#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 0.76 -1.62 0.03 -0.02 -1.26 -4.93 135.00 127.96 2kvt n PRO 2 Ca 0.00 0.00 -0.48 0.00 -2.02 0.00 0.00 63.50 61.00 2kvt n PRO 2 Cb 0.00 -1.12 -0.05 0.00 -0.02 0.00 0.00 33.50 32.31 2kvt n PRO 2 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2kvt n THR 3 N 1.19 0.46 -3.63 3.45 -1.04 -1.26 -4.96 114.28 108.49 2kvt n THR 3 Ca 0.00 -0.19 -0.36 0.00 -2.04 0.00 0.00 64.05 61.46 2kvt n THR 3 Cb 0.38 -1.92 -0.08 0.00 -1.82 0.00 0.00 70.33 66.89 2kvt n THR 3 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2kvt s LYS 4 N 4.86 4.17 -0.03 -2.82 -0.14 -1.26 -5.07 119.74 119.45 2kvt s LYS 4 Ca 0.98 -0.13 -0.30 0.00 -1.36 0.00 0.00 55.97 55.16 2kvt s LYS 4 Cb -0.68 -3.47 -0.07 0.00 -1.68 0.00 0.00 37.83 31.93 2kvt s LYS 4 CO 0.49 0.18 1.76 -2.14 -0.76 0.00 0.00 175.35 174.88 2kvt s PRO 5 N 0.69 4.16 0.82 -1.68 0.02 -1.26 -5.00 135.00 132.76 2kvt s PRO 5 Ca 0.11 2.32 -0.11 0.00 0.02 0.00 0.00 61.00 63.34 2kvt s PRO 5 Cb -0.13 -4.04 0.08 0.00 0.02 0.00 0.00 34.50 30.43 2kvt s PRO 5 CO 0.02 -0.89 1.10 -1.25 -0.33 0.00 0.00 177.00 175.65 2kvt s PRO 6 N 4.18 1.89 -0.41 5.54 0.04 -1.26 -5.02 135.00 139.96 2kvt s PRO 6 Ca 0.78 1.14 -0.12 0.00 0.04 0.00 0.00 61.00 62.85 2kvt s PRO 6 Cb -0.36 -1.86 0.05 0.00 0.04 0.00 0.00 34.50 32.37 2kvt s PRO 6 CO 0.33 -1.90 0.27 0.71 0.04 0.00 0.00 177.00 176.45 2kvt s TYR 7 N -2.87 3.27 -0.38 0.56 1.51 -1.26 -5.04 117.35 113.13 2kvt s TYR 7 Ca 0.62 -1.11 -0.27 0.00 -1.01 0.00 0.00 57.07 55.31 2kvt s TYR 7 Cb -0.18 -2.75 -0.06 0.00 -0.11 0.00 0.00 41.96 38.87 2kvt s TYR 7 CO 0.57 -0.74 2.28 -2.14 -1.11 0.00 0.00 175.55 174.41 2kvt s PRO 8 N 1.54 2.57 -0.92 -1.71 0.02 -1.26 -4.90 135.00 130.34 2kvt s PRO 8 Ca 0.03 1.61 -0.21 0.00 0.02 0.00 0.00 61.00 62.45 2kvt s PRO 8 Cb -0.21 -4.48 0.09 0.00 0.02 0.00 0.00 34.50 29.92 2kvt s PRO 8 CO 0.05 -2.74 1.22 0.50 -0.33 0.00 0.00 177.00 175.71 2kvt s ARG 9 N 7.35 3.51 -0.12 5.54 3.52 -1.26 -4.84 118.95 132.67 2kvt s ARG 9 Ca 0.97 -1.35 0.00 0.00 -0.13 0.00 0.00 55.73 55.22 2kvt s ARG 9 Cb -0.23 -4.94 -0.02 0.00 -1.56 0.00 0.00 34.95 28.20 2kvt s ARG 9 CO 0.30 -1.95 -0.13 -1.21 -0.81 0.00 0.00 175.30 171.50 2kvt s GLU 10 N 3.79 3.23 0.15 5.12 2.02 -1.26 -4.55 118.70 127.20 2kvt s GLU 10 Ca 0.36 -0.68 0.06 0.00 0.02 0.00 0.00 54.97 54.72 2kvt s GLU 10 Cb -0.05 -2.59 -0.04 0.00 0.10 0.00 0.00 34.13 31.55 2kvt s GLU 10 CO -0.06 0.29 -0.13 0.00 0.02 0.00 0.00 175.26 175.38 2kvt s ALA 11 N 0.15 1.61 0.05 5.21 0.00 -1.26 -2.27 121.76 125.25 2kvt s ALA 11 Ca -0.07 -1.46 -0.15 0.00 0.00 0.00 0.00 51.96 50.27 2kvt s ALA 11 Cb -0.15 -0.03 0.03 0.00 0.00 0.00 0.00 23.12 22.96 2kvt s ALA 11 CO 0.05 0.02 0.35 1.52 0.00 0.00 0.00 175.76 177.70 2kvt s TYR 12 N -2.80 -0.17 -0.20 0.00 1.13 0.90 -4.98 117.35 111.24 2kvt s TYR 12 Ca 0.15 0.05 -0.12 0.00 -1.41 0.00 0.00 57.07 55.75 2kvt s TYR 12 Cb -0.01 0.15 -0.05 0.00 -1.10 0.00 0.00 41.96 40.95 2kvt s TYR 12 CO 0.03 -0.54 0.22 0.42 -2.51 0.00 0.00 175.55 173.17 2kvt s ILE 13 N -2.62 5.34 -0.02 -3.49 1.01 -1.26 -0.93 121.20 119.23 2kvt s ILE 13 Ca -0.04 0.36 0.05 0.00 0.00 0.00 0.00 60.65 61.02 2kvt s ILE 13 Cb -0.01 -3.56 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 2kvt s ILE 13 CO -0.04 0.38 -0.17 -0.69 0.00 0.00 0.00 174.94 174.42 2kvt s VAL 14 N 0.66 2.82 -0.20 2.92 1.01 0.13 -4.96 120.40 122.78 2kvt s VAL 14 Ca 0.12 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 61.08 2kvt s VAL 14 Cb -0.13 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 2kvt s VAL 14 CO 0.02 0.51 0.10 0.42 0.00 0.00 0.00 175.10 176.15 2kvt s THR 15 N -0.78 5.05 0.36 3.92 -4.23 -1.26 -0.21 115.64 118.49 2kvt s THR 15 Ca 0.12 0.06 0.04 0.00 -1.18 0.00 0.00 61.69 60.73 2kvt s THR 15 Cb -0.10 -3.30 -0.03 0.00 1.34 0.00 0.00 72.50 70.40 2kvt s THR 15 CO 0.02 0.43 0.15 0.27 -0.54 0.00 0.00 174.62 174.94 2kvt s ILE 16 N 0.57 0.50 -0.01 2.99 -4.36 -0.11 -5.00 121.20 115.78 2kvt s ILE 16 Ca 0.05 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.45 2kvt s ILE 16 Cb -0.12 -2.45 0.00 0.00 1.25 0.00 0.00 42.46 41.14 2kvt s ILE 16 CO 0.01 0.00 -0.03 -1.83 0.24 0.00 0.00 174.94 173.33 2kvt s GLU 17 N -3.73 0.31 0.26 0.37 -1.05 -1.26 -0.91 118.70 112.69 2kvt s GLU 17 Ca 0.30 -0.09 0.06 0.00 -0.15 0.00 0.00 54.97 55.08 2kvt s GLU 17 Cb 0.04 -0.33 -0.06 0.00 -0.44 0.00 0.00 34.13 33.34 2kvt s GLU 17 CO 0.17 0.04 -0.04 0.15 0.95 0.00 0.00 175.26 176.52 2kvt s LYS 18 N 0.13 1.47 0.00 -4.83 1.02 -0.58 -4.89 119.74 112.07 2kvt s LYS 18 Ca -0.01 -1.74 0.00 0.00 0.02 0.00 0.00 55.97 54.24 2kvt s LYS 18 Cb -0.04 -0.97 0.00 0.00 -0.52 0.00 0.00 37.83 36.30 2kvt s LYS 18 CO -0.00 -0.00 0.00 0.41 -0.92 0.00 0.00 175.35 174.83 2kvt n GLY 19 N -0.52 1.05 3.89 -3.33 0.00 -1.26 -0.75 105.19 104.26 2kvt n GLY 19 Ca -0.05 -1.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.03 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 3.68 0.38 1.61 1.02 -1.23 -4.97 119.74 120.22 2kvt s LYS 20 Ca 0.00 0.39 -0.27 0.00 0.02 0.00 0.00 55.97 56.11 2kvt s LYS 20 Cb 0.00 -2.36 -0.10 0.00 -0.52 0.00 0.00 37.83 34.85 2kvt s LYS 20 CO 0.00 -0.14 1.33 -1.25 -0.92 0.00 0.00 175.35 174.37 2kvt s PRO 21 N -4.28 4.11 0.00 -1.68 0.04 -1.26 -3.08 135.00 128.85 2kvt s PRO 21 Ca 0.50 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.78 2kvt s PRO 21 Cb -0.10 -2.89 0.00 0.00 0.04 0.00 0.00 34.50 31.55 2kvt s PRO 21 CO 0.38 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 177.43 2kvt n GLY 22 N 0.68 1.50 2.99 0.56 0.00 -1.26 -4.69 105.19 104.97 2kvt n GLY 22 Ca 0.02 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 3.78 -3.35 1.61 1.13 -1.24 -5.00 117.38 114.31 2kvt n GLN 23 Ca 0.00 -3.83 -0.25 0.00 -1.94 0.00 0.00 57.00 50.98 2kvt n GLN 23 Cb 0.00 -2.83 -0.01 0.00 0.11 0.00 0.00 30.24 27.50 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 -0.24 5.09 -0.17 5.09 -4.23 -1.18 -3.55 115.64 116.45 2kvt s THR 24 Ca 0.38 -0.37 -0.04 0.00 -1.18 0.00 0.00 61.69 60.48 2kvt s THR 24 Cb 0.06 -3.84 -0.03 0.00 1.34 0.00 0.00 72.50 70.03 2kvt s THR 24 CO 0.02 -0.53 -0.02 -0.69 -0.54 0.00 0.00 174.62 172.85 2kvt s VAL 25 N -2.30 3.89 -0.28 2.29 1.01 0.07 -4.90 120.40 120.18 2kvt s VAL 25 Ca 0.41 -0.35 -0.29 0.00 0.00 0.00 0.00 61.98 61.75 2kvt s VAL 25 Cb -0.10 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.56 2kvt s VAL 25 CO 0.36 0.47 1.24 -0.89 0.00 0.00 0.00 175.10 176.27 2kvt s THR 26 N 0.62 4.25 -0.13 3.92 2.01 -1.26 -1.53 115.64 123.52 2kvt s THR 26 Ca -0.02 1.44 -0.01 0.00 0.31 0.00 0.00 61.69 63.41 2kvt s THR 26 Cb -0.14 -4.20 -0.02 0.00 0.01 0.00 0.00 72.50 68.15 2kvt s THR 26 CO 0.02 -0.43 -0.10 0.26 -0.69 0.00 0.00 174.62 173.69 2kvt s TRP 27 N 4.07 2.88 -0.36 4.92 0.52 -0.09 -4.66 118.94 126.22 2kvt s TRP 27 Ca 0.53 -0.47 -0.16 0.00 0.02 0.00 0.00 56.10 56.02 2kvt s TRP 27 Cb -0.16 -1.86 -0.00 0.00 -1.15 0.00 0.00 33.47 30.29 2kvt s TRP 27 CO 0.20 -0.10 0.39 0.71 0.02 0.00 0.00 176.95 178.16 2kvt s TYR 28 N 0.23 3.20 -0.28 -1.98 2.02 0.42 -0.93 117.35 120.03 2kvt s TYR 28 Ca -0.06 -0.09 -0.16 0.00 -0.37 0.00 0.00 57.07 56.38 2kvt s TYR 28 Cb -0.15 -2.73 -0.03 0.00 -0.40 0.00 0.00 41.96 38.65 2kvt s TYR 28 CO 0.04 -0.50 0.44 -0.65 -1.57 0.00 0.00 175.55 173.31 2kvt s GLN 29 N 2.06 3.98 -0.53 -0.62 -0.21 0.71 -1.04 119.66 124.01 2kvt s GLN 29 Ca 0.12 0.10 -0.26 0.00 0.02 0.00 0.00 55.36 55.34 2kvt s GLN 29 Cb -0.17 -3.68 0.03 0.00 1.00 0.00 0.00 33.01 30.20 2kvt s GLN 29 CO 0.12 -0.35 1.03 -1.17 -2.12 0.00 0.00 175.29 172.80 2kvt s LEU 30 N 2.19 3.83 0.28 2.90 2.96 -0.39 -0.69 118.68 129.76 2kvt s LEU 30 Ca 0.17 -0.01 0.09 0.00 -0.22 0.00 0.00 54.13 54.16 2kvt s LEU 30 Cb -0.16 -3.10 -0.04 0.00 0.50 0.00 0.00 46.19 43.39 2kvt s LEU 30 CO 0.10 -1.27 0.06 -0.13 -1.32 0.00 0.00 176.35 173.79 2kvt s ARG 31 N 4.26 2.39 0.33 1.98 0.52 -0.10 0.06 118.95 128.39 2kvt s ARG 31 Ca 0.38 -1.41 0.07 0.00 -0.52 0.00 0.00 55.73 54.25 2kvt s ARG 31 Cb -0.10 -2.21 -0.07 0.00 0.52 0.00 0.00 34.95 33.10 2kvt s ARG 31 CO 0.24 0.30 -0.03 0.00 0.02 0.00 0.00 175.30 175.83 2kvt s ALA 32 N -2.33 2.70 -0.05 2.13 0.00 -0.44 -0.07 121.76 123.70 2kvt s ALA 32 Ca 0.33 -2.07 -0.05 0.00 0.00 0.00 0.00 51.96 50.17 2kvt s ALA 32 Cb -0.06 0.20 -0.28 0.00 0.00 0.00 0.00 23.12 22.99 2kvt s ALA 32 CO 0.21 -0.08 0.65 0.22 0.00 0.00 0.00 175.76 176.76 2kvt h ASP 33 N 2.07 0.44 -3.77 0.00 3.58 -1.65 -3.32 116.42 113.76 2kvt h ASP 33 Ca -0.42 -0.73 -0.68 0.00 0.42 0.00 0.00 57.03 55.63 2kvt h ASP 33 Cb 1.24 -0.14 -0.19 0.00 1.72 0.00 0.00 39.33 41.96 2kvt h ASP 33 CO 0.72 1.63 -0.78 -1.00 -2.88 0.00 0.00 179.24 176.92 2kvt s HIS 34 N -2.59 2.61 -1.89 0.28 3.76 -1.26 -2.71 115.29 113.49 2kvt s HIS 34 Ca -0.14 -0.22 0.30 0.00 -0.15 0.00 0.00 55.06 54.84 2kvt s HIS 34 Cb 0.06 -1.42 1.54 0.00 1.11 0.00 0.00 32.58 33.87 2kvt s HIS 34 CO 0.83 0.34 2.03 -0.35 -0.85 0.00 0.00 174.74 176.74 2kvt n PRO 35 N 1.11 0.92 -3.82 8.40 -0.04 -1.26 -4.93 135.00 135.38 2kvt n PRO 35 Ca -0.15 -0.20 -0.13 0.00 -0.04 0.00 0.00 63.50 62.97 2kvt n PRO 35 Cb 0.52 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.34 2kvt n PRO 35 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2kvt s LYS 36 N -2.22 0.01 0.63 0.54 -0.14 -1.21 -5.02 119.74 112.33 2kvt s LYS 36 Ca 0.38 0.12 0.40 0.00 -1.36 0.00 0.00 55.97 55.52 2kvt s LYS 36 Cb 0.21 -0.10 2.16 0.00 -1.68 0.00 0.00 37.83 38.42 2kvt s LYS 36 CO 0.41 -0.08 2.29 -1.00 -0.76 0.00 0.00 175.35 176.21 2kvt h PRO 37 N 6.64 0.00 -0.00 -1.68 0.13 -1.60 -0.17 132.00 135.31 2kvt h PRO 37 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2kvt h PRO 37 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2kvt h PRO 37 CO 0.48 0.01 -0.01 -0.25 -0.23 0.00 0.00 178.00 178.01 2kvt n ASP 38 N -3.21 0.05 -4.55 1.44 9.92 -1.26 -4.47 116.55 114.46 2kvt n ASP 38 Ca -0.02 -0.57 -0.29 0.00 -0.53 0.00 0.00 54.79 53.38 2kvt n ASP 38 Cb 0.12 -0.14 -0.04 0.00 -0.64 0.00 0.00 41.12 40.41 2kvt n ASP 38 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2kvt s SER 39 N -2.30 4.30 -0.56 -2.24 0.15 -0.08 -4.91 113.70 108.06 2kvt s SER 39 Ca 0.37 0.68 -0.27 0.00 0.70 0.00 0.00 55.95 57.43 2kvt s SER 39 Cb 0.21 -2.52 0.03 0.00 -1.71 0.00 0.00 66.02 62.03 2kvt s SER 39 CO 0.42 -3.19 1.13 -0.22 1.20 0.00 0.00 173.24 172.59 2kvt s LEU 40 N 12.89 3.60 -0.04 3.45 2.96 -1.26 -1.33 118.68 138.95 2kvt s LEU 40 Ca 0.94 0.05 -0.25 0.00 -0.22 0.00 0.00 54.13 54.65 2kvt s LEU 40 Cb -0.15 -3.13 -0.19 0.00 0.50 0.00 0.00 46.19 43.22 2kvt s LEU 40 CO 0.19 -1.40 1.09 0.40 -1.32 0.00 0.00 176.35 175.31 2kvt h ILE 41 N 6.14 1.21 -1.42 6.68 1.08 -0.72 -3.49 117.51 126.98 2kvt h ILE 41 Ca -0.25 -1.23 0.12 0.00 -0.39 0.00 0.00 64.86 63.12 2kvt h ILE 41 Cb 1.06 1.98 -0.24 0.00 -3.07 0.00 0.00 36.82 36.54 2kvt h ILE 41 CO 1.16 0.29 0.65 -0.55 -0.69 0.00 0.00 178.15 179.02 2kvt s SER 42 N -5.63 -0.28 -0.09 1.72 0.15 -1.20 -5.03 113.70 103.35 2kvt s SER 42 Ca -0.15 0.32 -0.05 0.00 0.70 0.00 0.00 55.95 56.77 2kvt s SER 42 Cb 0.01 0.25 -0.04 0.00 -1.71 0.00 0.00 66.02 64.53 2kvt s SER 42 CO 0.60 -0.25 0.11 -1.61 1.20 0.00 0.00 173.24 173.29 2kvt s GLU 43 N -1.02 3.29 -0.05 5.44 2.02 -1.26 -1.26 118.70 125.86 2kvt s GLU 43 Ca 0.01 -0.25 -0.05 0.00 0.02 0.00 0.00 54.97 54.70 2kvt s GLU 43 Cb -0.01 -3.05 0.01 0.00 0.10 0.00 0.00 34.13 31.18 2kvt s GLU 43 CO -0.01 0.74 0.14 -1.01 0.02 0.00 0.00 175.26 175.14 2kvt s HIS 44 N -1.05 -0.13 -0.76 1.61 3.76 -0.20 -4.99 115.29 113.53 2kvt s HIS 44 Ca 0.17 0.32 0.22 0.00 -0.15 0.00 0.00 55.06 55.62 2kvt s HIS 44 Cb -0.12 0.04 0.89 0.00 1.11 0.00 0.00 32.58 34.50 2kvt s HIS 44 CO 0.06 -0.10 1.69 -0.35 -0.85 0.00 0.00 174.74 175.19 2kvt n PRO 45 N 2.81 0.12 -4.98 8.40 -0.04 -1.26 -0.44 135.00 139.62 2kvt n PRO 45 Ca -0.14 0.27 -0.28 0.00 -0.04 0.00 0.00 63.50 63.31 2kvt n PRO 45 Cb 0.59 -1.70 -0.15 0.00 -0.04 0.00 0.00 33.50 32.20 2kvt n PRO 45 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2kvt s THR 46 N -3.14 1.82 0.34 0.52 -4.23 -1.26 -4.75 115.64 104.95 2kvt s THR 46 Ca 0.08 -1.10 0.09 0.00 -1.18 0.00 0.00 61.69 59.58 2kvt s THR 46 Cb 0.11 -1.54 0.08 0.00 1.34 0.00 0.00 72.50 72.50 2kvt s THR 46 CO 0.42 0.41 1.79 0.00 -0.54 0.00 0.00 174.62 176.70 2kvt h ALA 47 N 5.28 1.28 -0.50 3.99 0.00 -1.96 -2.95 119.26 124.40 2kvt h ALA 47 Ca -0.42 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 54.23 2kvt h ALA 47 Cb 1.14 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 2kvt h ALA 47 CO 0.46 0.50 0.14 0.37 0.00 0.00 0.00 179.25 180.72 2kvt h GLN 48 N 0.17 0.29 -0.90 0.00 -0.00 -1.98 0.29 115.11 112.98 2kvt h GLN 48 Ca 0.02 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.65 2kvt h GLN 48 Cb 0.65 -0.07 -0.04 0.00 0.00 0.00 0.00 27.48 28.02 2kvt h GLN 48 CO 0.05 0.19 0.54 0.93 0.00 0.00 0.00 178.83 180.54 2kvt h GLU 49 N 0.30 1.23 -0.56 1.69 4.39 -1.93 0.34 114.58 120.03 2kvt h GLU 49 Ca 0.24 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.76 2kvt h GLU 49 Cb 0.29 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 2kvt h GLU 49 CO -0.28 0.86 0.08 0.00 -1.16 0.00 0.00 179.01 178.51 2kvt h ALA 50 N 1.35 1.08 0.12 3.43 0.00 -1.09 -1.12 119.26 123.03 2kvt h ALA 50 Ca 0.32 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2kvt h ALA 50 Cb -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2kvt h ALA 50 CO -0.06 0.59 -0.06 0.52 0.00 0.00 0.00 179.25 180.25 2kvt h MET 51 N 0.86 -0.15 -0.89 0.00 2.86 0.06 0.10 114.93 117.77 2kvt h MET 51 Ca 0.18 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.88 2kvt h MET 51 Cb 0.39 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.03 2kvt h MET 51 CO 0.01 0.24 0.56 -0.44 1.06 0.00 0.00 176.91 178.34 2kvt h ASP 52 N -0.58 0.89 -0.55 1.22 5.19 -0.93 0.16 116.42 121.81 2kvt h ASP 52 Ca -0.02 0.01 -0.11 0.00 -0.62 0.00 0.00 57.03 56.30 2kvt h ASP 52 Cb 0.46 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.77 2kvt h ASP 52 CO 0.03 0.57 -0.09 0.00 -3.12 0.00 0.00 179.24 176.63 2kvt h ALA 53 N 1.41 0.75 0.76 3.45 0.00 -1.22 -2.52 119.26 121.90 2kvt h ALA 53 Ca 0.38 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2kvt h ALA 53 Cb 0.15 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.75 2kvt h ALA 53 CO -0.17 0.66 -0.36 -0.22 0.00 0.00 0.00 179.25 179.16 2kvt h LYS 54 N 0.91 -0.98 -0.77 0.00 3.64 -0.07 0.88 116.57 120.17 2kvt h LYS 54 Ca 0.14 0.07 0.09 0.00 -1.27 0.00 0.00 60.65 59.68 2kvt h LYS 54 Cb 0.66 0.22 -0.05 0.00 -0.41 0.00 0.00 32.23 32.65 2kvt h LYS 54 CO 0.05 -0.64 0.51 1.57 -2.27 0.00 0.00 179.45 178.67 2kvt h LYS 55 N -1.16 0.70 0.00 1.90 2.10 -0.81 0.68 116.57 119.97 2kvt h LYS 55 Ca -0.10 -0.04 -0.14 0.00 -2.00 0.00 0.00 60.65 58.37 2kvt h LYS 55 Cb 0.80 -0.16 -0.02 0.00 -0.90 0.00 0.00 32.23 31.95 2kvt h LYS 55 CO 0.17 0.46 -0.68 -0.09 -2.00 0.00 0.00 179.45 177.31 2kvt h ARG 56 N 0.72 0.00 0.17 0.07 2.43 -1.41 -3.24 114.38 113.12 2kvt h ARG 56 Ca 0.35 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 59.26 2kvt h ARG 56 Cb 0.42 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.99 2kvt h ARG 56 CO -0.13 0.64 -1.20 -0.92 -1.51 0.00 0.00 179.97 176.85 2kvt h TYR 57 N 0.00 0.67 0.00 2.20 3.20 0.15 -3.19 116.97 120.00 2kvt h TYR 57 Ca -0.01 -0.49 0.00 0.00 3.14 0.00 0.00 58.73 61.37 2kvt h TYR 57 Cb 1.51 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.75 2kvt h TYR 57 CO 0.00 1.46 0.00 0.39 -1.64 0.00 0.00 178.16 178.37 2kvt n GLU 58 N -3.93 0.01 -3.93 1.82 1.02 0.14 -4.44 120.64 111.32 2kvt n GLU 58 Ca -0.18 0.38 -0.37 0.00 -0.02 0.00 0.00 57.16 56.98 2kvt n GLU 58 Cb 0.94 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.79 2kvt n GLU 58 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2kvt s ASP 59 N -2.97 6.22 0.00 1.62 2.15 -1.22 -4.80 116.67 117.67 2kvt s ASP 59 Ca 0.03 0.41 0.00 0.00 0.43 0.00 0.00 52.55 53.42 2kvt s ASP 59 Cb 0.04 -2.00 0.00 0.00 -0.30 0.00 0.00 42.92 40.66 2kvt s ASP 59 CO 0.12 0.38 0.81 -0.81 -0.17 0.00 0.00 175.17 175.50 2kvt n PRO 60 N 2.15 0.00 0.06 4.34 -0.04 -1.26 -3.03 135.00 137.22 2kvt n PRO 60 Ca -0.19 0.32 -0.12 0.00 -0.04 0.00 0.00 63.50 63.47 2kvt n PRO 60 Cb 0.55 -1.52 -0.07 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.00 -0.10 -3.43 3.54 3.58 -1.89 -3.40 116.42 114.73 2kvt h ASP 61 Ca 0.00 0.01 -0.60 0.00 0.42 0.00 0.00 57.03 56.86 2kvt h ASP 61 Cb 0.05 0.04 -0.10 0.00 1.72 0.00 0.00 39.33 41.03 2kvt h ASP 61 CO 0.00 -0.06 0.43 -0.54 -2.88 0.00 0.00 179.24 176.19 2kvt s LYS 62 N -6.18 3.97 0.47 0.28 -0.14 -1.17 -5.04 119.74 111.93 2kvt s LYS 62 Ca -0.13 0.62 0.00 0.00 -1.36 0.00 0.00 55.97 55.09 2kvt s LYS 62 Cb 0.06 -3.73 -0.00 0.00 -1.68 0.00 0.00 37.83 32.48 2kvt s LYS 62 CO 0.66 -0.70 0.01 -0.85 -0.76 0.00 0.00 175.35 173.71 2kvt n GLU 63 N 6.26 0.83 -3.21 1.68 0.28 -1.26 -4.84 120.64 120.38 2kvt n GLU 63 Ca 0.04 -3.45 -0.01 0.00 -0.16 0.00 0.00 57.16 53.58 2kvt n GLU 63 Cb 0.48 0.99 -0.02 0.00 1.43 0.00 0.00 31.44 34.32 2kvt n GLU 63 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 2kvt s LEU 64 N 0.00 -1.39 0.74 -1.84 2.34 -1.26 -5.17 118.68 112.10 2kvt s LEU 64 Ca 0.01 -0.89 -0.05 0.00 0.06 0.00 0.00 54.13 53.27 2kvt s LEU 64 Cb 0.00 1.83 0.11 0.00 -0.56 0.00 0.00 46.19 47.58 2kvt s LEU 64 CO 0.01 -0.17 1.03 -1.83 -1.06 0.00 0.00 176.35 174.33 2kvt s GLU 65 N 1.78 1.72 -0.23 1.48 -1.05 -1.26 -5.11 118.70 116.02 2kvt s GLU 65 Ca 0.17 -0.73 -0.03 0.00 -0.15 0.00 0.00 54.97 54.23 2kvt s GLU 65 Cb -0.05 -2.22 0.12 0.00 -0.44 0.00 0.00 34.13 31.54 2kvt s GLU 65 CO -0.07 -1.49 0.33 -3.38 0.95 0.00 0.00 175.26 171.61 2kvt s HIS 66 N -3.26 -0.66 0.13 4.83 -3.43 -1.26 -5.00 115.29 106.64 2kvt s HIS 66 Ca 0.65 0.68 0.21 0.00 -0.80 0.00 0.00 55.06 55.81 2kvt s HIS 66 Cb -0.07 -0.08 0.76 0.00 -1.43 0.00 0.00 32.58 31.76 2kvt s HIS 66 CO 0.45 -0.67 1.76 0.45 -2.00 0.00 0.00 174.74 174.74 2kvt h HIS 67 N 8.22 0.00 -2.65 0.38 3.86 -2.09 -3.43 115.15 119.44 2kvt h HIS 67 Ca -0.19 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 58.91 2kvt h HIS 67 Cb 1.15 0.00 -0.25 0.00 1.06 0.00 0.00 27.41 29.37 2kvt h HIS 67 CO 0.14 0.30 -0.24 -3.38 0.86 0.00 0.00 177.93 175.62 2kvt s HIS 68 N -3.60 -0.55 0.41 2.45 -3.43 -1.26 -5.16 115.29 104.15 2kvt s HIS 68 Ca 0.01 1.24 -0.26 0.00 -0.80 0.00 0.00 55.06 55.25 2kvt s HIS 68 Cb 0.10 0.22 -0.09 0.00 -1.43 0.00 0.00 32.58 31.39 2kvt s HIS 68 CO 0.67 -0.28 1.27 -3.38 -2.00 0.00 0.00 174.74 171.01 2kvt s HIS 69 N 0.74 2.88 0.05 0.38 -3.43 -1.26 -4.96 115.29 109.69 2kvt s HIS 69 Ca -0.04 1.45 -0.12 0.00 -0.80 0.00 0.00 55.06 55.54 2kvt s HIS 69 Cb -0.05 -3.60 -0.31 0.00 -1.43 0.00 0.00 32.58 27.19 2kvt s HIS 69 CO -0.05 -1.91 1.08 0.45 -2.00 0.00 0.00 174.74 172.31 2kvt h HIS 70 N 2.66 0.87 0.00 0.38 3.86 -2.01 -3.54 115.15 117.37 2kvt h HIS 70 Ca -0.49 -0.60 0.00 0.00 -1.16 0.00 0.00 60.37 58.11 2kvt h HIS 70 Cb 1.24 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.66 2kvt h HIS 70 CO 0.53 1.46 0.00 1.58 0.86 0.00 0.00 177.93 182.36