#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 4.27 -0.06 3.17 0.02 -1.26 -4.91 135.00 136.23 2kvt s PRO 2 Ca 0.00 2.28 0.06 0.00 0.02 0.00 0.00 61.00 63.36 2kvt s PRO 2 Cb 0.00 -3.13 0.27 0.00 0.02 0.00 0.00 34.50 31.66 2kvt s PRO 2 CO 0.00 -0.44 1.00 0.25 -0.33 0.00 0.00 177.00 177.49 2kvt n THR 3 N 2.70 0.78 -1.65 0.99 -2.24 -1.26 -4.93 114.28 108.66 2kvt n THR 3 Ca 0.08 -0.44 -0.43 0.00 -2.27 0.00 0.00 64.05 60.99 2kvt n THR 3 Cb 0.40 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.35 2kvt n THR 3 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2kvt s LYS 4 N -1.62 3.25 0.39 -0.78 2.47 -1.26 -4.99 119.74 117.19 2kvt s LYS 4 Ca 0.18 2.03 -0.05 0.00 -1.56 0.00 0.00 55.97 56.56 2kvt s LYS 4 Cb 0.13 -4.33 -0.05 0.00 -1.46 0.00 0.00 37.83 32.12 2kvt s LYS 4 CO 0.07 -1.97 0.68 -1.25 0.16 0.00 0.00 175.35 173.04 2kvt s PRO 5 N 6.10 3.61 0.59 4.03 0.04 -1.26 -5.09 135.00 143.02 2kvt s PRO 5 Ca 0.97 0.12 -0.18 0.00 0.04 0.00 0.00 61.00 61.95 2kvt s PRO 5 Cb -0.33 -2.50 -0.03 0.00 0.04 0.00 0.00 34.50 31.68 2kvt s PRO 5 CO 0.35 0.00 1.13 -2.14 0.04 0.00 0.00 177.00 176.39 2kvt s PRO 6 N -4.15 3.10 0.07 0.56 0.02 -1.26 -5.07 135.00 128.26 2kvt s PRO 6 Ca 0.46 1.56 0.07 0.00 0.02 0.00 0.00 61.00 63.11 2kvt s PRO 6 Cb -0.10 -1.97 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 2kvt s PRO 6 CO 0.36 -1.04 -0.13 1.52 -0.33 0.00 0.00 177.00 177.38 2kvt s TYR 7 N -1.95 2.68 0.04 6.54 1.13 -1.26 -5.09 117.35 119.45 2kvt s TYR 7 Ca 0.71 -0.18 -0.31 0.00 -1.41 0.00 0.00 57.07 55.88 2kvt s TYR 7 Cb -0.24 -1.46 -0.10 0.00 -1.10 0.00 0.00 41.96 39.06 2kvt s TYR 7 CO 0.33 0.36 1.91 -2.30 -2.51 0.00 0.00 175.55 173.34 2kvt n PRO 8 N 1.14 2.71 -3.46 -3.49 -0.02 -1.26 -4.96 135.00 125.65 2kvt n PRO 8 Ca -0.15 0.99 -0.27 0.00 -2.02 0.00 0.00 63.50 62.05 2kvt n PRO 8 Cb 0.52 -2.90 -0.10 0.00 -0.02 0.00 0.00 33.50 30.99 2kvt n PRO 8 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2kvt s ARG 9 N 3.83 1.08 0.55 -0.52 1.04 -1.26 -4.77 118.95 118.89 2kvt s ARG 9 Ca 0.88 -2.22 -0.04 0.00 -1.04 0.00 0.00 55.73 53.30 2kvt s ARG 9 Cb -0.50 -1.67 0.00 0.00 -2.04 0.00 0.00 34.95 30.74 2kvt s ARG 9 CO 0.42 -1.36 0.83 -1.21 -0.04 0.00 0.00 175.30 173.94 2kvt s GLU 10 N -0.07 2.97 0.12 3.89 0.41 -1.26 -4.86 118.70 119.90 2kvt s GLU 10 Ca 0.31 -0.14 0.04 0.00 -0.41 0.00 0.00 54.97 54.77 2kvt s GLU 10 Cb 0.01 -2.36 -0.04 0.00 -1.78 0.00 0.00 34.13 29.97 2kvt s GLU 10 CO -0.18 -0.57 -0.11 0.00 -0.49 0.00 0.00 175.26 173.91 2kvt s ALA 11 N -2.86 1.32 0.23 5.21 0.00 -1.26 -0.79 121.76 123.60 2kvt s ALA 11 Ca 0.52 -1.32 -0.10 0.00 0.00 0.00 0.00 51.96 51.06 2kvt s ALA 11 Cb -0.10 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 2kvt s ALA 11 CO 0.43 -0.03 0.40 1.52 0.00 0.00 0.00 175.76 178.08 2kvt s TYR 12 N -2.70 0.52 -0.13 0.00 1.13 0.44 -4.89 117.35 111.72 2kvt s TYR 12 Ca 0.10 -0.85 -0.01 0.00 -1.41 0.00 0.00 57.07 54.91 2kvt s TYR 12 Cb -0.01 0.03 -0.02 0.00 -1.10 0.00 0.00 41.96 40.86 2kvt s TYR 12 CO 0.01 -0.90 -0.11 0.42 -2.51 0.00 0.00 175.55 172.45 2kvt s ILE 13 N -4.04 3.23 -0.19 -3.49 1.01 -1.26 -1.15 121.20 115.31 2kvt s ILE 13 Ca 0.25 -0.60 -0.03 0.00 0.00 0.00 0.00 60.65 60.27 2kvt s ILE 13 Cb 0.01 -2.37 -0.02 0.00 0.01 0.00 0.00 42.46 40.10 2kvt s ILE 13 CO 0.09 0.52 -0.06 -0.69 0.00 0.00 0.00 174.94 174.80 2kvt s VAL 14 N 0.33 3.46 -0.39 2.92 1.01 -0.08 -4.92 120.40 122.73 2kvt s VAL 14 Ca -0.09 -0.49 -0.21 0.00 0.00 0.00 0.00 61.98 61.19 2kvt s VAL 14 Cb -0.16 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.70 2kvt s VAL 14 CO 0.05 0.46 0.68 0.42 0.00 0.00 0.00 175.10 176.71 2kvt s THR 15 N 0.97 4.82 0.27 3.92 -4.23 -1.26 -0.22 115.64 119.91 2kvt s THR 15 Ca -0.00 0.51 0.11 0.00 -1.18 0.00 0.00 61.69 61.12 2kvt s THR 15 Cb -0.15 -4.16 -0.05 0.00 1.34 0.00 0.00 72.50 69.49 2kvt s THR 15 CO 0.00 -0.45 -0.08 0.27 -0.54 0.00 0.00 174.62 173.82 2kvt s ILE 16 N 2.87 3.05 -0.14 2.99 -4.36 -0.04 -4.98 121.20 120.59 2kvt s ILE 16 Ca 0.26 -2.12 0.01 0.00 -0.26 0.00 0.00 60.65 58.54 2kvt s ILE 16 Cb -0.14 -2.62 0.02 0.00 1.25 0.00 0.00 42.46 40.97 2kvt s ILE 16 CO 0.17 -0.38 -0.15 -1.61 0.24 0.00 0.00 174.94 173.21 2kvt s GLU 17 N -3.61 2.33 0.48 0.37 2.02 -1.26 -0.33 118.70 118.70 2kvt s GLU 17 Ca 0.31 -0.58 0.04 0.00 0.02 0.00 0.00 54.97 54.76 2kvt s GLU 17 Cb -0.06 -2.07 -0.03 0.00 0.10 0.00 0.00 34.13 32.07 2kvt s GLU 17 CO 0.18 -0.18 0.08 0.15 0.02 0.00 0.00 175.26 175.50 2kvt s LYS 18 N 1.33 2.15 0.00 1.61 1.02 -0.56 -4.90 119.74 120.39 2kvt s LYS 18 Ca 0.01 -2.21 0.00 0.00 0.02 0.00 0.00 55.97 53.79 2kvt s LYS 18 Cb -0.13 -1.68 0.00 0.00 -0.52 0.00 0.00 37.83 35.49 2kvt s LYS 18 CO -0.08 -0.28 0.00 0.41 -0.92 0.00 0.00 175.35 174.48 2kvt n GLY 19 N -1.25 1.06 3.93 -3.33 0.00 -1.26 -0.55 105.19 103.79 2kvt n GLY 19 Ca -0.11 -1.56 -0.26 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 3.51 0.02 1.61 3.01 -1.08 -4.98 119.74 121.82 2kvt s LYS 20 Ca 0.00 -0.36 -0.33 0.00 -1.01 0.00 0.00 55.97 54.27 2kvt s LYS 20 Cb 0.00 -2.79 -0.12 0.00 -1.01 0.00 0.00 37.83 33.91 2kvt s LYS 20 CO 0.00 0.33 1.81 -2.30 0.51 0.00 0.00 175.35 175.70 2kvt n PRO 21 N -1.03 2.34 0.00 -1.68 -0.02 -1.26 -3.14 135.00 130.21 2kvt n PRO 21 Ca -0.05 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 2kvt n PRO 21 Cb 0.55 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 2kvt n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kvt n GLY 22 N 4.16 1.60 3.03 -1.23 0.00 -1.26 -4.78 105.19 106.71 2kvt n GLY 22 Ca 0.20 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 2.98 -3.21 1.61 1.13 -1.19 -4.95 117.38 113.76 2kvt n GLN 23 Ca 0.00 -2.85 -0.18 0.00 -1.94 0.00 0.00 57.00 52.03 2kvt n GLN 23 Cb 0.00 -3.36 0.00 0.00 0.11 0.00 0.00 30.24 27.00 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 3.52 3.46 -0.14 5.09 -4.23 -1.21 -2.64 115.64 119.49 2kvt s THR 24 Ca 0.49 -1.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.02 2kvt s THR 24 Cb 0.10 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.77 2kvt s THR 24 CO -0.03 -0.07 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.10 2kvt s VAL 25 N -2.27 2.33 -0.36 2.29 1.01 0.28 -4.95 120.40 118.73 2kvt s VAL 25 Ca 0.51 -0.89 -0.28 0.00 0.00 0.00 0.00 61.98 61.31 2kvt s VAL 25 Cb -0.10 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.35 2kvt s VAL 25 CO 0.32 0.54 1.05 -0.89 0.00 0.00 0.00 175.10 176.11 2kvt s THR 26 N 0.73 4.47 -0.15 3.92 2.01 -1.26 -1.49 115.64 123.87 2kvt s THR 26 Ca -0.08 1.49 -0.03 0.00 0.31 0.00 0.00 61.69 63.38 2kvt s THR 26 Cb -0.16 -4.43 -0.03 0.00 0.01 0.00 0.00 72.50 67.90 2kvt s THR 26 CO 0.01 -0.59 -0.03 0.26 -0.69 0.00 0.00 174.62 173.57 2kvt s TRP 27 N 3.75 3.03 -0.36 4.92 0.52 0.55 -4.65 118.94 126.71 2kvt s TRP 27 Ca 0.44 -0.24 -0.15 0.00 0.02 0.00 0.00 56.10 56.17 2kvt s TRP 27 Cb -0.11 -1.94 -0.01 0.00 -1.15 0.00 0.00 33.47 30.26 2kvt s TRP 27 CO 0.19 0.02 0.33 0.71 0.02 0.00 0.00 176.95 178.22 2kvt s TYR 28 N 0.23 3.21 -0.30 -1.98 1.51 0.55 -0.86 117.35 119.72 2kvt s TYR 28 Ca -0.02 -0.16 -0.22 0.00 -1.01 0.00 0.00 57.07 55.66 2kvt s TYR 28 Cb -0.14 -2.64 -0.01 0.00 -0.11 0.00 0.00 41.96 39.07 2kvt s TYR 28 CO 0.03 -0.46 0.70 -0.65 -1.11 0.00 0.00 175.55 174.06 2kvt s GLN 29 N 1.92 3.97 -0.63 -0.62 -0.21 0.69 -0.76 119.66 124.03 2kvt s GLN 29 Ca 0.10 0.47 -0.27 0.00 0.02 0.00 0.00 55.36 55.68 2kvt s GLN 29 Cb -0.17 -3.71 0.03 0.00 1.00 0.00 0.00 33.01 30.16 2kvt s GLN 29 CO 0.11 -0.59 1.18 -1.17 -2.12 0.00 0.00 175.29 172.71 2kvt s LEU 30 N 2.73 3.49 0.43 2.90 2.96 0.12 -0.90 118.68 130.40 2kvt s LEU 30 Ca 0.28 -0.17 0.07 0.00 -0.22 0.00 0.00 54.13 54.09 2kvt s LEU 30 Cb -0.15 -2.91 -0.04 0.00 0.50 0.00 0.00 46.19 43.59 2kvt s LEU 30 CO 0.11 -1.56 0.18 -0.13 -1.32 0.00 0.00 176.35 173.63 2kvt s ARG 31 N 5.03 2.21 0.10 1.98 0.52 -0.30 -0.28 118.95 128.21 2kvt s ARG 31 Ca 0.38 -1.91 0.07 0.00 -0.52 0.00 0.00 55.73 53.75 2kvt s ARG 31 Cb -0.09 -1.94 -0.03 0.00 0.52 0.00 0.00 34.95 33.41 2kvt s ARG 31 CO 0.21 -0.18 -0.19 0.00 0.02 0.00 0.00 175.30 175.16 2kvt s ALA 32 N -2.64 1.64 0.14 2.13 0.00 -0.92 -0.42 121.76 121.68 2kvt s ALA 32 Ca 0.38 -1.20 0.20 0.00 0.00 0.00 0.00 51.96 51.34 2kvt s ALA 32 Cb 0.03 -0.19 0.74 0.00 0.00 0.00 0.00 23.12 23.70 2kvt s ALA 32 CO 0.21 0.29 1.76 -0.44 0.00 0.00 0.00 175.76 177.57 2kvt h ASP 33 N 4.05 0.00 -4.16 0.00 5.19 -1.21 -3.33 116.42 116.97 2kvt h ASP 33 Ca -0.44 0.00 -0.40 0.00 -0.62 0.00 0.00 57.03 55.57 2kvt h ASP 33 Cb 1.19 0.00 -0.27 0.00 0.18 0.00 0.00 39.33 40.42 2kvt h ASP 33 CO 0.41 0.32 -0.78 -1.00 -3.12 0.00 0.00 179.24 175.07 2kvt s HIS 34 N -3.61 0.91 0.17 4.55 3.76 -1.26 -4.18 115.29 115.64 2kvt s HIS 34 Ca 0.00 -0.22 0.07 0.00 -0.15 0.00 0.00 55.06 54.77 2kvt s HIS 34 Cb 0.11 -0.57 -0.01 0.00 1.11 0.00 0.00 32.58 33.21 2kvt s HIS 34 CO 0.67 -0.01 1.39 -1.35 -0.85 0.00 0.00 174.74 174.59 2kvt h PRO 35 N 5.62 0.02 -6.06 8.40 0.11 -1.95 -3.46 132.00 134.68 2kvt h PRO 35 Ca -0.33 -0.03 -0.59 0.00 0.11 0.00 0.00 66.00 65.17 2kvt h PRO 35 Cb 1.18 0.01 -0.27 0.00 0.11 0.00 0.00 31.00 32.03 2kvt h PRO 35 CO 0.48 0.88 -0.84 0.15 -0.21 0.00 0.00 178.00 178.45 2kvt s LYS 36 N -3.05 1.45 0.56 1.05 -0.14 -1.26 -5.03 119.74 113.33 2kvt s LYS 36 Ca -0.00 -0.89 0.27 0.00 -1.36 0.00 0.00 55.97 53.98 2kvt s LYS 36 Cb 0.11 -1.53 1.49 0.00 -1.68 0.00 0.00 37.83 36.22 2kvt s LYS 36 CO 0.80 0.40 2.02 -1.35 -0.76 0.00 0.00 175.35 176.46 2kvt h PRO 37 N 5.05 0.00 -0.57 -1.68 0.11 -1.74 0.10 132.00 133.27 2kvt h PRO 37 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2kvt h PRO 37 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2kvt h PRO 37 CO 0.45 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.99 2kvt n ASP 38 N -4.07 3.10 -4.57 -2.05 8.00 -1.26 -4.46 116.55 111.23 2kvt n ASP 38 Ca 0.06 -2.21 -0.26 0.00 0.71 0.00 0.00 54.79 53.09 2kvt n ASP 38 Cb 0.49 -0.43 -0.06 0.00 -0.02 0.00 0.00 41.12 41.10 2kvt n ASP 38 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2kvt s SER 39 N -0.83 4.85 -0.19 -2.24 0.01 0.02 -4.93 113.70 110.40 2kvt s SER 39 Ca 0.33 -1.20 -0.27 0.00 1.31 0.00 0.00 55.95 56.13 2kvt s SER 39 Cb 0.20 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.85 2kvt s SER 39 CO 0.18 -3.18 0.90 -0.22 0.41 0.00 0.00 173.24 171.33 2kvt s LEU 40 N 11.50 4.15 -0.19 2.44 2.96 -1.26 -2.17 118.68 136.10 2kvt s LEU 40 Ca 0.71 1.24 -0.23 0.00 -0.22 0.00 0.00 54.13 55.63 2kvt s LEU 40 Cb -0.04 -3.34 -0.21 0.00 0.50 0.00 0.00 46.19 43.11 2kvt s LEU 40 CO 0.09 -0.49 0.34 0.40 -1.32 0.00 0.00 176.35 175.37 2kvt h ILE 41 N 5.29 1.11 -1.36 6.68 1.08 -1.00 -3.49 117.51 125.81 2kvt h ILE 41 Ca -0.26 -2.22 0.14 0.00 -0.39 0.00 0.00 64.86 62.14 2kvt h ILE 41 Cb 1.11 2.48 -0.25 0.00 -3.07 0.00 0.00 36.82 37.09 2kvt h ILE 41 CO 0.88 0.38 0.70 -0.55 -0.69 0.00 0.00 178.15 178.86 2kvt s SER 42 N -6.72 -0.24 -0.15 1.72 0.15 -1.22 -5.02 113.70 102.21 2kvt s SER 42 Ca -0.27 0.29 -0.06 0.00 0.70 0.00 0.00 55.95 56.61 2kvt s SER 42 Cb 0.04 0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 64.55 2kvt s SER 42 CO 0.61 -0.21 0.06 -1.61 1.20 0.00 0.00 173.24 173.30 2kvt s GLU 43 N -0.92 3.71 0.02 5.44 8.01 -1.26 -0.71 118.70 132.99 2kvt s GLU 43 Ca 0.03 -0.32 0.05 0.00 0.01 0.00 0.00 54.97 54.74 2kvt s GLU 43 Cb -0.01 -3.13 -0.02 0.00 -4.31 0.00 0.00 34.13 26.66 2kvt s GLU 43 CO -0.03 0.44 -0.15 -1.01 0.01 0.00 0.00 175.26 174.52 2kvt s HIS 44 N -0.11 1.36 0.20 1.61 3.76 0.06 -4.92 115.29 117.25 2kvt s HIS 44 Ca 0.07 -0.32 0.17 0.00 -0.15 0.00 0.00 55.06 54.83 2kvt s HIS 44 Cb -0.12 -0.83 0.64 0.00 1.11 0.00 0.00 32.58 33.38 2kvt s HIS 44 CO 0.01 0.02 1.72 -1.00 -0.85 0.00 0.00 174.74 174.65 2kvt h PRO 45 N 5.22 0.00 -6.58 8.40 0.13 -1.87 0.16 132.00 137.46 2kvt h PRO 45 Ca -0.38 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.10 2kvt h PRO 45 Cb 1.17 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.14 2kvt h PRO 45 CO 0.46 0.41 -0.76 0.95 -0.23 0.00 0.00 178.00 178.83 2kvt s THR 46 N -3.65 3.14 0.26 1.56 -4.23 -1.26 -4.71 115.64 106.75 2kvt s THR 46 Ca -0.00 -1.46 -0.05 0.00 -1.18 0.00 0.00 61.69 59.00 2kvt s THR 46 Cb 0.11 -2.48 0.26 0.00 1.34 0.00 0.00 72.50 71.73 2kvt s THR 46 CO 0.70 0.05 1.93 0.00 -0.54 0.00 0.00 174.62 176.76 2kvt h ALA 47 N 3.46 1.30 -0.67 3.99 0.00 -1.95 -2.11 119.26 123.29 2kvt h ALA 47 Ca -0.49 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 2kvt h ALA 47 Cb 1.18 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2kvt h ALA 47 CO 0.51 0.65 0.36 0.37 0.00 0.00 0.00 179.25 181.13 2kvt h GLN 48 N 1.33 0.94 -0.43 0.00 5.75 -1.98 -0.43 115.11 120.28 2kvt h GLN 48 Ca 0.36 -0.12 0.05 0.00 -0.15 0.00 0.00 58.65 58.79 2kvt h GLN 48 Cb -0.15 -0.18 -0.05 0.00 1.07 0.00 0.00 27.48 28.17 2kvt h GLN 48 CO -0.08 0.71 0.16 0.93 -2.65 0.00 0.00 178.83 177.90 2kvt h GLU 49 N 0.91 0.32 0.08 1.69 4.39 -1.86 -0.08 114.58 120.04 2kvt h GLU 49 Ca 0.23 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.91 2kvt h GLU 49 Cb 0.06 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2kvt h GLU 49 CO -0.04 0.21 -0.04 0.00 -1.16 0.00 0.00 179.01 177.99 2kvt h ALA 50 N 1.28 -0.11 -0.76 3.43 0.00 -0.93 -1.62 119.26 120.55 2kvt h ALA 50 Ca 0.20 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2kvt h ALA 50 Cb 0.18 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2kvt h ALA 50 CO -0.20 -0.49 0.30 0.52 0.00 0.00 0.00 179.25 179.38 2kvt h MET 51 N -0.25 1.13 -0.02 0.00 2.86 -1.02 0.84 114.93 118.47 2kvt h MET 51 Ca -0.01 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.43 2kvt h MET 51 Cb 0.21 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 2kvt h MET 51 CO 0.02 0.92 0.01 0.22 1.06 0.00 0.00 176.91 179.13 2kvt h ASP 52 N 1.10 0.03 -0.64 1.22 3.58 -0.95 -1.46 116.42 119.31 2kvt h ASP 52 Ca 0.25 -0.20 -0.03 0.00 0.42 0.00 0.00 57.03 57.47 2kvt h ASP 52 Cb 0.21 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 2kvt h ASP 52 CO -0.02 0.23 0.31 0.00 -2.88 0.00 0.00 179.24 176.87 2kvt h ALA 53 N 0.81 1.28 -0.40 -0.78 0.00 -1.19 -2.59 119.26 116.38 2kvt h ALA 53 Ca 0.01 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.83 2kvt h ALA 53 Cb 0.21 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 2kvt h ALA 53 CO -0.00 0.55 0.13 -0.22 0.00 0.00 0.00 179.25 179.71 2kvt h LYS 54 N 0.95 0.27 -0.65 0.00 3.64 -0.57 -1.15 116.57 119.07 2kvt h LYS 54 Ca 0.23 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.62 2kvt h LYS 54 Cb 0.12 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 2kvt h LYS 54 CO -0.03 0.18 0.41 0.87 -2.27 0.00 0.00 179.45 178.61 2kvt h LYS 55 N 0.28 0.79 -0.26 1.90 1.57 -1.02 -0.41 116.57 119.42 2kvt h LYS 55 Ca 0.19 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 2kvt h LYS 55 Cb 0.19 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2kvt h LYS 55 CO -0.21 0.52 0.05 0.00 -0.57 0.00 0.00 179.45 179.24 2kvt h ARG 56 N 0.81 0.37 0.04 3.15 3.08 -1.01 -2.13 114.38 118.68 2kvt h ARG 56 Ca 0.26 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 60.08 2kvt h ARG 56 Cb -0.01 -0.07 0.02 0.00 0.08 0.00 0.00 29.97 29.99 2kvt h ARG 56 CO -0.09 0.36 -0.68 -0.92 -1.07 0.00 0.00 179.97 177.56 2kvt h TYR 57 N 0.37 0.62 -0.00 3.04 3.20 -0.73 -3.31 116.97 120.15 2kvt h TYR 57 Ca 0.09 -0.36 0.00 0.00 3.14 0.00 0.00 58.73 61.60 2kvt h TYR 57 Cb 0.17 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.38 2kvt h TYR 57 CO 0.00 1.20 0.00 0.39 -1.64 0.00 0.00 178.16 178.12 2kvt n GLU 58 N -4.17 1.01 -1.86 1.82 1.02 -0.21 -4.85 120.64 113.41 2kvt n GLU 58 Ca -0.11 -0.02 -0.41 0.00 -0.02 0.00 0.00 57.16 56.59 2kvt n GLU 58 Cb 0.72 -1.22 -0.02 0.00 -0.02 0.00 0.00 31.44 30.91 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 -1.43 6.47 0.14 1.62 2.15 -0.83 -4.91 116.67 119.88 2kvt s ASP 59 Ca 0.21 2.87 -0.27 0.00 0.43 0.00 0.00 52.55 55.79 2kvt s ASP 59 Cb 0.09 -2.64 -0.06 0.00 -0.30 0.00 0.00 42.92 40.02 2kvt s ASP 59 CO 0.16 -0.83 1.35 -2.65 -0.17 0.00 0.00 175.17 173.03 2kvt n PRO 60 N 1.98 -0.38 -0.76 4.34 -0.02 -1.26 -3.98 135.00 134.92 2kvt n PRO 60 Ca 0.07 1.32 -0.00 0.00 -2.02 0.00 0.00 63.50 62.87 2kvt n PRO 60 Cb 0.39 -1.95 -0.01 0.00 -0.02 0.00 0.00 33.50 31.91 2kvt n PRO 60 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2kvt n ASP 61 N -5.03 0.02 -4.75 2.55 5.75 -1.26 -5.12 116.55 108.72 2kvt n ASP 61 Ca 0.02 -1.69 -0.41 0.00 -0.01 0.00 0.00 54.79 52.69 2kvt n ASP 61 Cb 0.22 -0.08 -0.02 0.00 -1.03 0.00 0.00 41.12 40.21 2kvt n ASP 61 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2kvt s LYS 62 N 0.00 4.22 -0.47 0.11 2.20 -1.26 -4.98 119.74 119.57 2kvt s LYS 62 Ca 0.06 2.39 -0.15 0.00 -0.36 0.00 0.00 55.97 57.91 2kvt s LYS 62 Cb 0.07 -3.08 0.07 0.00 -1.51 0.00 0.00 37.83 33.38 2kvt s LYS 62 CO -0.03 -0.48 0.39 -1.21 -0.36 0.00 0.00 175.35 173.65 2kvt s GLU 63 N -0.45 2.97 0.46 4.03 2.02 -1.26 -4.90 118.70 121.56 2kvt s GLU 63 Ca 0.60 -1.33 0.23 0.00 0.02 0.00 0.00 54.97 54.49 2kvt s GLU 63 Cb -0.44 -4.11 1.10 0.00 0.10 0.00 0.00 34.13 30.78 2kvt s GLU 63 CO 0.45 -1.01 1.93 -0.07 0.02 0.00 0.00 175.26 176.58 2kvt h LEU 64 N 8.74 0.00 -8.07 1.80 3.38 -1.95 -3.44 115.31 115.76 2kvt h LEU 64 Ca -0.28 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.57 2kvt h LEU 64 Cb 1.11 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.72 2kvt h LEU 64 CO 0.86 0.22 -0.43 -1.83 0.09 0.00 0.00 178.44 177.35 2kvt s GLU 65 N -3.97 0.97 -0.10 1.13 1.03 -1.26 -5.13 118.70 111.37 2kvt s GLU 65 Ca -0.02 -1.16 -0.29 0.00 0.03 0.00 0.00 54.97 53.53 2kvt s GLU 65 Cb 0.12 0.33 -0.04 0.00 -0.80 0.00 0.00 34.13 33.74 2kvt s GLU 65 CO 0.63 -0.32 1.52 -1.01 -1.33 0.00 0.00 175.26 174.76 2kvt s HIS 66 N -3.94 2.27 0.34 4.83 3.76 -1.26 -4.96 115.29 116.33 2kvt s HIS 66 Ca 0.14 0.48 -0.29 0.00 -0.15 0.00 0.00 55.06 55.24 2kvt s HIS 66 Cb 0.05 -3.78 -0.12 0.00 1.11 0.00 0.00 32.58 29.84 2kvt s HIS 66 CO -0.04 -3.10 1.42 -2.39 -0.85 0.00 0.00 174.74 169.78 2kvt n HIS 67 N 7.00 2.60 -4.04 1.40 1.44 -1.26 -5.01 115.22 117.35 2kvt n HIS 67 Ca 0.16 0.46 -0.12 0.00 -2.01 0.00 0.00 57.72 56.21 2kvt n HIS 67 Cb 0.44 -2.49 -0.11 0.00 0.12 0.00 0.00 29.99 27.95 2kvt n HIS 67 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2kvt s HIS 68 N -0.84 0.55 0.01 -1.40 -3.43 -1.26 -5.10 115.29 103.81 2kvt s HIS 68 Ca 0.57 -0.51 -0.05 0.00 -0.80 0.00 0.00 55.06 54.27 2kvt s HIS 68 Cb -0.53 -0.34 -0.03 0.00 -1.43 0.00 0.00 32.58 30.25 2kvt s HIS 68 CO 0.60 -0.12 0.93 1.25 -2.00 0.00 0.00 174.74 175.40 2kvt h HIS 69 N 4.54 -0.17 -2.86 0.38 2.76 -2.07 -3.48 115.15 114.25 2kvt h HIS 69 Ca -0.35 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 57.78 2kvt h HIS 69 Cb 1.20 0.06 -0.14 0.00 1.55 0.00 0.00 27.41 30.08 2kvt h HIS 69 CO 0.65 -0.11 0.16 -1.58 -1.30 0.00 0.00 177.93 175.75 2kvt s HIS 70 N -3.12 -0.51 0.00 5.26 2.46 -1.26 -5.35 115.29 112.77 2kvt s HIS 70 Ca -0.03 0.43 0.00 0.00 0.47 0.00 0.00 55.06 55.93 2kvt s HIS 70 Cb 0.00 0.48 0.00 0.00 -0.13 0.00 0.00 32.58 32.93 2kvt s HIS 70 CO 0.08 -0.77 0.23 1.58 -2.47 0.00 0.00 174.74 173.38