO 0.64 0.88 -0.92 0.71 -0.23 0.00 0.00 178.00 179.08 2kvt s TYR 7 N -4.58 1.39 -2.77 1.56 2.02 -1.26 -4.94 117.35 108.78 2kvt s TYR 7 Ca -0.13 -2.42 0.26 0.00 -0.37 0.00 0.00 57.07 54.41 2kvt s TYR 7 Cb 0.09 -1.15 0.54 0.00 -0.40 0.00 0.00 41.96 41.04 2kvt s TYR 7 CO 0.81 -0.79 1.46 -0.35 -1.57 0.00 0.00 175.55 175.10 2kvt n PRO 8 N 2.80 2.02 -3.64 -1.71 -0.04 -1.26 -4.98 135.00 128.20 2kvt n PRO 8 Ca 0.27 -1.51 -0.05 0.00 -0.04 0.00 0.00 63.50 62.18 2kvt n PRO 8 Cb 0.46 -1.47 -0.07 0.00 -0.04 0.00 0.00 33.50 32.38 2kvt n PRO 8 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2kvt s ARG 9 N -2.01 0.23 -0.17 0.54 1.70 -1.26 -4.79 118.95 113.19 2kvt s ARG 9 Ca 0.32 0.29 -0.16 0.00 -0.47 0.00 0.00 55.73 55.71 2kvt s ARG 9 Cb 0.20 0.11 0.05 0.00 -0.57 0.00 0.00 34.95 34.74 2kvt s ARG 9 CO 0.32 -0.03 0.46 -2.00 -1.08 0.00 0.00 175.30 172.97 2kvt s GLU 10 N 0.24 0.53 -0.04 3.89 2.12 -1.26 -5.05 118.70 119.13 2kvt s GLU 10 Ca 0.04 0.66 -0.03 0.00 0.36 0.00 0.00 54.97 55.99 2kvt s GLU 10 Cb -0.05 0.24 -0.04 0.00 0.26 0.00 0.00 34.13 34.55 2kvt s GLU 10 CO -0.12 -0.07 0.13 0.00 -0.54 0.00 0.00 175.26 174.66 2kvt s ALA 11 N 0.33 3.80 0.01 6.30 0.00 -1.26 -2.44 121.76 128.50 2kvt s ALA 11 Ca -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.20 2kvt s ALA 11 Cb -0.04 -1.81 -0.01 0.00 0.00 0.00 0.00 23.12 21.27 2kvt s ALA 11 CO -0.00 0.69 -0.02 1.52 0.00 0.00 0.00 175.76 177.95 2kvt s TYR 12 N -1.19 0.15 -0.03 0.00 1.13 0.61 -5.00 117.35 113.02 2kvt s TYR 12 Ca 0.22 -0.23 -0.12 0.00 -1.41 0.00 0.00 57.07 55.53 2kvt s TYR 12 Cb -0.12 -0.10 -0.05 0.00 -1.10 0.00 0.00 41.96 40.58 2kvt s TYR 12 CO 0.13 -0.08 0.33 0.42 -2.51 0.00 0.00 175.55 173.84 2kvt s ILE 13 N -0.63 5.17 -0.01 -3.49 1.01 -1.26 -1.05 121.20 120.94 2kvt s ILE 13 Ca -0.07 0.62 0.07 0.00 0.00 0.00 0.00 60.65 61.27 2kvt s ILE 13 Cb -0.04 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.79 2kvt s ILE 13 CO -0.00 0.56 -0.23 -0.69 0.00 0.00 0.00 174.94 174.58 2kvt s VAL 14 N -1.09 1.81 -0.35 2.92 1.01 0.80 -4.96 120.40 120.54 2kvt s VAL 14 Ca 0.22 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 2kvt s VAL 14 Cb -0.15 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.72 2kvt s VAL 14 CO 0.11 0.48 0.20 0.42 0.00 0.00 0.00 175.10 176.32 2kvt s THR 15 N -0.56 4.83 0.47 3.92 -4.23 -1.26 -0.51 115.64 118.29 2kvt s THR 15 Ca 0.09 -0.52 0.03 0.00 -1.18 0.00 0.00 61.69 60.11 2kvt s THR 15 Cb -0.09 -3.55 -0.03 0.00 1.34 0.00 0.00 72.50 70.17 2kvt s THR 15 CO -0.01 -0.08 0.01 0.27 -0.54 0.00 0.00 174.62 174.28 2kvt s ILE 16 N 1.63 1.33 -0.05 2.99 -4.36 -0.12 -5.00 121.20 117.62 2kvt s ILE 16 Ca 0.04 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.41 2kvt s ILE 16 Cb -0.18 -2.40 0.03 0.00 1.25 0.00 0.00 42.46 41.16 2kvt s ILE 16 CO 0.08 0.00 0.10 -1.83 0.24 0.00 0.00 174.94 173.53 2kvt s GLU 17 N -3.82 0.06 0.29 0.37 -1.05 -1.26 -1.61 118.70 111.68 2kvt s GLU 17 Ca 0.15 0.27 0.11 0.00 -0.15 0.00 0.00 54.97 55.35 2kvt s GLU 17 Cb 0.04 -0.15 -0.05 0.00 -0.44 0.00 0.00 34.13 33.53 2kvt s GLU 17 CO 0.08 -0.13 -0.10 0.15 0.95 0.00 0.00 175.26 176.20 2kvt s LYS 18 N 0.91 1.94 0.00 -4.83 1.02 -0.78 -4.86 119.74 113.15 2kvt s LYS 18 Ca -0.07 -1.67 0.00 0.00 0.02 0.00 0.00 55.97 54.25 2kvt s LYS 18 Cb -0.10 -1.91 0.00 0.00 -0.52 0.00 0.00 37.83 35.30 2kvt s LYS 18 CO -0.04 0.30 0.00 0.41 -0.92 0.00 0.00 175.35 175.10 2kvt n GLY 19 N -0.77 0.30 3.88 -3.33 0.00 -1.26 -0.50 105.19 103.50 2kvt n GLY 19 Ca -0.05 -1.79 -0.31 0.00 0.00 0.00 0.00 46.02 43.86 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 3.80 -0.05 1.61 1.02 -0.79 -4.92 119.74 120.41 2kvt s LYS 20 Ca 0.00 0.34 -0.35 0.00 0.02 0.00 0.00 55.97 55.98 2kvt s LYS 20 Cb 0.00 -2.55 -0.13 0.00 -0.52 0.00 0.00 37.83 34.63 2kvt s LYS 20 CO 0.00 0.19 1.75 -0.35 -0.92 0.00 0.00 175.35 176.02 2kvt n PRO 21 N -0.59 1.94 0.00 -1.68 -0.04 -1.26 -1.71 135.00 131.66 2kvt n PRO 21 Ca 0.01 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 2kvt n PRO 21 Cb 0.53 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 2kvt n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kvt n GLY 22 N 4.01 2.08 3.25 0.55 0.00 -1.26 -4.85 105.19 108.96 2kvt n GLY 22 Ca 0.22 -0.31 -0.44 0.00 0.00 0.00 0.00 46.02 45.49 2kvt n GLY 22 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kvt n GLN 23 N 0.00 3.68 -4.43 1.61 1.13 -0.69 -5.01 117.38 113.67 2kvt n GLN 23 Ca 0.00 -4.16 -0.24 0.00 -1.94 0.00 0.00 57.00 50.66 2kvt n GLN 23 Cb 0.00 -2.75 -0.09 0.00 0.11 0.00 0.00 30.24 27.51 2kvt n GLN 23 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2kvt s THR 24 N -0.46 2.65 -0.15 5.09 -4.23 -1.20 -1.89 115.64 115.45 2kvt s THR 24 Ca 0.36 -2.22 -0.04 0.00 -1.18 0.00 0.00 61.69 58.61 2kvt s THR 24 Cb -0.02 -2.53 -0.03 0.00 1.34 0.00 0.00 72.50 71.26 2kvt s THR 24 CO -0.01 -0.34 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.01 2kvt s VAL 25 N -2.49 3.94 -0.30 2.29 1.01 0.34 -4.88 120.40 120.32 2kvt s VAL 25 Ca 0.31 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 2kvt s VAL 25 Cb -0.03 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.62 2kvt s VAL 25 CO 0.17 0.50 1.29 -0.89 0.00 0.00 0.00 175.10 176.16 2kvt s THR 26 N 0.31 4.17 0.03 3.92 2.01 -1.26 -1.86 115.64 122.96 2kvt s THR 26 Ca -0.03 1.32 0.08 0.00 0.31 0.00 0.00 61.69 63.37 2kvt s THR 26 Cb -0.14 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.17 2kvt s THR 26 CO 0.03 -0.46 -0.21 0.26 -0.69 0.00 0.00 174.62 173.55 2kvt s TRP 27 N 4.29 2.49 -0.27 4.92 0.52 -0.63 -4.64 118.94 125.62 2kvt s TRP 27 Ca 0.55 -0.31 -0.05 0.00 0.02 0.00 0.00 56.10 56.32 2kvt s TRP 27 Cb -0.17 -1.45 0.01 0.00 -1.15 0.00 0.00 33.47 30.71 2kvt s TRP 27 CO 0.22 0.20 0.02 0.71 0.02 0.00 0.00 176.95 178.12 2kvt s TYR 28 N -0.86 3.11 -0.22 -1.98 1.51 0.54 -0.94 117.35 118.51 2kvt s TYR 28 Ca 0.13 -1.17 -0.13 0.00 -1.01 0.00 0.00 57.07 54.89 2kvt s TYR 28 Cb -0.10 -2.17 -0.05 0.00 -0.11 0.00 0.00 41.96 39.53 2kvt s TYR 28 CO 0.04 -0.62 0.26 -0.65 -1.11 0.00 0.00 175.55 173.47 2kvt s GLN 29 N 1.44 4.12 -0.35 -0.62 -0.21 0.33 -1.08 119.66 123.29 2kvt s GLN 29 Ca 0.02 -0.06 -0.21 0.00 0.02 0.00 0.00 55.36 55.14 2kvt s GLN 29 Cb -0.17 -3.53 0.00 0.00 1.00 0.00 0.00 33.01 30.31 2kvt s GLN 29 CO -0.00 0.03 0.65 -1.17 -2.12 0.00 0.00 175.29 172.67 2kvt s LEU 30 N 1.13 4.23 0.13 2.90 2.96 -0.43 -0.14 118.68 129.47 2kvt s LEU 30 Ca 0.13 0.21 0.09 0.00 -0.22 0.00 0.00 54.13 54.34 2kvt s LEU 30 Cb -0.14 -2.81 -0.04 0.00 0.50 0.00 0.00 46.19 43.70 2kvt s LEU 30 CO 0.06 -0.59 -0.22 -0.13 -1.32 0.00 0.00 176.35 174.15 2kvt s ARG 31 N 2.72 1.28 0.35 1.98 0.52 -0.21 -0.18 118.95 125.41 2kvt s ARG 31 Ca 0.25 -1.31 0.07 0.00 -0.52 0.00 0.00 55.73 54.22 2kvt s ARG 31 Cb -0.14 -1.58 -0.07 0.00 0.52 0.00 0.00 34.95 33.67 2kvt s ARG 31 CO 0.14 0.36 -0.02 0.00 0.02 0.00 0.00 175.30 175.80 2kvt s ALA 32 N -1.38 2.83 0.03 2.13 0.00 -0.88 -0.29 121.76 124.20 2kvt s ALA 32 Ca 0.12 -2.14 0.09 0.00 0.00 0.00 0.00 51.96 50.03 2kvt s ALA 32 Cb -0.09 0.20 -0.23 0.00 0.00 0.00 0.00 23.12 23.01 2kvt s ALA 32 CO 0.06 -0.09 0.93 0.38 0.00 0.00 0.00 175.76 177.03 2kvt h ASP 33 N 1.99 0.03 -4.02 0.00 2.03 -1.67 -3.32 116.42 111.45 2kvt h ASP 33 Ca -0.42 -0.05 -0.69 0.00 -0.73 0.00 0.00 57.03 55.14 2kvt h ASP 33 Cb 1.24 -0.01 -0.23 0.00 -0.83 0.00 0.00 39.33 39.50 2kvt h ASP 33 CO 0.74 1.04 -0.83 -1.00 -1.03 0.00 0.00 179.24 178.17 2kvt s HIS 34 N -2.64 2.49 -0.61 4.15 3.76 -1.26 -2.63 115.29 118.55 2kvt s HIS 34 Ca -0.03 -0.30 0.23 0.00 -0.15 0.00 0.00 55.06 54.81 2kvt s HIS 34 Cb 0.09 -1.42 0.92 0.00 1.11 0.00 0.00 32.58 33.27 2kvt s HIS 34 CO 0.82 0.24 1.71 -0.35 -0.85 0.00 0.00 174.74 176.31 2kvt n PRO 35 N 1.50 0.18 -3.72 8.40 -0.04 -1.26 -4.95 135.00 135.12 2kvt n PRO 35 Ca -0.16 0.35 -0.14 0.00 -0.04 0.00 0.00 63.50 63.51 2kvt n PRO 35 Cb 0.52 -1.80 -0.08 0.00 -0.04 0.00 0.00 33.50 32.10 2kvt n PRO 35 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2kvt s LYS 36 N -3.23 0.76 0.60 0.54 -2.85 -1.15 -5.04 119.74 109.36 2kvt s LYS 36 Ca 0.06 -0.16 0.31 0.00 -1.00 0.00 0.00 55.97 55.18 2kvt s LYS 36 Cb 0.10 0.34 1.84 0.00 -2.06 0.00 0.00 37.83 38.05 2kvt s LYS 36 CO 0.42 -0.22 2.22 -1.35 0.10 0.00 0.00 175.35 176.52 2kvt h PRO 37 N 3.62 0.00 -0.03 1.78 0.11 -1.60 -0.17 132.00 135.70 2kvt h PRO 37 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2kvt h PRO 37 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2kvt h PRO 37 CO 0.41 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.95 2kvt n ASP 38 N -3.74 0.44 -4.58 -2.05 9.92 -1.26 -4.55 116.55 110.73 2kvt n ASP 38 Ca -0.02 -1.40 -0.40 0.00 -0.53 0.00 0.00 54.79 52.45 2kvt n ASP 38 Cb 0.15 -0.02 -0.03 0.00 -0.64 0.00 0.00 41.12 40.58 2kvt n ASP 38 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2kvt s SER 39 N -1.70 5.28 -0.42 -2.24 1.04 -0.08 -4.95 113.70 110.64 2kvt s SER 39 Ca 0.34 1.14 -0.20 0.00 0.48 0.00 0.00 55.95 57.70 2kvt s SER 39 Cb 0.16 -2.52 0.02 0.00 0.10 0.00 0.00 66.02 63.78 2kvt s SER 39 CO 0.27 -2.22 0.63 -0.22 0.98 0.00 0.00 173.24 172.67 2kvt s LEU 40 N 9.06 4.46 -0.11 2.42 2.96 -1.26 -2.06 118.68 134.15 2kvt s LEU 40 Ca 0.86 -0.25 -0.24 0.00 -0.22 0.00 0.00 54.13 54.27 2kvt s LEU 40 Cb -0.21 -2.72 -0.21 0.00 0.50 0.00 0.00 46.19 43.56 2kvt s LEU 40 CO 0.29 -0.73 0.77 0.40 -1.32 0.00 0.00 176.35 175.76 2kvt h ILE 41 N 5.82 1.39 -2.07 6.68 1.08 -0.94 -3.50 117.51 125.99 2kvt h ILE 41 Ca -0.26 -1.84 0.13 0.00 -0.39 0.00 0.00 64.86 62.50 2kvt h ILE 41 Cb 1.10 2.54 -0.17 0.00 -3.07 0.00 0.00 36.82 37.22 2kvt h ILE 41 CO 0.87 0.44 0.56 -0.94 -0.69 0.00 0.00 178.15 178.39 2kvt s SER 42 N -5.96 -0.33 -0.19 1.72 1.04 -1.23 -5.01 113.70 103.74 2kvt s SER 42 Ca -0.15 0.04 -0.02 0.00 0.48 0.00 0.00 55.95 56.30 2kvt s SER 42 Cb -0.01 0.33 -0.00 0.00 0.10 0.00 0.00 66.02 66.44 2kvt s SER 42 CO 0.58 -0.53 -0.10 -1.61 0.98 0.00 0.00 173.24 172.56 2kvt s GLU 43 N -2.80 3.26 0.01 4.02 2.02 -1.26 -1.31 118.70 122.63 2kvt s GLU 43 Ca 0.05 -0.70 0.06 0.00 0.02 0.00 0.00 54.97 54.40 2kvt s GLU 43 Cb -0.01 -2.82 -0.02 0.00 0.10 0.00 0.00 34.13 31.39 2kvt s GLU 43 CO -0.07 -0.14 -0.18 -1.01 0.02 0.00 0.00 175.26 173.88 2kvt s HIS 44 N 1.26 1.58 0.21 1.61 3.76 -0.24 -4.94 115.29 118.52 2kvt s HIS 44 Ca 0.03 -0.32 0.17 0.00 -0.15 0.00 0.00 55.06 54.79 2kvt s HIS 44 Cb -0.14 -0.99 0.64 0.00 1.11 0.00 0.00 32.58 33.20 2kvt s HIS 44 CO -0.05 0.01 1.72 -1.00 -0.85 0.00 0.00 174.74 174.57 2kvt h PRO 45 N 5.40 0.00 -6.16 8.40 0.13 -1.86 0.16 132.00 138.06 2kvt h PRO 45 Ca -0.38 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.10 2kvt h PRO 45 Cb 1.16 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.18 2kvt h PRO 45 CO 0.47 0.42 -0.61 0.95 -0.23 0.00 0.00 178.00 178.99 2kvt s THR 46 N -3.66 4.44 0.40 1.56 -4.23 -1.26 -4.67 115.64 108.22 2kvt s THR 46 Ca -0.00 -0.69 0.10 0.00 -1.18 0.00 0.00 61.69 59.92 2kvt s THR 46 Cb 0.12 -3.09 0.16 0.00 1.34 0.00 0.00 72.50 71.03 2kvt s THR 46 CO 0.70 0.21 1.93 0.00 -0.54 0.00 0.00 174.62 176.93 2kvt h ALA 47 N 3.66 1.54 0.24 3.99 0.00 -1.98 -3.06 119.26 123.65 2kvt h ALA 47 Ca -0.48 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2kvt h ALA 47 Cb 1.17 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2kvt h ALA 47 CO 0.63 0.33 -0.25 0.37 0.00 0.00 0.00 179.25 180.33 2kvt h GLN 48 N 0.20 -0.50 -0.81 0.00 5.75 -1.98 0.83 115.11 118.60 2kvt h GLN 48 Ca 0.04 0.03 0.08 0.00 -0.15 0.00 0.00 58.65 58.65 2kvt h GLN 48 Cb 0.36 0.11 -0.07 0.00 1.07 0.00 0.00 27.48 28.96 2kvt h GLN 48 CO 0.02 -0.34 0.48 0.93 -2.65 0.00 0.00 178.83 177.27 2kvt h GLU 49 N -0.52 0.81 -0.71 1.69 5.08 -1.96 -0.12 114.58 118.86 2kvt h GLU 49 Ca -0.00 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2kvt h GLU 49 Cb 0.49 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 2kvt h GLU 49 CO -0.06 0.54 0.33 0.00 -1.00 0.00 0.00 179.01 178.82 2kvt h ALA 50 N 1.42 0.91 -0.06 3.43 0.00 -1.35 0.15 119.26 123.76 2kvt h ALA 50 Ca 0.37 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2kvt h ALA 50 Cb 0.26 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2kvt h ALA 50 CO -0.21 0.49 0.01 0.52 0.00 0.00 0.00 179.25 180.06 2kvt h MET 51 N 0.99 0.10 -0.66 0.00 2.86 -0.22 -0.18 114.93 117.82 2kvt h MET 51 Ca 0.24 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.83 2kvt h MET 51 Cb 0.13 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 2kvt h MET 51 CO -0.03 0.32 0.30 -0.44 1.06 0.00 0.00 176.91 178.12 2kvt h ASP 52 N -0.13 0.86 -0.43 1.22 3.32 -0.91 0.42 116.42 120.77 2kvt h ASP 52 Ca 0.02 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 2kvt h ASP 52 Cb 0.26 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 2kvt h ASP 52 CO 0.00 0.74 0.04 0.00 -1.72 0.00 0.00 179.24 178.30 2kvt h ALA 53 N 1.39 0.58 0.37 3.45 0.00 -0.62 0.58 119.26 125.01 2kvt h ALA 53 Ca 0.23 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2kvt h ALA 53 Cb 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2kvt h ALA 53 CO -0.03 0.33 -0.18 -0.22 0.00 0.00 0.00 179.25 179.15 2kvt h LYS 54 N 0.58 -0.48 -0.51 0.00 3.64 -0.59 -1.31 116.57 117.91 2kvt h LYS 54 Ca 0.13 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.59 2kvt h LYS 54 Cb 0.43 0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.31 2kvt h LYS 54 CO 0.01 -0.27 0.24 0.87 -2.27 0.00 0.00 179.45 178.04 2kvt h LYS 55 N -0.58 0.46 -0.61 1.90 1.57 -0.94 0.10 116.57 118.48 2kvt h LYS 55 Ca -0.05 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.76 2kvt h LYS 55 Cb 0.43 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.58 2kvt h LYS 55 CO 0.08 0.31 0.32 -0.09 -0.57 0.00 0.00 179.45 179.50 2kvt h ARG 56 N 0.48 0.59 -0.13 3.15 2.43 -0.80 -1.43 114.38 118.66 2kvt h ARG 56 Ca 0.23 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 2kvt h ARG 56 Cb 0.15 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 2kvt h ARG 56 CO -0.17 0.39 0.05 -0.92 -1.51 0.00 0.00 179.97 177.81 2kvt h TYR 57 N 0.60 0.20 0.00 2.20 3.20 -0.78 -3.05 116.97 119.34 2kvt h TYR 57 Ca 0.27 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.13 2kvt h TYR 57 Cb 0.18 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.39 2kvt h TYR 57 CO -0.09 0.29 0.00 0.39 -1.64 0.00 0.00 178.16 177.10 2kvt n GLU 58 N -4.89 0.85 -3.26 1.82 -0.58 0.32 -4.73 120.64 110.18 2kvt n GLU 58 Ca -0.05 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.30 2kvt n GLU 58 Cb 0.12 -1.23 -0.06 0.00 -0.57 0.00 0.00 31.44 29.70 2kvt n GLU 58 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2kvt s ASP 59 N -0.61 6.84 0.00 1.62 1.01 -0.61 -4.96 116.67 119.96 2kvt s ASP 59 Ca 0.00 1.01 0.00 0.00 0.71 0.00 0.00 52.55 54.27 2kvt s ASP 59 Cb 0.00 -2.33 0.00 0.00 1.01 0.00 0.00 42.92 41.60 2kvt s ASP 59 CO 0.00 0.05 0.57 -0.81 0.21 0.00 0.00 175.17 175.19 2kvt n PRO 60 N 3.16 0.60 0.10 8.23 -0.04 -1.26 -3.11 135.00 142.68 2kvt n PRO 60 Ca -0.07 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.25 2kvt n PRO 60 Cb 0.51 -1.04 -0.12 0.00 -0.04 0.00 0.00 33.50 32.82 2kvt n PRO 60 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2kvt h ASP 61 N 0.05 0.38 -2.87 3.54 3.58 -1.92 -3.45 116.42 115.72 2kvt h ASP 61 Ca 0.00 -0.39 -0.65 0.00 0.42 0.00 0.00 57.03 56.41 2kvt h ASP 61 Cb 0.04 -0.12 -0.09 0.00 1.72 0.00 0.00 39.33 40.87 2kvt h ASP 61 CO 0.00 1.29 -0.49 -0.75 -2.88 0.00 0.00 179.24 176.41 2kvt s LYS 62 N -2.76 3.68 0.19 0.28 2.20 -1.18 -5.11 119.74 117.05 2kvt s LYS 62 Ca -0.04 -0.17 -0.02 0.00 -0.36 0.00 0.00 55.97 55.38 2kvt s LYS 62 Cb 0.08 -3.26 0.04 0.00 -1.51 0.00 0.00 37.83 33.18 2kvt s LYS 62 CO 0.87 0.61 0.26 0.39 -0.36 0.00 0.00 175.35 177.12 2kvt n GLU 63 N 2.52 0.06 -2.11 4.03 1.02 -1.26 -4.96 120.64 119.93 2kvt n GLU 63 Ca -0.19 -0.52 -0.39 0.00 -0.02 0.00 0.00 57.16 56.04 2kvt n GLU 63 Cb 0.54 -0.23 -0.03 0.00 -0.02 0.00 0.00 31.44 31.70 2kvt n GLU 63 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2kvt s LEU 64 N 0.00 3.27 -0.81 -4.62 1.43 -1.26 -4.91 118.68 111.78 2kvt s LEU 64 Ca 0.16 0.20 -0.26 0.00 -1.03 0.00 0.00 54.13 53.20 2kvt s LEU 64 Cb -0.01 -2.53 -0.10 0.00 0.03 0.00 0.00 46.19 43.58 2kvt s LEU 64 CO 0.11 -2.31 2.24 -0.70 0.23 0.00 0.00 176.35 175.92 2kvt s GLU 65 N 6.86 1.96 -0.51 1.70 2.12 -1.26 -4.81 118.70 124.76 2kvt s GLU 65 Ca 0.63 0.29 -0.01 0.00 0.36 0.00 0.00 54.97 56.24 2kvt s GLU 65 Cb -0.12 -4.85 0.41 0.00 0.26 0.00 0.00 34.13 29.83 2kvt s GLU 65 CO 0.19 -4.00 1.97 -2.39 -0.54 0.00 0.00 175.26 170.50 2kvt n HIS 66 N 16.84 2.65 -2.47 5.30 1.44 -1.26 -4.89 115.22 132.83 2kvt n HIS 66 Ca 0.43 -2.44 -0.41 0.00 -2.01 0.00 0.00 57.72 53.30 2kvt n HIS 66 Cb 0.45 -1.19 -0.03 0.00 0.12 0.00 0.00 29.99 29.35 2kvt n HIS 66 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kvt s HIS 67 N -3.06 2.19 0.00 -1.40 5.04 -1.26 -4.88 115.29 111.92 2kvt s HIS 67 Ca 0.52 0.06 0.00 0.00 -1.54 0.00 0.00 55.06 54.10 2kvt s HIS 67 Cb 0.42 -4.55 0.00 0.00 0.04 0.00 0.00 32.58 28.49 2kvt s HIS 67 CO 0.01 -2.11 1.05 1.58 -2.34 0.00 0.00 174.74 172.93 2kvt n HIS 68 N 9.88 0.00 -1.10 3.88 -0.00 -1.26 -4.74 115.22 121.88 2kvt n HIS 68 Ca 0.06 -0.52 -0.07 0.00 0.46 0.00 0.00 57.72 57.65 2kvt n HIS 68 Cb 0.49 -0.27 -0.03 0.00 -0.12 0.00 0.00 29.99 30.06 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 0.68 -0.07 -1.52 1.57 -0.00 -1.26 -4.85 115.22 109.77 2kvt n HIS 69 Ca 0.00 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.77 2kvt n HIS 69 Cb 0.46 -2.27 -0.02 0.00 -0.12 0.00 0.00 29.99 28.04 2kvt n HIS 69 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kvt n HIS 70 N -1.85 2.98 -0.71 1.57 -0.00 -1.26 -5.34 115.22 110.60 2kvt n HIS 70 Ca -0.07 -2.72 0.00 0.00 -0.00 0.00 0.00 57.72 54.94 2kvt n HIS 70 Cb 0.48 -2.34 0.00 0.00 -0.00 0.00 0.00 29.99 28.12 2kvt n HIS 70 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92