#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 3.62 0.11 0.03 0.04 -1.26 -5.03 135.00 132.51 2kvt s PRO 2 Ca 0.00 0.74 -0.31 0.00 0.04 0.00 0.00 61.00 61.47 2kvt s PRO 2 Cb 0.00 -2.09 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 2kvt s PRO 2 CO 0.00 -0.54 1.27 0.95 0.04 0.00 0.00 177.00 178.72 2kvt s THR 3 N -3.14 3.64 -0.25 1.26 -4.23 -1.26 -4.41 115.64 107.26 2kvt s THR 3 Ca 0.55 1.22 -0.01 0.00 -1.18 0.00 0.00 61.69 62.27 2kvt s THR 3 Cb -0.11 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 69.95 2kvt s THR 3 CO 0.52 0.12 0.03 0.29 -0.54 0.00 0.00 174.62 175.04 2kvt n LYS 4 N 3.60 -2.71 -1.48 3.99 4.76 -1.26 -5.02 118.16 120.04 2kvt n LYS 4 Ca 0.09 2.28 -0.31 0.00 -2.87 0.00 0.00 58.31 57.50 2kvt n LYS 4 Cb 0.44 -4.47 0.06 0.00 -1.84 0.00 0.00 35.03 29.22 2kvt n LYS 4 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2kvt s PRO 5 N -1.34 2.68 0.82 1.97 0.04 -1.26 -5.04 135.00 132.87 2kvt s PRO 5 Ca 0.01 1.08 -0.10 0.00 0.04 0.00 0.00 61.00 62.02 2kvt s PRO 5 Cb -0.00 -1.95 0.09 0.00 0.04 0.00 0.00 34.50 32.67 2kvt s PRO 5 CO 0.62 -1.31 1.10 -2.14 0.04 0.00 0.00 177.00 175.31 2kvt s PRO 6 N -4.88 1.82 0.54 0.56 0.02 -1.26 -5.01 135.00 126.80 2kvt s PRO 6 Ca 0.60 1.24 -0.21 0.00 0.02 0.00 0.00 61.00 62.65 2kvt s PRO 6 Cb -0.16 -1.84 -0.05 0.00 0.02 0.00 0.00 34.50 32.47 2kvt s PRO 6 CO 0.54 -1.97 1.24 1.52 -0.33 0.00 0.00 177.00 177.99 2kvt s TYR 7 N -2.83 2.49 0.64 6.54 -0.85 -1.26 -5.01 117.35 117.07 2kvt s TYR 7 Ca 0.63 1.48 -0.16 0.00 -0.52 0.00 0.00 57.07 58.50 2kvt s TYR 7 Cb -0.19 -3.55 -0.01 0.00 0.38 0.00 0.00 41.96 38.60 2kvt s TYR 7 CO 0.57 -2.22 1.12 -1.25 -1.52 0.00 0.00 175.55 172.25 2kvt s PRO 8 N -3.03 2.88 0.30 -3.49 0.04 -1.26 -5.02 135.00 125.42 2kvt s PRO 8 Ca 0.72 1.47 -0.26 0.00 0.04 0.00 0.00 61.00 62.97 2kvt s PRO 8 Cb -0.33 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.16 2kvt s PRO 8 CO 0.38 -1.20 0.93 0.50 0.04 0.00 0.00 177.00 177.65 2kvt s ARG 9 N -3.89 4.60 0.05 4.56 6.06 -1.26 -5.08 118.95 124.00 2kvt s ARG 9 Ca 0.69 1.32 0.06 0.00 -2.50 0.00 0.00 55.73 55.30 2kvt s ARG 9 Cb -0.22 -2.88 -0.03 0.00 0.06 0.00 0.00 34.95 31.89 2kvt s ARG 9 CO 0.38 0.32 -0.17 -1.83 -2.50 0.00 0.00 175.30 171.51 2kvt s GLU 10 N -1.92 1.08 0.04 5.12 -1.05 -1.26 -4.74 118.70 115.98 2kvt s GLU 10 Ca 0.48 -0.90 -0.08 0.00 -0.15 0.00 0.00 54.97 54.32 2kvt s GLU 10 Cb -0.20 -1.17 -0.00 0.00 -0.44 0.00 0.00 34.13 32.32 2kvt s GLU 10 CO 0.25 0.29 0.16 0.00 0.95 0.00 0.00 175.26 176.90 2kvt s ALA 11 N -0.94 -0.24 0.12 -0.84 0.00 -1.26 -4.16 121.76 114.44 2kvt s ALA 11 Ca 0.04 -0.40 -0.11 0.00 0.00 0.00 0.00 51.96 51.48 2kvt s ALA 11 Cb -0.09 0.28 0.01 0.00 0.00 0.00 0.00 23.12 23.32 2kvt s ALA 11 CO 0.02 -0.35 0.29 1.52 0.00 0.00 0.00 175.76 177.24 2kvt s TYR 12 N -2.64 0.10 -0.14 0.00 1.13 0.35 -4.99 117.35 111.16 2kvt s TYR 12 Ca -0.05 -0.48 -0.07 0.00 -1.41 0.00 0.00 57.07 55.07 2kvt s TYR 12 Cb -0.01 0.05 -0.04 0.00 -1.10 0.00 0.00 41.96 40.86 2kvt s TYR 12 CO -0.04 -0.65 0.10 0.42 -2.51 0.00 0.00 175.55 172.87 2kvt s ILE 13 N -3.87 5.15 -0.13 -3.49 1.01 -1.26 -1.21 121.20 117.40 2kvt s ILE 13 Ca 0.08 0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.83 2kvt s ILE 13 Cb 0.03 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.25 2kvt s ILE 13 CO -0.08 0.56 -0.21 -0.69 0.00 0.00 0.00 174.94 174.52 2kvt s VAL 14 N -0.57 2.21 -0.36 2.92 1.01 0.16 -4.94 120.40 120.84 2kvt s VAL 14 Ca 0.12 -0.94 -0.24 0.00 0.00 0.00 0.00 61.98 60.92 2kvt s VAL 14 Cb -0.12 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.39 2kvt s VAL 14 CO 0.02 0.54 0.82 0.42 0.00 0.00 0.00 175.10 176.90 2kvt s THR 15 N 0.69 4.70 0.40 3.92 -4.23 -1.26 -0.31 115.64 119.55 2kvt s THR 15 Ca -0.09 0.96 0.08 0.00 -1.18 0.00 0.00 61.69 61.45 2kvt s THR 15 Cb -0.16 -4.24 -0.05 0.00 1.34 0.00 0.00 72.50 69.40 2kvt s THR 15 CO 0.01 -0.45 0.19 0.27 -0.54 0.00 0.00 174.62 174.09 2kvt s ILE 16 N 3.18 2.48 -0.17 2.99 -4.36 0.02 -4.95 121.20 120.39 2kvt s ILE 16 Ca 0.33 -1.67 -0.01 0.00 -0.26 0.00 0.00 60.65 59.04 2kvt s ILE 16 Cb -0.13 -2.98 -0.01 0.00 1.25 0.00 0.00 42.46 40.59 2kvt s ILE 16 CO 0.17 -0.04 -0.12 -1.83 0.24 0.00 0.00 174.94 173.36 2kvt s GLU 17 N -3.91 3.30 0.27 0.37 -1.05 -1.26 -1.50 118.70 114.92 2kvt s GLU 17 Ca 0.41 -0.70 0.12 0.00 -0.15 0.00 0.00 54.97 54.65 2kvt s GLU 17 Cb 0.02 -2.74 -0.05 0.00 -0.44 0.00 0.00 34.13 30.92 2kvt s GLU 17 CO 0.23 -0.00 -0.18 0.15 0.95 0.00 0.00 175.26 176.41 2kvt s LYS 18 N 0.90 1.74 0.00 -4.83 1.02 -0.56 -4.90 119.74 113.10 2kvt s LYS 18 Ca -0.03 -1.72 0.00 0.00 0.02 0.00 0.00 55.97 54.25 2kvt s LYS 18 Cb -0.15 -1.82 0.00 0.00 -0.52 0.00 0.00 37.83 35.34 2kvt s LYS 18 CO -0.00 0.34 0.00 0.41 -0.92 0.00 0.00 175.35 175.17 2kvt n GLY 19 N -0.59 0.41 3.89 -3.33 0.00 -1.26 0.10 105.19 104.41 2kvt n GLY 19 Ca -0.06 -1.75 -0.32 0.00 0.00 0.00 0.00 46.02 43.89 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 3.64 0.04 1.61 1.02 -1.20 -4.95 119.74 119.91 2kvt s LYS 20 Ca 0.00 -0.03 -0.33 0.00 0.02 0.00 0.00 55.97 55.63 2kvt s LYS 20 Cb 0.00 -2.87 -0.12 0.00 -0.52 0.00 0.00 37.83 34.32 2kvt s LYS 20 CO 0.00 0.48 1.78 -2.30 -0.92 0.00 0.00 175.35 174.40 2kvt n PRO 21 N 0.25 2.35 0.00 -1.68 -0.02 -1.26 -2.04 135.00 132.60 2kvt n PRO 21 Ca -0.04 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 2kvt n PRO 21 Cb 0.52 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 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 4.07 2.52 2.81 -1.23 0.00 -1.26 -4.84 105.19 107.25 2kvt n GLY 22 Ca 0.20 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 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 4.98 -2.70 1.61 1.13 -0.87 -5.03 117.38 116.51 2kvt n GLN 23 Ca 0.00 -4.60 -0.23 0.00 -1.94 0.00 0.00 57.00 50.24 2kvt n GLN 23 Cb 0.00 -2.49 0.03 0.00 0.11 0.00 0.00 30.24 27.89 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 -3.55 3.18 -0.12 5.09 -4.23 -1.11 -3.22 115.64 111.67 2kvt s THR 24 Ca 0.35 -0.52 0.02 0.00 -1.18 0.00 0.00 61.69 60.36 2kvt s THR 24 Cb 0.12 -3.20 0.01 0.00 1.34 0.00 0.00 72.50 70.77 2kvt s THR 24 CO -0.02 -0.16 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.06 2kvt s VAL 25 N -2.75 1.59 -0.32 2.29 1.01 0.11 -4.93 120.40 117.41 2kvt s VAL 25 Ca 0.54 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 2kvt s VAL 25 Cb -0.10 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 34.83 2kvt s VAL 25 CO 0.39 0.46 1.22 -0.89 0.00 0.00 0.00 175.10 176.28 2kvt s THR 26 N 1.02 4.25 -0.06 3.92 2.01 -1.26 -1.49 115.64 124.03 2kvt s THR 26 Ca -0.05 1.41 0.01 0.00 0.31 0.00 0.00 61.69 63.37 2kvt s THR 26 Cb -0.15 -4.28 -0.03 0.00 0.01 0.00 0.00 72.50 68.05 2kvt s THR 26 CO -0.03 -0.53 -0.07 0.26 -0.69 0.00 0.00 174.62 173.56 2kvt s TRP 27 N 4.19 2.93 -0.36 4.92 0.52 -0.56 -4.93 118.94 125.63 2kvt s TRP 27 Ca 0.52 0.01 -0.15 0.00 0.02 0.00 0.00 56.10 56.50 2kvt s TRP 27 Cb -0.14 -1.70 -0.00 0.00 -1.15 0.00 0.00 33.47 30.48 2kvt s TRP 27 CO 0.22 0.33 0.35 0.71 0.02 0.00 0.00 176.95 178.59 2kvt s TYR 28 N -0.83 3.21 -0.17 -1.98 1.51 -0.58 -0.80 117.35 117.70 2kvt s TYR 28 Ca 0.13 -0.17 -0.19 0.00 -1.01 0.00 0.00 57.07 55.83 2kvt s TYR 28 Cb -0.11 -2.68 -0.03 0.00 -0.11 0.00 0.00 41.96 39.03 2kvt s TYR 28 CO 0.02 -0.49 0.52 -0.65 -1.11 0.00 0.00 175.55 173.84 2kvt s GLN 29 N 1.97 4.24 -0.31 -0.62 -0.21 0.57 -0.21 119.66 125.09 2kvt s GLN 29 Ca 0.10 0.44 -0.26 0.00 0.02 0.00 0.00 55.36 55.66 2kvt s GLN 29 Cb -0.17 -3.53 0.01 0.00 1.00 0.00 0.00 33.01 30.32 2kvt s GLN 29 CO 0.12 -0.07 0.93 -1.17 -2.12 0.00 0.00 175.29 172.98 2kvt s LEU 30 N 1.36 4.02 0.26 2.90 2.96 -0.71 -0.66 118.68 128.81 2kvt s LEU 30 Ca 0.25 0.87 0.06 0.00 -0.22 0.00 0.00 54.13 55.09 2kvt s LEU 30 Cb -0.15 -3.31 -0.06 0.00 0.50 0.00 0.00 46.19 43.17 2kvt s LEU 30 CO 0.10 -0.74 -0.05 -0.13 -1.32 0.00 0.00 176.35 174.21 2kvt s ARG 31 N 3.29 1.49 0.00 1.98 0.52 -0.35 -0.79 118.95 125.09 2kvt s ARG 31 Ca 0.39 -1.75 0.00 0.00 -0.52 0.00 0.00 55.73 53.85 2kvt s ARG 31 Cb -0.13 -1.03 -0.00 0.00 0.52 0.00 0.00 34.95 34.30 2kvt s ARG 31 CO 0.13 0.02 -0.00 0.00 0.02 0.00 0.00 175.30 175.47 2kvt s ALA 32 N -3.10 0.02 0.27 2.13 0.00 -1.24 -0.50 121.76 119.34 2kvt s ALA 32 Ca 0.29 -0.02 -0.03 0.00 0.00 0.00 0.00 51.96 52.19 2kvt s ALA 32 Cb 0.04 -0.00 0.36 0.00 0.00 0.00 0.00 23.12 23.52 2kvt s ALA 32 CO 0.11 0.00 1.91 0.22 0.00 0.00 0.00 175.76 178.00 2kvt h ASP 33 N 6.12 0.99 -3.29 0.00 3.58 -1.78 -3.17 116.42 118.87 2kvt h ASP 33 Ca -0.24 -0.07 -0.63 0.00 0.42 0.00 0.00 57.03 56.51 2kvt h ASP 33 Cb 1.21 -0.25 -0.18 0.00 1.72 0.00 0.00 39.33 41.83 2kvt h ASP 33 CO 0.51 0.77 -0.61 -1.00 -2.88 0.00 0.00 179.24 176.03 2kvt s HIS 34 N -5.80 3.16 0.12 0.28 3.76 -1.26 -2.53 115.29 113.02 2kvt s HIS 34 Ca -0.12 -0.06 -0.02 0.00 -0.15 0.00 0.00 55.06 54.71 2kvt s HIS 34 Cb 0.17 -2.01 -0.14 0.00 1.11 0.00 0.00 32.58 31.71 2kvt s HIS 34 CO 0.81 0.10 1.27 -1.00 -0.85 0.00 0.00 174.74 175.07 2kvt h PRO 35 N 6.60 0.29 -4.43 8.40 0.13 -1.97 -3.47 132.00 137.55 2kvt h PRO 35 Ca -0.35 -0.37 -0.47 0.00 -0.87 0.00 0.00 66.00 63.93 2kvt h PRO 35 Cb 1.18 0.12 -0.33 0.00 0.13 0.00 0.00 31.00 32.10 2kvt h PRO 35 CO 0.67 1.10 -0.80 0.15 -0.23 0.00 0.00 178.00 178.89 2kvt s LYS 36 N -3.03 1.35 0.22 0.86 -0.14 -1.06 -5.07 119.74 112.87 2kvt s LYS 36 Ca -0.04 -0.32 -0.15 0.00 -1.36 0.00 0.00 55.97 54.10 2kvt s LYS 36 Cb 0.09 -1.17 0.24 0.00 -1.68 0.00 0.00 37.83 35.30 2kvt s LYS 36 CO 0.86 0.02 1.60 -1.35 -0.76 0.00 0.00 175.35 175.72 2kvt h PRO 37 N 6.91 -0.05 -1.00 -1.68 0.11 -1.46 -0.03 132.00 134.81 2kvt h PRO 37 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2kvt h PRO 37 Cb 1.17 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2kvt h PRO 37 CO 0.48 -0.03 0.00 -0.25 -0.21 0.00 0.00 178.00 177.98 2kvt n ASP 38 N -5.47 1.87 -4.56 -2.05 9.92 -1.26 -3.78 116.55 111.22 2kvt n ASP 38 Ca 0.08 -1.93 -0.22 0.00 -0.53 0.00 0.00 54.79 52.18 2kvt n ASP 38 Cb 0.37 -0.48 -0.06 0.00 -0.64 0.00 0.00 41.12 40.31 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 0.45 4.72 -0.54 -2.24 1.04 -0.03 -4.91 113.70 112.19 2kvt s SER 39 Ca 0.00 -0.46 -0.27 0.00 0.48 0.00 0.00 55.95 55.69 2kvt s SER 39 Cb 0.00 -2.56 -0.00 0.00 0.10 0.00 0.00 66.02 63.56 2kvt s SER 39 CO 0.00 -3.14 1.63 -0.22 0.98 0.00 0.00 173.24 172.49 2kvt s LEU 40 N 11.69 3.38 -0.07 2.42 2.96 -1.26 -3.71 118.68 134.08 2kvt s LEU 40 Ca 0.77 0.47 -0.20 0.00 -0.22 0.00 0.00 54.13 54.95 2kvt s LEU 40 Cb -0.09 -2.95 -0.16 0.00 0.50 0.00 0.00 46.19 43.50 2kvt s LEU 40 CO 0.02 -1.94 0.77 0.40 -1.32 0.00 0.00 176.35 174.28 2kvt h ILE 41 N 6.62 0.94 -1.21 6.68 1.08 -1.32 -3.50 117.51 126.80 2kvt h ILE 41 Ca -0.28 -1.34 0.19 0.00 -0.39 0.00 0.00 64.86 63.05 2kvt h ILE 41 Cb 1.13 1.64 -0.26 0.00 -3.07 0.00 0.00 36.82 36.26 2kvt h ILE 41 CO 1.17 0.27 0.83 -0.55 -0.69 0.00 0.00 178.15 179.17 2kvt s SER 42 N -5.63 -0.14 -0.16 1.72 0.15 -1.25 -5.01 113.70 103.39 2kvt s SER 42 Ca -0.12 0.15 -0.21 0.00 0.70 0.00 0.00 55.95 56.47 2kvt s SER 42 Cb -0.00 0.12 -0.03 0.00 -1.71 0.00 0.00 66.02 64.39 2kvt s SER 42 CO 0.47 -0.13 0.60 -1.61 1.20 0.00 0.00 173.24 173.77 2kvt s GLU 43 N -1.03 4.28 0.07 5.44 8.01 -1.26 -1.74 118.70 132.47 2kvt s GLU 43 Ca 0.06 0.62 0.08 0.00 0.01 0.00 0.00 54.97 55.73 2kvt s GLU 43 Cb -0.01 -3.52 -0.03 0.00 -4.31 0.00 0.00 34.13 26.25 2kvt s GLU 43 CO -0.05 -0.10 -0.19 -1.01 0.01 0.00 0.00 175.26 173.92 2kvt s HIS 44 N 1.43 2.53 0.17 1.61 3.76 0.71 -4.92 115.29 120.59 2kvt s HIS 44 Ca 0.29 -0.27 -0.10 0.00 -0.15 0.00 0.00 55.06 54.83 2kvt s HIS 44 Cb -0.16 -1.41 0.03 0.00 1.11 0.00 0.00 32.58 32.15 2kvt s HIS 44 CO 0.12 0.30 1.60 -1.00 -0.85 0.00 0.00 174.74 174.90 2kvt h PRO 45 N 4.25 1.02 -6.62 8.40 0.13 -1.92 -1.54 132.00 135.72 2kvt h PRO 45 Ca -0.48 -0.37 -0.65 0.00 -0.87 0.00 0.00 66.00 63.63 2kvt h PRO 45 Cb 1.16 -0.07 -0.19 0.00 0.13 0.00 0.00 31.00 32.03 2kvt h PRO 45 CO 0.47 1.05 -0.83 0.95 -0.23 0.00 0.00 178.00 179.41 2kvt s THR 46 N -4.88 2.30 0.24 1.56 -4.23 -1.26 -4.69 115.64 104.67 2kvt s THR 46 Ca -0.12 -1.97 -0.05 0.00 -1.18 0.00 0.00 61.69 58.36 2kvt s THR 46 Cb 0.13 -2.08 0.21 0.00 1.34 0.00 0.00 72.50 72.10 2kvt s THR 46 CO 0.86 -0.09 1.85 0.00 -0.54 0.00 0.00 174.62 176.70 2kvt h ALA 47 N 3.33 1.18 -0.58 3.99 0.00 -1.97 -0.90 119.26 124.30 2kvt h ALA 47 Ca -0.47 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2kvt h ALA 47 Cb 1.20 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2kvt h ALA 47 CO 0.46 0.28 0.33 0.37 0.00 0.00 0.00 179.25 180.70 2kvt h GLN 48 N 0.98 0.80 -0.29 0.00 -0.00 -1.98 0.12 115.11 114.74 2kvt h GLN 48 Ca 0.37 -0.08 -0.02 0.00 -0.00 0.00 0.00 58.65 58.92 2kvt h GLN 48 Cb 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 27.48 27.47 2kvt h GLN 48 CO -0.17 0.60 0.11 1.49 0.00 0.00 0.00 178.83 180.86 2kvt h GLU 49 N 0.78 0.40 -0.04 1.69 4.22 -1.74 -1.17 114.58 118.71 2kvt h GLU 49 Ca 0.21 -0.04 -0.18 0.00 0.08 0.00 0.00 59.36 59.42 2kvt h GLU 49 Cb 0.02 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.20 2kvt h GLU 49 CO -0.04 0.34 -0.68 0.00 -2.18 0.00 0.00 179.01 176.45 2kvt h ALA 50 N 1.73 0.14 -0.69 2.92 0.00 -0.65 -3.26 119.26 119.44 2kvt h ALA 50 Ca 0.10 -0.58 0.07 0.00 0.00 0.00 0.00 54.91 54.50 2kvt h ALA 50 Cb 0.09 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2kvt h ALA 50 CO -0.01 0.46 0.46 0.52 0.00 0.00 0.00 179.25 180.68 2kvt h MET 51 N 0.12 0.66 -0.73 0.00 2.86 -0.26 -0.16 114.93 117.42 2kvt h MET 51 Ca -0.07 -0.04 0.10 0.00 -2.06 0.00 0.00 59.70 57.62 2kvt h MET 51 Cb 1.36 -0.15 -0.07 0.00 0.06 0.00 0.00 31.60 32.80 2kvt h MET 51 CO 0.14 0.44 0.36 0.22 1.06 0.00 0.00 176.91 179.13 2kvt h ASP 52 N 0.68 0.47 0.01 1.22 3.58 -1.27 0.24 116.42 121.35 2kvt h ASP 52 Ca 0.30 0.06 -0.27 0.00 0.42 0.00 0.00 57.03 57.55 2kvt h ASP 52 Cb 0.32 -0.02 0.02 0.00 1.72 0.00 0.00 39.33 41.37 2kvt h ASP 52 CO -0.10 0.27 -1.06 0.00 -2.88 0.00 0.00 179.24 175.47 2kvt h ALA 53 N 1.44 0.11 -0.32 -0.78 0.00 -1.48 -3.32 119.26 114.92 2kvt h ALA 53 Ca 0.36 -0.70 0.06 0.00 0.00 0.00 0.00 54.91 54.63 2kvt h ALA 53 Cb 0.39 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 2kvt h ALA 53 CO -0.28 0.68 -0.06 -0.22 0.00 0.00 0.00 179.25 179.37 2kvt h LYS 54 N 0.38 0.02 0.24 0.00 3.64 -0.34 -0.66 116.57 119.85 2kvt h LYS 54 Ca -0.14 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.25 2kvt h LYS 54 Cb 1.71 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.49 2kvt h LYS 54 CO 0.21 0.01 -0.43 0.87 -2.27 0.00 0.00 179.45 177.84 2kvt h LYS 55 N 0.02 -0.72 0.00 1.90 1.57 -1.10 -1.11 116.57 117.13 2kvt h LYS 55 Ca 0.16 0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 2kvt h LYS 55 Cb 0.23 0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 2kvt h LYS 55 CO -0.31 -0.48 -0.07 0.00 -0.57 0.00 0.00 179.45 178.01 2kvt h ARG 56 N -0.75 0.00 -0.13 3.15 3.08 -1.61 0.97 114.38 119.09 2kvt h ARG 56 Ca -0.01 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.89 2kvt h ARG 56 Cb 0.72 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 2kvt h ARG 56 CO -0.18 0.07 -0.57 -0.92 -1.07 0.00 0.00 179.97 177.31 2kvt h TYR 57 N 0.00 0.50 0.00 3.04 3.20 -0.49 -2.62 116.97 120.59 2kvt h TYR 57 Ca -0.00 -0.18 -0.00 0.00 3.14 0.00 0.00 58.73 61.68 2kvt h TYR 57 Cb 0.17 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.34 2kvt h TYR 57 CO 0.00 0.87 -0.64 0.93 -1.64 0.00 0.00 178.16 177.68 2kvt h GLU 58 N 0.30 0.00 -7.41 1.82 5.08 0.06 -3.43 114.58 110.99 2kvt h GLU 58 Ca 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 2kvt h GLU 58 Cb 1.09 0.00 0.10 0.00 0.50 0.00 0.00 28.75 30.44 2kvt h GLU 58 CO 0.10 0.01 0.36 -0.51 -1.00 0.00 0.00 179.01 177.97 2kvt s ASP 59 N -5.69 4.87 0.00 1.42 1.01 0.20 -4.45 116.67 114.02 2kvt s ASP 59 Ca 0.02 1.31 0.07 0.00 0.71 0.00 0.00 52.55 54.66 2kvt s ASP 59 Cb 0.08 -2.09 0.40 0.00 1.01 0.00 0.00 42.92 42.33 2kvt s ASP 59 CO 0.75 -1.73 0.82 -0.81 0.21 0.00 0.00 175.17 174.41 2kvt n PRO 60 N -3.28 0.42 -0.05 8.23 -0.04 -1.26 -3.04 135.00 135.97 2kvt n PRO 60 Ca 0.07 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.45 2kvt n PRO 60 Cb 0.56 -1.25 0.08 0.00 -0.04 0.00 0.00 33.50 32.84 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 0.73 -4.24 3.54 1.82 -1.92 -3.46 116.42 112.89 2kvt h ASP 61 Ca 0.00 -0.31 -0.50 0.00 -0.39 0.00 0.00 57.03 55.83 2kvt h ASP 61 Cb 0.00 -0.20 0.09 0.00 0.68 0.00 0.00 39.33 39.90 2kvt h ASP 61 CO 0.00 1.01 0.37 -0.75 -1.61 0.00 0.00 179.24 178.26 2kvt s LYS 62 N -4.38 2.93 0.72 0.28 2.47 -0.99 -5.04 119.74 115.73 2kvt s LYS 62 Ca -0.09 1.21 -0.10 0.00 -1.56 0.00 0.00 55.97 55.44 2kvt s LYS 62 Cb 0.12 -1.98 0.04 0.00 -1.46 0.00 0.00 37.83 34.56 2kvt s LYS 62 CO 0.84 -1.12 1.08 -1.21 0.16 0.00 0.00 175.35 175.09 2kvt s GLU 63 N -4.38 2.44 -0.51 4.03 8.01 -1.26 -5.05 118.70 121.99 2kvt s GLU 63 Ca 0.63 0.13 0.07 0.00 0.01 0.00 0.00 54.97 55.82 2kvt s GLU 63 Cb -0.17 -2.07 0.25 0.00 -4.31 0.00 0.00 34.13 27.83 2kvt s GLU 63 CO 0.44 -1.21 0.62 1.47 0.01 0.00 0.00 175.26 176.60 2kvt n LEU 64 N -3.03 1.86 -4.58 1.80 -0.00 -1.26 -5.04 117.00 106.75 2kvt n LEU 64 Ca 0.07 -5.04 -0.42 0.00 -0.00 0.00 0.00 56.01 50.62 2kvt n LEU 64 Cb 0.59 0.02 -0.01 0.00 -0.00 0.00 0.00 43.42 44.02 2kvt n LEU 64 CO 0.56 2.06 1.87 -1.61 -0.00 0.00 0.00 177.39 180.27 2kvt s GLU 65 N -1.78 3.86 -0.07 1.47 0.41 -1.26 -4.75 118.70 116.57 2kvt s GLU 65 Ca 0.37 -1.81 0.12 0.00 -0.41 0.00 0.00 54.97 53.24 2kvt s GLU 65 Cb 0.16 -5.50 0.47 0.00 -1.78 0.00 0.00 34.13 27.49 2kvt s GLU 65 CO -0.06 -2.32 1.33 1.58 -0.49 0.00 0.00 175.26 175.30 2kvt n HIS 66 N 8.74 0.97 -3.95 1.61 -0.00 -1.26 -4.75 115.22 116.59 2kvt n HIS 66 Ca 0.46 -0.39 -0.31 0.00 0.46 0.00 0.00 57.72 57.94 2kvt n HIS 66 Cb 0.47 -0.17 -0.15 0.00 -0.12 0.00 0.00 29.99 30.02 2kvt n HIS 66 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kvt s HIS 67 N -1.72 2.90 0.15 1.57 3.76 -1.26 -5.10 115.29 115.59 2kvt s HIS 67 Ca 0.34 -2.31 -0.08 0.00 -0.15 0.00 0.00 55.06 52.86 2kvt s HIS 67 Cb 0.21 -2.17 -0.01 0.00 1.11 0.00 0.00 32.58 31.72 2kvt s HIS 67 CO 0.17 -0.88 0.25 -1.01 -0.85 0.00 0.00 174.74 172.42 2kvt s HIS 68 N 1.21 0.43 -0.32 1.40 3.76 -1.26 -5.14 115.29 115.37 2kvt s HIS 68 Ca 0.03 -0.80 0.02 0.00 -0.15 0.00 0.00 55.06 54.17 2kvt s HIS 68 Cb -0.19 -0.10 0.10 0.00 1.11 0.00 0.00 32.58 33.50 2kvt s HIS 68 CO -0.10 -0.68 0.06 -1.01 -0.85 0.00 0.00 174.74 172.15 2kvt s HIS 69 N -3.97 3.03 -0.02 1.40 3.76 -1.26 -5.10 115.29 113.13 2kvt s HIS 69 Ca 0.17 -2.53 0.00 0.00 -0.15 0.00 0.00 55.06 52.55 2kvt s HIS 69 Cb 0.04 -2.46 0.03 0.00 1.11 0.00 0.00 32.58 31.30 2kvt s HIS 69 CO -0.01 -0.92 0.02 -1.01 -0.85 0.00 0.00 174.74 171.97 2kvt s HIS 70 N 1.16 0.13 -2.42 1.40 3.76 -1.26 -5.35 115.29 112.71 2kvt s HIS 70 Ca 0.09 0.07 0.19 0.00 -0.15 0.00 0.00 55.06 55.27 2kvt s HIS 70 Cb -0.18 -0.28 0.15 0.00 1.11 0.00 0.00 32.58 33.38 2kvt s HIS 70 CO -0.13 -0.09 1.11 0.72 -0.85 0.00 0.00 174.74 175.49