#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 1.03 -1.92 0.03 -0.02 -1.26 -4.86 135.00 128.00 2kvt n PRO 2 Ca 0.00 -0.02 -0.24 0.00 -2.02 0.00 0.00 63.50 61.22 2kvt n PRO 2 Cb 0.00 -3.45 -0.07 0.00 -0.02 0.00 0.00 33.50 29.96 2kvt n PRO 2 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2kvt s THR 3 N 12.31 3.37 -0.19 3.45 -4.23 -1.26 -4.83 115.64 124.26 2kvt s THR 3 Ca 0.98 -0.53 -0.22 0.00 -1.18 0.00 0.00 61.69 60.73 2kvt s THR 3 Cb -0.17 -4.18 0.06 0.00 1.34 0.00 0.00 72.50 69.55 2kvt s THR 3 CO 0.26 -0.70 0.61 -1.59 -0.54 0.00 0.00 174.62 172.66 2kvt s LYS 4 N 7.23 0.77 0.40 3.99 -2.85 -1.26 -5.16 119.74 122.85 2kvt s LYS 4 Ca 0.74 0.71 -0.25 0.00 -1.00 0.00 0.00 55.97 56.17 2kvt s LYS 4 Cb -0.04 0.37 -0.11 0.00 -2.06 0.00 0.00 37.83 35.99 2kvt s LYS 4 CO 0.10 -0.13 1.14 -2.30 0.10 0.00 0.00 175.35 174.27 2kvt n PRO 5 N 2.40 1.65 -0.54 1.78 -0.02 -1.26 -5.00 135.00 134.01 2kvt n PRO 5 Ca -0.15 0.59 -0.30 0.00 -2.02 0.00 0.00 63.50 61.61 2kvt n PRO 5 Cb 0.56 -2.19 0.28 0.00 -0.02 0.00 0.00 33.50 32.13 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 -2.04 -2.57 -0.87 0.52 0.04 -1.26 -4.48 135.00 124.34 2kvt s PRO 6 Ca 0.61 0.07 -0.04 0.00 0.04 0.00 0.00 61.00 61.69 2kvt s PRO 6 Cb -0.55 -1.42 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 2kvt s PRO 6 CO 0.58 -4.63 0.77 0.98 0.04 0.00 0.00 177.00 174.74 2kvt n TYR 7 N -5.44 -2.36 1.00 0.56 9.36 -1.26 -4.94 117.16 114.07 2kvt n TYR 7 Ca 0.13 0.85 0.10 0.00 3.32 0.00 0.00 57.90 62.30 2kvt n TYR 7 Cb 0.60 -3.94 0.32 0.00 -0.63 0.00 0.00 39.34 35.69 2kvt n TYR 7 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2kvt n PRO 8 N -2.66 1.89 -3.59 2.98 -0.04 -1.26 -4.91 135.00 127.41 2kvt n PRO 8 Ca -0.04 -1.35 -0.12 0.00 -0.04 0.00 0.00 63.50 61.95 2kvt n PRO 8 Cb 0.58 -1.40 -0.06 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.70 0.69 0.01 0.54 1.70 -1.26 -4.88 118.95 114.06 2kvt s ARG 9 Ca 0.32 0.38 -0.18 0.00 -0.47 0.00 0.00 55.73 55.78 2kvt s ARG 9 Cb 0.18 0.33 0.03 0.00 -0.57 0.00 0.00 34.95 34.92 2kvt s ARG 9 CO 0.26 -0.17 0.40 -2.00 -1.08 0.00 0.00 175.30 172.71 2kvt s GLU 10 N -0.61 0.84 0.36 3.89 -6.30 -1.26 -5.02 118.70 110.59 2kvt s GLU 10 Ca -0.02 -0.24 0.08 0.00 -2.50 0.00 0.00 54.97 52.29 2kvt s GLU 10 Cb -0.02 0.38 -0.05 0.00 0.00 0.00 0.00 34.13 34.44 2kvt s GLU 10 CO 0.01 -0.27 0.13 0.00 0.02 0.00 0.00 175.26 175.15 2kvt s ALA 11 N -1.92 3.46 -0.15 6.30 0.00 -1.26 -0.79 121.76 127.40 2kvt s ALA 11 Ca -0.09 -1.93 -0.21 0.00 0.00 0.00 0.00 51.96 49.73 2kvt s ALA 11 Cb -0.02 -0.57 0.05 0.00 0.00 0.00 0.00 23.12 22.58 2kvt s ALA 11 CO 0.01 -0.01 0.55 1.52 0.00 0.00 0.00 175.76 177.84 2kvt s TYR 12 N -2.49 -0.57 -0.40 0.00 1.13 1.00 -4.97 117.35 111.05 2kvt s TYR 12 Ca 0.38 1.26 -0.17 0.00 -1.41 0.00 0.00 57.07 57.13 2kvt s TYR 12 Cb -0.00 0.24 0.01 0.00 -1.10 0.00 0.00 41.96 41.11 2kvt s TYR 12 CO 0.22 -0.38 0.42 0.42 -2.51 0.00 0.00 175.55 173.72 2kvt s ILE 13 N -0.25 5.11 -0.19 -3.49 1.01 -1.26 -1.02 121.20 121.11 2kvt s ILE 13 Ca -0.04 -0.26 -0.06 0.00 0.00 0.00 0.00 60.65 60.29 2kvt s ILE 13 Cb -0.03 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 2kvt s ILE 13 CO 0.03 -0.34 0.03 -0.69 0.00 0.00 0.00 174.94 173.97 2kvt s VAL 14 N 2.10 4.34 -0.18 2.92 1.01 0.21 -4.88 120.40 125.93 2kvt s VAL 14 Ca 0.12 -0.19 -0.23 0.00 0.00 0.00 0.00 61.98 61.69 2kvt s VAL 14 Cb -0.17 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 2kvt s VAL 14 CO 0.13 0.44 0.71 0.42 0.00 0.00 0.00 175.10 176.79 2kvt s THR 15 N 0.75 4.97 0.18 3.92 -4.23 -1.26 -0.42 115.64 119.55 2kvt s THR 15 Ca 0.02 1.37 0.09 0.00 -1.18 0.00 0.00 61.69 61.98 2kvt s THR 15 Cb -0.14 -4.02 -0.04 0.00 1.34 0.00 0.00 72.50 69.64 2kvt s THR 15 CO 0.02 0.09 -0.10 0.27 -0.54 0.00 0.00 174.62 174.36 2kvt s ILE 16 N 1.89 3.15 -0.41 2.99 -4.36 0.04 -4.93 121.20 119.58 2kvt s ILE 16 Ca 0.33 -1.67 -0.14 0.00 -0.26 0.00 0.00 60.65 58.90 2kvt s ILE 16 Cb -0.16 -2.56 0.02 0.00 1.25 0.00 0.00 42.46 41.01 2kvt s ILE 16 CO 0.12 -0.11 0.29 -1.61 0.24 0.00 0.00 174.94 173.87 2kvt s GLU 17 N -2.82 2.94 0.55 0.37 0.41 -1.26 -1.17 118.70 117.72 2kvt s GLU 17 Ca 0.25 -1.05 0.08 0.00 -0.41 0.00 0.00 54.97 53.83 2kvt s GLU 17 Cb -0.09 -3.95 0.06 0.00 -1.78 0.00 0.00 34.13 28.37 2kvt s GLU 17 CO 0.15 -0.76 0.60 0.15 -0.49 0.00 0.00 175.26 174.91 2kvt s LYS 18 N 1.66 2.32 2.73 1.61 1.02 -0.48 -4.88 119.74 123.72 2kvt s LYS 18 Ca 0.04 -1.78 0.00 0.00 0.02 0.00 0.00 55.97 54.26 2kvt s LYS 18 Cb -0.19 -2.41 0.00 0.00 -0.52 0.00 0.00 37.83 34.71 2kvt s LYS 18 CO 0.09 -0.70 0.00 0.41 -0.92 0.00 0.00 175.35 174.24 2kvt n GLY 19 N -1.99 0.63 3.91 -3.33 0.00 -1.26 -0.27 105.19 102.88 2kvt n GLY 19 Ca 0.08 -1.15 -0.21 0.00 0.00 0.00 0.00 46.02 44.74 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 3.20 0.25 1.61 1.02 -0.83 -4.98 119.74 120.01 2kvt s LYS 20 Ca 0.00 -0.91 -0.31 0.00 0.02 0.00 0.00 55.97 54.77 2kvt s LYS 20 Cb 0.00 -2.75 -0.12 0.00 -0.52 0.00 0.00 37.83 34.45 2kvt s LYS 20 CO 0.00 0.38 1.66 -2.14 -0.92 0.00 0.00 175.35 174.33 2kvt s PRO 21 N -3.94 4.12 0.00 -1.68 0.02 -1.26 -3.00 135.00 129.26 2kvt s PRO 21 Ca 0.35 2.59 0.00 0.00 0.02 0.00 0.00 61.00 63.96 2kvt s PRO 21 Cb -0.08 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.38 2kvt s PRO 21 CO 0.28 -0.69 0.00 0.41 -0.33 0.00 0.00 177.00 176.66 2kvt n GLY 22 N 3.11 1.65 3.21 0.52 0.00 -1.26 -4.74 105.19 107.69 2kvt n GLY 22 Ca 0.12 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 3.38 -3.04 1.61 1.13 -1.22 -4.99 117.38 114.25 2kvt n GLN 23 Ca 0.00 -3.55 -0.22 0.00 -1.94 0.00 0.00 57.00 51.29 2kvt n GLN 23 Cb 0.00 -3.09 0.01 0.00 0.11 0.00 0.00 30.24 27.27 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 1.68 3.91 -0.25 5.09 -4.23 -1.16 -1.97 115.64 118.70 2kvt s THR 24 Ca 0.44 -0.60 0.02 0.00 -1.18 0.00 0.00 61.69 60.37 2kvt s THR 24 Cb 0.04 -3.43 0.06 0.00 1.34 0.00 0.00 72.50 70.51 2kvt s THR 24 CO 0.01 -0.28 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.03 2kvt s VAL 25 N -2.50 1.92 -0.31 2.29 1.01 0.63 -4.93 120.40 118.50 2kvt s VAL 25 Ca 0.48 -1.45 -0.29 0.00 0.00 0.00 0.00 61.98 60.73 2kvt s VAL 25 Cb -0.10 -2.07 0.01 0.00 0.00 0.00 0.00 36.38 34.22 2kvt s VAL 25 CO 0.37 -0.03 1.18 -0.89 0.00 0.00 0.00 175.10 175.73 2kvt s THR 26 N 1.22 4.32 -0.08 3.92 2.01 -1.26 -1.38 115.64 124.40 2kvt s THR 26 Ca -0.07 1.51 -0.01 0.00 0.31 0.00 0.00 61.69 63.43 2kvt s THR 26 Cb -0.19 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 67.98 2kvt s THR 26 CO -0.06 -0.50 -0.03 0.26 -0.69 0.00 0.00 174.62 173.61 2kvt s TRP 27 N 4.00 3.06 -0.36 4.92 0.52 -0.32 -4.85 118.94 125.92 2kvt s TRP 27 Ca 0.51 0.12 -0.19 0.00 0.02 0.00 0.00 56.10 56.55 2kvt s TRP 27 Cb -0.14 -1.75 0.00 0.00 -1.15 0.00 0.00 33.47 30.43 2kvt s TRP 27 CO 0.20 0.41 0.58 0.71 0.02 0.00 0.00 176.95 178.86 2kvt s TYR 28 N -0.85 3.16 -0.32 -1.98 1.51 0.45 -0.78 117.35 118.53 2kvt s TYR 28 Ca 0.13 0.22 -0.14 0.00 -1.01 0.00 0.00 57.07 56.27 2kvt s TYR 28 Cb -0.11 -3.05 -0.02 0.00 -0.11 0.00 0.00 41.96 38.66 2kvt s TYR 28 CO 0.02 -0.61 0.31 -0.65 -1.11 0.00 0.00 175.55 173.52 2kvt s GLN 29 N 2.56 3.70 -0.60 -0.62 -0.21 0.44 -1.07 119.66 123.87 2kvt s GLN 29 Ca 0.21 -0.35 -0.24 0.00 0.02 0.00 0.00 55.36 55.00 2kvt s GLN 29 Cb -0.15 -3.75 0.05 0.00 1.00 0.00 0.00 33.01 30.15 2kvt s GLN 29 CO 0.14 -0.41 1.00 -1.17 -2.12 0.00 0.00 175.29 172.74 2kvt s LEU 30 N 1.94 4.02 0.04 2.90 2.96 -0.77 -0.62 118.68 129.15 2kvt s LEU 30 Ca 0.11 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.54 2kvt s LEU 30 Cb -0.16 -2.72 -0.04 0.00 0.50 0.00 0.00 46.19 43.76 2kvt s LEU 30 CO 0.11 -1.37 0.11 -0.13 -1.32 0.00 0.00 176.35 173.76 2kvt s ARG 31 N 4.25 3.08 0.10 1.98 0.52 -0.18 0.26 118.95 128.95 2kvt s ARG 31 Ca 0.30 -0.55 0.09 0.00 -0.52 0.00 0.00 55.73 55.04 2kvt s ARG 31 Cb -0.13 -2.85 -0.03 0.00 0.52 0.00 0.00 34.95 32.45 2kvt s ARG 31 CO 0.17 0.61 -0.22 0.00 0.02 0.00 0.00 175.30 175.88 2kvt s ALA 32 N -1.34 1.91 0.35 2.13 0.00 -0.48 -0.00 121.76 124.32 2kvt s ALA 32 Ca 0.28 -1.26 0.25 0.00 0.00 0.00 0.00 51.96 51.24 2kvt s ALA 32 Cb -0.12 -0.29 1.28 0.00 0.00 0.00 0.00 23.12 23.99 2kvt s ALA 32 CO 0.20 0.40 2.00 0.22 0.00 0.00 0.00 175.76 178.59 2kvt h ASP 33 N 4.18 0.00 -4.39 0.00 3.58 -1.12 -3.25 116.42 115.41 2kvt h ASP 33 Ca -0.46 0.00 -0.65 0.00 0.42 0.00 0.00 57.03 56.34 2kvt h ASP 33 Cb 1.17 0.00 -0.28 0.00 1.72 0.00 0.00 39.33 41.95 2kvt h ASP 33 CO 0.40 0.16 -0.87 -1.00 -2.88 0.00 0.00 179.24 175.06 2kvt s HIS 34 N -4.09 2.09 0.19 0.28 3.76 -1.26 -2.76 115.29 113.50 2kvt s HIS 34 Ca -0.02 -0.39 0.12 0.00 -0.15 0.00 0.00 55.06 54.61 2kvt s HIS 34 Cb 0.13 -1.29 0.28 0.00 1.11 0.00 0.00 32.58 32.80 2kvt s HIS 34 CO 0.61 0.04 1.56 -1.00 -0.85 0.00 0.00 174.74 175.10 2kvt h PRO 35 N 5.16 0.00 -6.55 8.40 0.13 -1.97 -3.47 132.00 133.70 2kvt h PRO 35 Ca -0.43 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.03 2kvt h PRO 35 Cb 1.14 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.00 2kvt h PRO 35 CO 0.45 0.64 -0.87 0.15 -0.23 0.00 0.00 178.00 178.14 2kvt s LYS 36 N -3.38 1.74 0.49 0.86 1.02 -1.24 -5.05 119.74 114.18 2kvt s LYS 36 Ca -0.00 -1.04 0.25 0.00 0.02 0.00 0.00 55.97 55.20 2kvt s LYS 36 Cb 0.11 -1.86 1.31 0.00 -0.52 0.00 0.00 37.83 36.87 2kvt s LYS 36 CO 0.76 0.49 1.90 -1.00 -0.92 0.00 0.00 175.35 176.58 2kvt h PRO 37 N 4.92 0.15 -0.62 -1.68 0.13 -1.64 -0.28 132.00 132.99 2kvt h PRO 37 Ca -0.45 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.63 2kvt h PRO 37 Cb 1.14 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 2kvt h PRO 37 CO 0.44 0.10 0.05 -0.25 -0.23 0.00 0.00 178.00 178.12 2kvt n ASP 38 N -4.38 5.57 -4.56 1.44 8.00 -1.26 -3.79 116.55 117.58 2kvt n ASP 38 Ca 0.17 -2.98 -0.37 0.00 0.71 0.00 0.00 54.79 52.31 2kvt n ASP 38 Cb 0.77 -0.70 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 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 -0.81 4.71 -0.47 -2.24 0.01 -0.12 -4.82 113.70 109.96 2kvt s SER 39 Ca 0.55 1.02 -0.28 0.00 1.31 0.00 0.00 55.95 58.54 2kvt s SER 39 Cb 0.42 -2.51 -0.00 0.00 0.21 0.00 0.00 66.02 64.14 2kvt s SER 39 CO 0.15 -2.68 1.61 -0.22 0.41 0.00 0.00 173.24 172.51 2kvt s LEU 40 N 11.17 3.45 0.02 2.44 2.96 -1.26 -1.39 118.68 136.07 2kvt s LEU 40 Ca 0.92 0.70 -0.26 0.00 -0.22 0.00 0.00 54.13 55.27 2kvt s LEU 40 Cb -0.18 -3.19 -0.17 0.00 0.50 0.00 0.00 46.19 43.16 2kvt s LEU 40 CO 0.26 -1.78 1.34 0.40 -1.32 0.00 0.00 176.35 175.25 2kvt h ILE 41 N 6.62 0.69 -1.54 6.68 1.08 -0.54 -3.48 117.51 127.02 2kvt h ILE 41 Ca -0.29 -0.47 0.09 0.00 -0.39 0.00 0.00 64.86 63.80 2kvt h ILE 41 Cb 1.13 0.93 -0.23 0.00 -3.07 0.00 0.00 36.82 35.58 2kvt h ILE 41 CO 1.12 0.09 0.56 -0.55 -0.69 0.00 0.00 178.15 178.69 2kvt s SER 42 N -5.01 -0.36 -0.22 1.72 0.15 -1.23 -5.03 113.70 103.73 2kvt s SER 42 Ca -0.15 0.40 -0.09 0.00 0.70 0.00 0.00 55.95 56.82 2kvt s SER 42 Cb 0.03 0.30 -0.04 0.00 -1.71 0.00 0.00 66.02 64.60 2kvt s SER 42 CO 0.57 -0.32 0.10 -1.61 1.20 0.00 0.00 173.24 173.18 2kvt s GLU 43 N -1.07 3.91 0.07 5.44 2.02 -1.26 -1.85 118.70 125.96 2kvt s GLU 43 Ca -0.01 -0.36 0.06 0.00 0.02 0.00 0.00 54.97 54.68 2kvt s GLU 43 Cb -0.01 -3.37 -0.03 0.00 0.10 0.00 0.00 34.13 30.83 2kvt s GLU 43 CO 0.01 0.05 -0.17 -1.01 0.02 0.00 0.00 175.26 174.17 2kvt s HIS 44 N 1.01 1.46 -0.04 1.61 3.76 -0.23 -4.95 115.29 117.90 2kvt s HIS 44 Ca 0.05 -0.42 0.28 0.00 -0.15 0.00 0.00 55.06 54.82 2kvt s HIS 44 Cb -0.14 -0.82 0.92 0.00 1.11 0.00 0.00 32.58 33.65 2kvt s HIS 44 CO 0.03 0.10 1.82 -1.00 -0.85 0.00 0.00 174.74 174.85 2kvt h PRO 45 N 4.41 0.00 -6.70 8.40 0.13 -1.88 0.13 132.00 136.49 2kvt h PRO 45 Ca -0.42 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.04 2kvt h PRO 45 Cb 1.18 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.12 2kvt h PRO 45 CO 0.41 0.09 -0.82 0.95 -0.23 0.00 0.00 178.00 178.39 2kvt s THR 46 N -3.50 2.51 0.25 1.56 -4.23 -1.26 -4.73 115.64 106.23 2kvt s THR 46 Ca 0.03 -1.83 0.01 0.00 -1.18 0.00 0.00 61.69 58.72 2kvt s THR 46 Cb 0.08 -2.17 0.03 0.00 1.34 0.00 0.00 72.50 71.78 2kvt s THR 46 CO 0.61 -0.02 1.66 0.00 -0.54 0.00 0.00 174.62 176.32 2kvt h ALA 47 N 3.44 0.98 -0.38 3.99 0.00 -1.97 -3.25 119.26 122.07 2kvt h ALA 47 Ca -0.48 -0.39 0.07 0.00 0.00 0.00 0.00 54.91 54.11 2kvt h ALA 47 Cb 1.19 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 2kvt h ALA 47 CO 0.46 0.61 -0.02 0.37 0.00 0.00 0.00 179.25 180.66 2kvt h GLN 48 N 0.45 0.08 -0.62 0.00 5.75 -1.98 0.20 115.11 118.97 2kvt h GLN 48 Ca 0.05 -0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.57 2kvt h GLN 48 Cb 0.79 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.28 2kvt h GLN 48 CO 0.06 0.05 0.39 0.93 -2.65 0.00 0.00 178.83 177.61 2kvt h GLU 49 N 0.08 0.74 -0.50 1.69 5.08 -1.98 -0.02 114.58 119.66 2kvt h GLU 49 Ca 0.19 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.39 2kvt h GLU 49 Cb 0.27 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2kvt h GLU 49 CO -0.33 0.49 -0.12 0.00 -1.00 0.00 0.00 179.01 178.05 2kvt h ALA 50 N 1.27 0.69 -0.49 3.43 0.00 -1.40 -1.98 119.26 120.77 2kvt h ALA 50 Ca 0.25 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2kvt h ALA 50 Cb 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2kvt h ALA 50 CO -0.10 0.61 0.13 0.52 0.00 0.00 0.00 179.25 180.40 2kvt h MET 51 N 0.83 0.78 -0.16 0.00 2.86 -0.39 -0.09 114.93 118.77 2kvt h MET 51 Ca 0.13 -0.18 0.04 0.00 -2.06 0.00 0.00 59.70 57.62 2kvt h MET 51 Cb 0.68 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.19 2kvt h MET 51 CO 0.05 0.75 -0.11 0.22 1.06 0.00 0.00 176.91 178.88 2kvt h ASP 52 N 0.67 -0.36 -0.47 1.22 1.82 -0.93 -1.16 116.42 117.22 2kvt h ASP 52 Ca 0.16 0.08 -0.02 0.00 -0.39 0.00 0.00 57.03 56.86 2kvt h ASP 52 Cb 0.32 0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.49 2kvt h ASP 52 CO 0.00 -0.15 0.24 0.00 -1.61 0.00 0.00 179.24 177.72 2kvt h ALA 53 N 1.01 1.47 0.50 -0.78 0.00 -1.17 0.01 119.26 120.31 2kvt h ALA 53 Ca 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2kvt h ALA 53 Cb 0.26 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2kvt h ALA 53 CO -0.23 0.42 -0.24 -0.22 0.00 0.00 0.00 179.25 178.98 2kvt h LYS 54 N 0.71 -0.65 -0.65 0.00 3.64 -0.39 0.25 116.57 119.48 2kvt h LYS 54 Ca 0.18 0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.62 2kvt h LYS 54 Cb 0.08 0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 2kvt h LYS 54 CO -0.02 -0.36 0.41 0.87 -2.27 0.00 0.00 179.45 178.08 2kvt h LYS 55 N -0.86 0.80 -0.04 1.90 6.56 -1.14 -2.18 116.57 121.60 2kvt h LYS 55 Ca -0.07 -0.05 -0.06 0.00 -1.06 0.00 0.00 60.65 59.41 2kvt h LYS 55 Cb 0.59 -0.18 -0.01 0.00 -0.57 0.00 0.00 32.23 32.06 2kvt h LYS 55 CO 0.11 0.53 -0.27 -0.09 -2.06 0.00 0.00 179.45 177.67 2kvt h ARG 56 N 0.82 0.07 -0.41 3.15 2.43 -0.92 -1.63 114.38 117.89 2kvt h ARG 56 Ca 0.25 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.30 2kvt h ARG 56 Cb -0.02 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2kvt h ARG 56 CO -0.09 0.34 -0.15 -0.92 -1.51 0.00 0.00 179.97 177.65 2kvt h TYR 57 N 0.07 0.95 0.00 2.20 3.20 -0.07 -3.02 116.97 120.29 2kvt h TYR 57 Ca 0.01 -0.22 0.00 0.00 3.14 0.00 0.00 58.73 61.66 2kvt h TYR 57 Cb 0.52 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.56 2kvt h TYR 57 CO 0.00 0.97 0.00 0.39 -1.64 0.00 0.00 178.16 177.88 2kvt n GLU 58 N -4.27 0.13 -1.61 1.82 -0.58 -0.86 -4.84 120.64 110.43 2kvt n GLU 58 Ca -0.01 0.05 -0.46 0.00 -0.42 0.00 0.00 57.16 56.32 2kvt n GLU 58 Cb 0.40 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.73 2kvt n GLU 58 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2kvt n ASP 59 N -1.43 3.32 -4.53 1.62 2.03 -0.66 -4.88 116.55 112.02 2kvt n ASP 59 Ca 0.08 0.62 -0.42 0.00 0.52 0.00 0.00 54.79 55.59 2kvt n ASP 59 Cb 0.27 -1.44 -0.02 0.00 -0.72 0.00 0.00 41.12 39.21 2kvt n ASP 59 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2kvt s PRO 60 N 5.24 3.67 -0.85 -0.67 0.04 -1.26 -4.95 135.00 136.21 2kvt s PRO 60 Ca 0.97 -1.48 -0.24 0.00 0.04 0.00 0.00 61.00 60.29 2kvt s PRO 60 Cb -0.56 -5.24 0.05 0.00 0.04 0.00 0.00 34.50 28.80 2kvt s PRO 60 CO 0.44 -2.07 1.28 0.34 0.04 0.00 0.00 177.00 177.03 2kvt s ASP 61 N 4.40 6.33 -0.21 6.66 2.15 -1.26 -4.96 116.67 129.79 2kvt s ASP 61 Ca 0.43 -1.06 -0.05 0.00 0.43 0.00 0.00 52.55 52.30 2kvt s ASP 61 Cb -0.01 -2.53 0.10 0.00 -0.30 0.00 0.00 42.92 40.19 2kvt s ASP 61 CO -0.07 -1.58 0.39 -0.75 -0.17 0.00 0.00 175.17 172.99 2kvt s LYS 62 N 4.91 0.32 -0.13 4.34 2.47 -1.26 -5.13 119.74 125.25 2kvt s LYS 62 Ca 0.37 0.84 -0.29 0.00 -1.56 0.00 0.00 55.97 55.32 2kvt s LYS 62 Cb -0.06 0.02 -0.02 0.00 -1.46 0.00 0.00 37.83 36.31 2kvt s LYS 62 CO 0.03 -0.39 1.30 -1.21 0.16 0.00 0.00 175.35 175.23 2kvt s GLU 63 N 2.57 4.24 0.28 4.03 0.41 -1.26 -5.01 118.70 123.96 2kvt s GLU 63 Ca 0.04 1.73 -0.02 0.00 -0.41 0.00 0.00 54.97 56.31 2kvt s GLU 63 Cb -0.13 -3.75 -0.02 0.00 -1.78 0.00 0.00 34.13 28.44 2kvt s GLU 63 CO -0.13 -0.68 0.33 -0.48 -0.49 0.00 0.00 175.26 173.80 2kvt s LEU 64 N 3.35 1.06 -0.48 1.80 0.05 -1.26 -5.13 118.68 118.08 2kvt s LEU 64 Ca 0.57 -1.40 -0.16 0.00 0.05 0.00 0.00 54.13 53.20 2kvt s LEU 64 Cb -0.24 1.01 0.07 0.00 -2.05 0.00 0.00 46.19 44.98 2kvt s LEU 64 CO 0.18 -1.08 0.41 -1.61 -0.55 0.00 0.00 176.35 173.70 2kvt s GLU 65 N -3.67 2.98 0.37 1.48 0.41 -1.26 -5.08 118.70 113.93 2kvt s GLU 65 Ca 0.34 -1.35 -0.12 0.00 -0.41 0.00 0.00 54.97 53.43 2kvt s GLU 65 Cb 0.02 -4.14 -0.07 0.00 -1.78 0.00 0.00 34.13 28.16 2kvt s GLU 65 CO 0.17 -1.05 0.75 -3.38 -0.49 0.00 0.00 175.26 171.26 2kvt s HIS 66 N 1.67 3.43 -0.28 1.61 -3.43 -1.26 -4.98 115.29 112.06 2kvt s HIS 66 Ca 0.04 1.10 -0.32 0.00 -0.80 0.00 0.00 55.06 55.08 2kvt s HIS 66 Cb -0.24 -2.47 -0.09 0.00 -1.43 0.00 0.00 32.58 28.35 2kvt s HIS 66 CO 0.07 -0.01 2.18 1.58 -2.00 0.00 0.00 174.74 176.55 2kvt n HIS 67 N -0.90 1.80 -3.89 0.38 -0.00 -1.26 -4.94 115.22 106.41 2kvt n HIS 67 Ca 0.03 0.10 -0.11 0.00 0.46 0.00 0.00 57.72 58.19 2kvt n HIS 67 Cb 0.54 -2.62 -0.13 0.00 -0.12 0.00 0.00 29.99 27.66 2kvt n HIS 67 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2kvt s HIS 68 N 7.41 0.04 -0.37 1.57 -3.43 -1.26 -5.11 115.29 114.13 2kvt s HIS 68 Ca 1.05 -0.07 -0.28 0.00 -0.80 0.00 0.00 55.06 54.96 2kvt s HIS 68 Cb -0.65 -0.03 -0.03 0.00 -1.43 0.00 0.00 32.58 30.44 2kvt s HIS 68 CO 0.44 -0.05 1.92 -1.58 -2.00 0.00 0.00 174.74 173.47 2kvt s HIS 69 N -0.32 1.63 0.12 0.38 5.65 -1.26 -4.99 115.29 116.50 2kvt s HIS 69 Ca -0.04 0.72 -0.10 0.00 0.25 0.00 0.00 55.06 55.89 2kvt s HIS 69 Cb -0.02 -4.05 -0.06 0.00 -1.18 0.00 0.00 32.58 27.27 2kvt s HIS 69 CO -0.00 -2.97 0.46 -1.58 -0.65 0.00 0.00 174.74 170.00 2kvt s HIS 70 N 7.90 3.55 -2.00 3.88 5.04 -1.26 -5.30 115.29 127.10 2kvt s HIS 70 Ca 0.82 0.84 0.05 0.00 -1.54 0.00 0.00 55.06 55.23 2kvt s HIS 70 Cb -0.22 -2.21 0.27 0.00 0.04 0.00 0.00 32.58 30.46 2kvt s HIS 70 CO 0.31 0.45 0.74 1.58 -2.34 0.00 0.00 174.74 175.48