#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 4.18 -0.71 0.03 0.02 -1.26 -4.91 135.00 132.35 2kvt s PRO 2 Ca 0.00 2.46 -0.26 0.00 0.02 0.00 0.00 61.00 63.22 2kvt s PRO 2 Cb 0.00 -3.16 -0.04 0.00 0.02 0.00 0.00 34.50 31.32 2kvt s PRO 2 CO 0.00 -0.67 1.94 0.95 -0.33 0.00 0.00 177.00 178.88 2kvt s THR 3 N 1.28 3.36 0.29 0.99 -4.23 -1.26 -4.54 115.64 111.52 2kvt s THR 3 Ca 0.72 -0.01 0.00 0.00 -1.18 0.00 0.00 61.69 61.23 2kvt s THR 3 Cb -0.46 -3.88 0.00 0.00 1.34 0.00 0.00 72.50 69.50 2kvt s THR 3 CO 0.32 -0.85 0.00 0.29 -0.54 0.00 0.00 174.62 173.84 2kvt n LYS 4 N 9.06 -2.64 -1.58 3.99 5.02 -1.26 -4.89 118.16 125.86 2kvt n LYS 4 Ca 0.29 1.96 -0.56 0.00 -2.02 0.00 0.00 58.31 57.97 2kvt n LYS 4 Cb 0.50 -2.19 -0.07 0.00 -0.02 0.00 0.00 35.03 33.25 2kvt n LYS 4 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2kvt n PRO 5 N -0.79 0.64 -2.20 1.97 -0.02 -1.26 -4.94 135.00 128.39 2kvt n PRO 5 Ca 0.00 0.23 -0.35 0.00 -2.02 0.00 0.00 63.50 61.36 2kvt n PRO 5 Cb 0.00 -1.81 0.01 0.00 -0.02 0.00 0.00 33.50 31.68 2kvt n PRO 5 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2kvt s PRO 6 N 0.74 3.30 -0.34 0.52 0.04 -1.26 -5.00 135.00 133.01 2kvt s PRO 6 Ca 0.90 1.68 -0.22 0.00 0.04 0.00 0.00 61.00 63.40 2kvt s PRO 6 Cb -1.12 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 31.39 2kvt s PRO 6 CO 0.55 -0.90 0.73 -0.47 0.04 0.00 0.00 177.00 176.94 2kvt s TYR 7 N -1.70 3.16 0.04 0.56 5.04 -1.26 -5.05 117.35 118.14 2kvt s TYR 7 Ca 0.73 0.59 -0.30 0.00 -2.44 0.00 0.00 57.07 55.65 2kvt s TYR 7 Cb -0.26 -3.23 -0.04 0.00 0.35 0.00 0.00 41.96 38.78 2kvt s TYR 7 CO 0.29 -0.62 0.96 -1.25 -1.34 0.00 0.00 175.55 173.58 2kvt s PRO 8 N 2.90 4.60 0.30 4.97 0.04 -1.26 -4.49 135.00 142.06 2kvt s PRO 8 Ca 0.29 1.40 -0.00 0.00 0.04 0.00 0.00 61.00 62.73 2kvt s PRO 8 Cb -0.14 -3.43 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 2kvt s PRO 8 CO 0.14 0.05 0.50 1.03 0.04 0.00 0.00 177.00 178.77 2kvt s ARG 9 N 0.63 3.51 -0.00 4.56 0.52 -1.25 -5.03 118.95 121.90 2kvt s ARG 9 Ca 0.49 -0.31 0.03 0.00 -0.52 0.00 0.00 55.73 55.42 2kvt s ARG 9 Cb -0.22 -2.72 -0.01 0.00 0.52 0.00 0.00 34.95 32.53 2kvt s ARG 9 CO 0.28 0.24 -0.11 -1.21 0.02 0.00 0.00 175.30 174.52 2kvt s GLU 10 N -3.94 0.83 0.09 3.54 2.02 -1.26 -4.28 118.70 115.70 2kvt s GLU 10 Ca 0.40 -0.42 -0.02 0.00 0.02 0.00 0.00 54.97 54.95 2kvt s GLU 10 Cb -0.10 -0.80 -0.04 0.00 0.10 0.00 0.00 34.13 33.29 2kvt s GLU 10 CO 0.33 0.22 0.04 0.00 0.02 0.00 0.00 175.26 175.86 2kvt s ALA 11 N -0.34 0.56 -0.03 5.21 0.00 -1.26 -1.05 121.76 124.85 2kvt s ALA 11 Ca 0.03 -1.25 -0.18 0.00 0.00 0.00 0.00 51.96 50.57 2kvt s ALA 11 Cb -0.05 0.55 0.03 0.00 0.00 0.00 0.00 23.12 23.65 2kvt s ALA 11 CO -0.00 -0.44 0.38 1.52 0.00 0.00 0.00 175.76 177.22 2kvt s TYR 12 N -3.97 -0.28 -0.16 0.00 1.13 0.10 -4.95 117.35 109.22 2kvt s TYR 12 Ca 0.14 0.46 -0.08 0.00 -1.41 0.00 0.00 57.07 56.18 2kvt s TYR 12 Cb 0.07 0.16 -0.04 0.00 -1.10 0.00 0.00 41.96 41.05 2kvt s TYR 12 CO -0.05 -0.43 0.10 0.42 -2.51 0.00 0.00 175.55 173.09 2kvt s ILE 13 N -1.25 5.19 -0.10 -3.49 1.01 -1.26 -0.64 121.20 120.66 2kvt s ILE 13 Ca -0.13 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.63 2kvt s ILE 13 Cb -0.04 -3.31 0.02 0.00 0.01 0.00 0.00 42.46 39.14 2kvt s ILE 13 CO 0.05 0.52 -0.09 -0.69 0.00 0.00 0.00 174.94 174.74 2kvt s VAL 14 N -0.25 1.07 -0.08 2.92 1.01 0.12 -4.96 120.40 120.24 2kvt s VAL 14 Ca 0.10 -0.35 -0.23 0.00 0.00 0.00 0.00 61.98 61.50 2kvt s VAL 14 Cb -0.12 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 2kvt s VAL 14 CO 0.01 0.37 0.69 0.42 0.00 0.00 0.00 175.10 176.59 2kvt s THR 15 N 1.40 5.05 0.48 3.92 -4.23 -1.26 -0.52 115.64 120.48 2kvt s THR 15 Ca -0.01 1.41 0.05 0.00 -1.18 0.00 0.00 61.69 61.97 2kvt s THR 15 Cb -0.13 -4.03 -0.01 0.00 1.34 0.00 0.00 72.50 69.67 2kvt s THR 15 CO -0.05 0.24 0.24 0.27 -0.54 0.00 0.00 174.62 174.78 2kvt s ILE 16 N 0.89 1.83 -0.11 2.99 -4.36 0.26 -4.94 121.20 117.76 2kvt s ILE 16 Ca 0.36 -1.67 0.03 0.00 -0.26 0.00 0.00 60.65 59.11 2kvt s ILE 16 Cb -0.17 -2.49 -0.00 0.00 1.25 0.00 0.00 42.46 41.04 2kvt s ILE 16 CO 0.17 0.00 -0.21 -1.83 0.24 0.00 0.00 174.94 173.32 2kvt s GLU 17 N -4.05 3.15 0.46 0.37 -1.05 -1.26 -2.00 118.70 114.33 2kvt s GLU 17 Ca 0.31 -0.82 0.02 0.00 -0.15 0.00 0.00 54.97 54.34 2kvt s GLU 17 Cb 0.01 -2.41 -0.02 0.00 -0.44 0.00 0.00 34.13 31.27 2kvt s GLU 17 CO 0.18 0.18 0.07 0.15 0.95 0.00 0.00 175.26 176.79 2kvt s LYS 18 N 0.36 2.08 3.65 -4.83 1.02 -0.33 -4.88 119.74 116.80 2kvt s LYS 18 Ca -0.16 -2.30 0.00 0.00 0.02 0.00 0.00 55.97 53.53 2kvt s LYS 18 Cb -0.17 -1.07 0.00 0.00 -0.52 0.00 0.00 37.83 36.07 2kvt s LYS 18 CO 0.08 -0.43 0.00 0.41 -0.92 0.00 0.00 175.35 174.49 2kvt n GLY 19 N -1.10 0.48 3.80 -3.33 0.00 -1.26 -0.06 105.19 103.71 2kvt n GLY 19 Ca -0.13 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.54 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 3.77 0.31 1.61 1.02 -1.10 -4.94 119.74 120.42 2kvt s LYS 20 Ca 0.00 1.38 0.00 0.00 0.02 0.00 0.00 55.97 57.37 2kvt s LYS 20 Cb 0.00 -2.09 0.52 0.00 -0.52 0.00 0.00 37.83 35.74 2kvt s LYS 20 CO 0.00 -0.46 1.95 -1.35 -0.92 0.00 0.00 175.35 174.57 2kvt h PRO 21 N 1.54 1.00 0.00 -1.68 0.11 -2.01 -3.09 132.00 127.87 2kvt h PRO 21 Ca -0.50 -0.06 -0.23 0.00 0.11 0.00 0.00 66.00 65.33 2kvt h PRO 21 Cb 1.22 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 2kvt h PRO 21 CO 0.59 0.66 -1.37 0.41 -0.21 0.00 0.00 178.00 178.08 2kvt n GLY 22 N -1.41 -0.78 3.42 -0.55 0.00 -1.26 -4.66 105.19 99.95 2kvt n GLY 22 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.40 4.10 0.44 1.61 -1.52 -1.24 -5.03 119.66 115.63 2kvt s GLN 23 Ca -0.28 -2.76 -0.19 0.00 -1.95 0.00 0.00 55.36 50.18 2kvt s GLN 23 Cb 0.07 -4.87 -0.10 0.00 -0.22 0.00 0.00 33.01 27.89 2kvt s GLN 23 CO 0.50 -1.58 0.93 0.95 -0.25 0.00 0.00 175.29 175.84 2kvt s THR 24 N 0.65 4.46 -0.11 -0.19 -4.23 -1.17 -2.71 115.64 112.34 2kvt s THR 24 Ca 0.38 1.35 -0.02 0.00 -1.18 0.00 0.00 61.69 62.22 2kvt s THR 24 Cb -0.05 -3.63 -0.03 0.00 1.34 0.00 0.00 72.50 70.12 2kvt s THR 24 CO -0.03 -0.40 -0.03 -0.69 -0.54 0.00 0.00 174.62 172.93 2kvt s VAL 25 N -2.27 4.01 -0.24 2.29 1.01 0.91 -4.88 120.40 121.24 2kvt s VAL 25 Ca 0.60 -0.34 -0.24 0.00 0.00 0.00 0.00 61.98 62.00 2kvt s VAL 25 Cb -0.09 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 2kvt s VAL 25 CO 0.18 0.56 0.82 -0.89 0.00 0.00 0.00 175.10 175.77 2kvt s THR 26 N -0.42 4.85 -0.09 3.92 2.01 -1.26 -1.19 115.64 123.45 2kvt s THR 26 Ca 0.07 1.54 0.04 0.00 0.31 0.00 0.00 61.69 63.65 2kvt s THR 26 Cb -0.12 -4.10 -0.00 0.00 0.01 0.00 0.00 72.50 68.28 2kvt s THR 26 CO 0.02 -0.06 -0.24 0.26 -0.69 0.00 0.00 174.62 173.91 2kvt s TRP 27 N 2.81 2.54 -0.35 4.92 0.52 -0.85 -4.78 118.94 123.75 2kvt s TRP 27 Ca 0.34 -0.93 -0.20 0.00 0.02 0.00 0.00 56.10 55.34 2kvt s TRP 27 Cb -0.15 -1.68 0.00 0.00 -1.15 0.00 0.00 33.47 30.48 2kvt s TRP 27 CO 0.07 -0.35 0.60 0.71 0.02 0.00 0.00 176.95 178.01 2kvt s TYR 28 N 0.19 3.16 -0.27 -1.98 1.51 0.21 -0.57 117.35 119.59 2kvt s TYR 28 Ca -0.14 0.30 -0.15 0.00 -1.01 0.00 0.00 57.07 56.08 2kvt s TYR 28 Cb -0.17 -3.08 -0.04 0.00 -0.11 0.00 0.00 41.96 38.56 2kvt s TYR 28 CO 0.07 -0.60 0.37 -0.65 -1.11 0.00 0.00 175.55 173.62 2kvt s GLN 29 N 2.63 4.02 -0.61 -0.62 -0.21 0.32 -0.94 119.66 124.25 2kvt s GLN 29 Ca 0.23 0.03 -0.24 0.00 0.02 0.00 0.00 55.36 55.40 2kvt s GLN 29 Cb -0.15 -3.65 0.05 0.00 1.00 0.00 0.00 33.01 30.26 2kvt s GLN 29 CO 0.14 -0.26 1.00 -1.17 -2.12 0.00 0.00 175.29 172.89 2kvt s LEU 30 N 2.01 4.03 -0.06 2.90 2.96 -0.76 -0.70 118.68 129.06 2kvt s LEU 30 Ca 0.15 -0.52 -0.01 0.00 -0.22 0.00 0.00 54.13 53.53 2kvt s LEU 30 Cb -0.16 -2.70 -0.03 0.00 0.50 0.00 0.00 46.19 43.80 2kvt s LEU 30 CO 0.10 -1.38 0.02 -0.13 -1.32 0.00 0.00 176.35 173.64 2kvt s ARG 31 N 4.26 2.97 0.38 1.98 0.52 0.18 -0.20 118.95 129.04 2kvt s ARG 31 Ca 0.29 -0.45 0.08 0.00 -0.52 0.00 0.00 55.73 55.13 2kvt s ARG 31 Cb -0.13 -2.79 -0.03 0.00 0.52 0.00 0.00 34.95 32.52 2kvt s ARG 31 CO 0.17 0.68 0.26 0.00 0.02 0.00 0.00 175.30 176.42 2kvt s ALA 32 N -0.98 3.77 -0.10 2.13 0.00 0.30 0.01 121.76 126.89 2kvt s ALA 32 Ca 0.16 -1.89 -0.18 0.00 0.00 0.00 0.00 51.96 50.06 2kvt s ALA 32 Cb -0.11 -0.82 -0.15 0.00 0.00 0.00 0.00 23.12 22.04 2kvt s ALA 32 CO 0.06 -0.11 0.59 0.22 0.00 0.00 0.00 175.76 176.52 2kvt h ASP 33 N 1.29 -0.07 -2.57 0.00 3.58 -1.35 -3.38 116.42 113.93 2kvt h ASP 33 Ca -0.43 -0.48 -0.54 0.00 0.42 0.00 0.00 57.03 56.00 2kvt h ASP 33 Cb 1.26 0.02 -0.14 0.00 1.72 0.00 0.00 39.33 42.19 2kvt h ASP 33 CO 0.62 0.62 -0.69 -1.00 -2.88 0.00 0.00 179.24 175.92 2kvt s HIS 34 N -2.47 2.11 0.04 0.28 3.76 -1.26 -3.06 115.29 114.68 2kvt s HIS 34 Ca -0.11 -0.59 -0.25 0.00 -0.15 0.00 0.00 55.06 53.96 2kvt s HIS 34 Cb -0.01 -1.16 -0.18 0.00 1.11 0.00 0.00 32.58 32.34 2kvt s HIS 34 CO 0.41 0.42 1.50 -1.00 -0.85 0.00 0.00 174.74 175.23 2kvt h PRO 35 N 2.22 -0.02 -5.96 8.40 0.13 -1.98 -3.48 132.00 131.30 2kvt h PRO 35 Ca -0.40 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.11 2kvt h PRO 35 Cb 1.24 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 2kvt h PRO 35 CO 0.67 0.22 -0.44 0.15 -0.23 0.00 0.00 178.00 178.38 2kvt s LYS 36 N -5.24 3.50 0.28 0.86 3.01 -1.26 -5.00 119.74 115.89 2kvt s LYS 36 Ca -0.14 -0.30 0.24 0.00 -1.01 0.00 0.00 55.97 54.75 2kvt s LYS 36 Cb 0.04 -3.00 1.04 0.00 -1.01 0.00 0.00 37.83 34.90 2kvt s LYS 36 CO 0.66 0.58 1.71 -0.35 0.51 0.00 0.00 175.35 178.47 2kvt n PRO 37 N 0.39 0.19 -0.02 -1.68 -0.04 -1.17 -1.97 135.00 130.70 2kvt n PRO 37 Ca -0.06 0.48 0.13 0.00 -0.04 0.00 0.00 63.50 64.01 2kvt n PRO 37 Cb 0.52 -1.91 0.54 0.00 -0.04 0.00 0.00 33.50 32.60 2kvt n PRO 37 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kvt n ASP 38 N -2.28 1.34 -4.55 3.54 9.92 -1.26 -4.56 116.55 118.69 2kvt n ASP 38 Ca 0.01 -1.49 -0.20 0.00 -0.53 0.00 0.00 54.79 52.58 2kvt n ASP 38 Cb 0.19 -0.02 -0.08 0.00 -0.64 0.00 0.00 41.12 40.56 2kvt n ASP 38 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2kvt n SER 39 N 0.06 1.47 -4.55 -2.24 7.64 -0.83 -4.88 113.62 110.28 2kvt n SER 39 Ca 0.19 -1.11 -0.43 0.00 1.01 0.00 0.00 58.87 58.53 2kvt n SER 39 Cb 0.32 -1.49 -0.04 0.00 -1.01 0.00 0.00 64.21 62.00 2kvt n SER 39 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2kvt s LEU 40 N 12.34 3.87 -0.02 -3.43 2.96 -1.26 -0.54 118.68 132.60 2kvt s LEU 40 Ca 1.01 -0.05 -0.24 0.00 -0.22 0.00 0.00 54.13 54.62 2kvt s LEU 40 Cb -0.27 -3.06 -0.17 0.00 0.50 0.00 0.00 46.19 43.19 2kvt s LEU 40 CO 0.19 -1.25 1.11 0.40 -1.32 0.00 0.00 176.35 175.48 2kvt h ILE 41 N 6.09 0.87 -1.24 6.68 1.08 -0.93 -3.49 117.51 126.57 2kvt h ILE 41 Ca -0.25 -0.87 0.18 0.00 -0.39 0.00 0.00 64.86 63.53 2kvt h ILE 41 Cb 1.07 1.34 -0.26 0.00 -3.07 0.00 0.00 36.82 35.90 2kvt h ILE 41 CO 1.10 0.18 0.81 -0.55 -0.69 0.00 0.00 178.15 179.00 2kvt s SER 42 N -5.32 -0.16 -0.19 1.72 0.15 -1.24 -5.03 113.70 103.63 2kvt s SER 42 Ca -0.14 0.18 -0.09 0.00 0.70 0.00 0.00 55.95 56.59 2kvt s SER 42 Cb 0.01 0.14 -0.05 0.00 -1.71 0.00 0.00 66.02 64.41 2kvt s SER 42 CO 0.54 -0.14 0.12 -1.61 1.20 0.00 0.00 173.24 173.35 2kvt s GLU 43 N -1.00 4.10 0.03 5.44 8.01 -1.26 -1.83 118.70 132.19 2kvt s GLU 43 Ca 0.05 -0.23 0.03 0.00 0.01 0.00 0.00 54.97 54.83 2kvt s GLU 43 Cb -0.01 -3.38 -0.02 0.00 -4.31 0.00 0.00 34.13 26.41 2kvt s GLU 43 CO -0.05 0.34 -0.08 -1.01 0.01 0.00 0.00 175.26 174.47 2kvt s HIS 44 N 0.25 0.72 -0.27 1.61 3.76 -0.12 -4.95 115.29 116.28 2kvt s HIS 44 Ca 0.08 -0.38 0.28 0.00 -0.15 0.00 0.00 55.06 54.89 2kvt s HIS 44 Cb -0.11 -0.43 0.89 0.00 1.11 0.00 0.00 32.58 34.03 2kvt s HIS 44 CO -0.01 -0.04 1.79 -1.00 -0.85 0.00 0.00 174.74 174.63 2kvt h PRO 45 N 4.91 0.00 -6.66 8.40 0.13 -1.86 0.61 132.00 137.53 2kvt h PRO 45 Ca -0.34 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.12 2kvt h PRO 45 Cb 1.20 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.15 2kvt h PRO 45 CO 0.43 0.00 -0.79 0.95 -0.23 0.00 0.00 178.00 178.36 2kvt s THR 46 N -3.39 2.78 0.20 1.56 -4.23 -1.26 -4.76 115.64 106.53 2kvt s THR 46 Ca 0.05 -1.65 -0.03 0.00 -1.18 0.00 0.00 61.69 58.87 2kvt s THR 46 Cb 0.08 -2.30 -0.03 0.00 1.34 0.00 0.00 72.50 71.59 2kvt s THR 46 CO 0.57 0.02 1.54 0.00 -0.54 0.00 0.00 174.62 176.21 2kvt h ALA 47 N 3.48 0.75 -0.84 3.99 0.00 -1.98 -3.24 119.26 121.42 2kvt h ALA 47 Ca -0.49 -0.48 0.07 0.00 0.00 0.00 0.00 54.91 54.01 2kvt h ALA 47 Cb 1.18 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 2kvt h ALA 47 CO 0.47 0.67 0.51 0.37 0.00 0.00 0.00 179.25 181.27 2kvt h GLN 48 N 0.48 0.89 0.07 0.00 5.75 -1.98 0.13 115.11 120.45 2kvt h GLN 48 Ca 0.03 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 2kvt h GLN 48 Cb 1.00 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 29.35 2kvt h GLN 48 CO 0.09 0.59 -0.06 0.93 -2.65 0.00 0.00 178.83 177.73 2kvt h GLU 49 N 0.92 -0.14 -0.58 1.69 5.08 -1.97 -0.07 114.58 119.50 2kvt h GLU 49 Ca 0.37 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.68 2kvt h GLU 49 Cb 0.20 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2kvt h GLU 49 CO -0.19 -0.09 0.13 0.00 -1.00 0.00 0.00 179.01 177.87 2kvt h ALA 50 N 0.79 1.14 -0.25 3.43 0.00 -1.43 -1.15 119.26 121.79 2kvt h ALA 50 Ca 0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2kvt h ALA 50 Cb 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2kvt h ALA 50 CO -0.02 0.58 -0.12 0.52 0.00 0.00 0.00 179.25 180.22 2kvt h MET 51 N 0.87 0.52 -0.13 0.00 2.86 -0.63 0.70 114.93 119.12 2kvt h MET 51 Ca 0.19 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2kvt h MET 51 Cb 0.33 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 2kvt h MET 51 CO 0.00 0.78 0.07 0.22 1.06 0.00 0.00 176.91 179.04 2kvt h ASP 52 N 0.25 0.16 -0.20 1.22 3.58 -0.86 -0.51 116.42 120.05 2kvt h ASP 52 Ca 0.06 -0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.38 2kvt h ASP 52 Cb 0.62 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.61 2kvt h ASP 52 CO 0.04 0.20 0.01 0.00 -2.88 0.00 0.00 179.24 176.61 2kvt h ALA 53 N 0.96 1.46 0.68 -0.78 0.00 -1.23 -0.44 119.26 119.91 2kvt h ALA 53 Ca 0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2kvt h ALA 53 Cb 0.08 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.74 2kvt h ALA 53 CO -0.01 0.39 -0.33 -0.22 0.00 0.00 0.00 179.25 179.08 2kvt h LYS 54 N 0.45 -0.88 -0.64 0.00 3.64 -0.45 0.78 116.57 119.47 2kvt h LYS 54 Ca 0.10 0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.61 2kvt h LYS 54 Cb 0.27 0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 32.23 2kvt h LYS 54 CO 0.01 -0.56 0.32 0.87 -2.27 0.00 0.00 179.45 177.81 2kvt h LYS 55 N -1.00 0.56 -0.52 1.90 1.57 -0.96 0.46 116.57 118.58 2kvt h LYS 55 Ca -0.09 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2kvt h LYS 55 Cb 0.72 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 2kvt h LYS 55 CO 0.15 0.37 0.30 -0.09 -0.57 0.00 0.00 179.45 179.62 2kvt h ARG 56 N 0.58 0.71 -0.50 3.15 2.43 -1.04 -2.90 114.38 116.80 2kvt h ARG 56 Ca 0.30 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.29 2kvt h ARG 56 Cb 0.26 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 2kvt h ARG 56 CO -0.22 0.53 -0.12 -0.92 -1.51 0.00 0.00 179.97 177.73 2kvt h TYR 57 N 0.69 1.05 0.00 2.20 3.20 -0.22 -2.90 116.97 120.99 2kvt h TYR 57 Ca 0.18 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 61.84 2kvt h TYR 57 Cb 0.01 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.02 2kvt h TYR 57 CO -0.02 0.99 0.00 0.39 -1.64 0.00 0.00 178.16 177.88 2kvt n GLU 58 N -4.14 0.28 -3.02 1.82 1.02 0.10 -4.44 120.64 112.25 2kvt n GLU 58 Ca 0.01 0.10 -0.36 0.00 -0.02 0.00 0.00 57.16 56.90 2kvt n GLU 58 Cb 0.40 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.25 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 -2.54 7.10 -1.09 1.62 1.01 -1.10 -3.78 116.67 117.90 2kvt s ASP 59 Ca 0.18 1.51 -0.23 0.00 0.71 0.00 0.00 52.55 54.73 2kvt s ASP 59 Cb 0.13 -2.46 -0.04 0.00 1.01 0.00 0.00 42.92 41.56 2kvt s ASP 59 CO 0.28 -0.01 1.88 -2.16 0.21 0.00 0.00 175.17 175.36 2kvt s PRO 60 N -2.07 2.77 0.00 8.23 0.04 -1.26 -4.60 135.00 138.11 2kvt s PRO 60 Ca 0.46 -0.95 0.00 0.00 0.04 0.00 0.00 61.00 60.55 2kvt s PRO 60 Cb -0.17 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 29.15 2kvt s PRO 60 CO 0.21 -3.43 0.69 -3.47 0.04 0.00 0.00 177.00 171.04 2kvt n ASP 61 N 13.12 0.00 -4.69 6.66 2.03 -1.26 -4.77 116.55 127.64 2kvt n ASP 61 Ca 0.43 0.82 -0.42 0.00 0.52 0.00 0.00 54.79 56.14 2kvt n ASP 61 Cb 0.47 -0.45 -0.03 0.00 -0.72 0.00 0.00 41.12 40.38 2kvt n ASP 61 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2kvt s LYS 62 N -2.30 4.44 0.54 -0.67 2.47 -1.26 -5.06 119.74 117.90 2kvt s LYS 62 Ca 0.00 1.25 0.02 0.00 -1.56 0.00 0.00 55.97 55.68 2kvt s LYS 62 Cb 0.00 -3.51 0.10 0.00 -1.46 0.00 0.00 37.83 32.96 2kvt s LYS 62 CO 0.00 -0.18 0.74 0.39 0.16 0.00 0.00 175.35 176.46 2kvt n GLU 63 N 4.54 0.24 -0.83 4.03 1.02 -1.26 -4.46 120.64 123.91 2kvt n GLU 63 Ca 0.06 -2.23 0.00 0.00 -0.02 0.00 0.00 57.16 54.97 2kvt n GLU 63 Cb 0.50 -0.42 0.00 0.00 -0.02 0.00 0.00 31.44 31.50 2kvt n GLU 63 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2kvt n LEU 64 N 0.00 0.79 -0.48 -4.62 4.32 -1.26 -4.83 117.00 110.92 2kvt n LEU 64 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.12 2kvt n LEU 64 Cb 0.47 -1.71 0.01 0.00 -1.62 0.00 0.00 43.42 40.56 2kvt n LEU 64 CO 0.31 -0.63 0.29 -0.62 -1.22 0.00 0.00 177.39 175.52 2kvt n GLU 65 N -0.73 1.08 0.00 3.23 -0.58 -1.26 -3.61 120.64 118.76 2kvt n GLU 65 Ca 0.00 -0.06 0.12 0.00 -0.42 0.00 0.00 57.16 56.80 2kvt n GLU 65 Cb 0.23 -1.47 0.57 0.00 -0.57 0.00 0.00 31.44 30.20 2kvt n GLU 65 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2kvt n HIS 66 N -0.03 0.00 0.21 -0.32 8.25 -1.26 -3.80 115.22 118.27 2kvt n HIS 66 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2kvt n HIS 66 Cb 0.24 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 30.92 2kvt n HIS 66 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2kvt n HIS 67 N -1.43 0.00 -3.81 4.41 1.44 -1.24 -4.75 115.22 109.84 2kvt n HIS 67 Ca 0.08 -0.57 -0.12 0.00 -2.01 0.00 0.00 57.72 55.10 2kvt n HIS 67 Cb 0.26 -0.32 -0.11 0.00 0.12 0.00 0.00 29.99 29.93 2kvt n HIS 67 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kvt s HIS 68 N 0.35 -0.18 0.52 -1.40 5.04 -1.25 -5.15 115.29 113.21 2kvt s HIS 68 Ca 0.00 0.43 -0.22 0.00 -1.54 0.00 0.00 55.06 53.73 2kvt s HIS 68 Cb 0.00 0.06 -0.06 0.00 0.04 0.00 0.00 32.58 32.61 2kvt s HIS 68 CO 0.00 -0.15 1.26 1.58 -2.34 0.00 0.00 174.74 175.09 2kvt n HIS 69 N 2.64 1.99 -3.24 3.88 -0.00 -1.26 -5.04 115.22 114.20 2kvt n HIS 69 Ca -0.15 0.45 0.00 0.00 -0.00 0.00 0.00 57.72 58.03 2kvt n HIS 69 Cb 0.58 -2.33 0.00 0.00 -0.00 0.00 0.00 29.99 28.24 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 -0.89 -0.55 0.15 1.57 -0.00 -1.26 -5.17 115.22 109.07 2kvt n HIS 70 Ca 0.10 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.84 2kvt n HIS 70 Cb 0.43 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.44 2kvt n HIS 70 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95