#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 2.76 -0.39 3.17 0.04 -1.26 -4.99 135.00 134.33 2kvt s PRO 2 Ca 0.00 0.24 -0.28 0.00 0.04 0.00 0.00 61.00 61.00 2kvt s PRO 2 Cb 0.00 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 2kvt s PRO 2 CO 0.00 -0.99 1.91 0.95 0.04 0.00 0.00 177.00 178.90 2kvt s THR 3 N -3.26 3.36 -0.37 1.26 -4.23 -1.26 -3.62 115.64 107.52 2kvt s THR 3 Ca 0.57 0.34 -0.09 0.00 -1.18 0.00 0.00 61.69 61.33 2kvt s THR 3 Cb -0.11 -3.58 0.01 0.00 1.34 0.00 0.00 72.50 70.16 2kvt s THR 3 CO 0.49 -0.43 0.32 0.29 -0.54 0.00 0.00 174.62 174.74 2kvt n LYS 4 N 8.66 -2.89 -1.76 3.99 5.02 -1.26 -4.99 118.16 124.92 2kvt n LYS 4 Ca 0.24 2.42 -0.33 0.00 -2.02 0.00 0.00 58.31 58.62 2kvt n LYS 4 Cb 0.48 -5.46 0.05 0.00 -0.02 0.00 0.00 35.03 30.08 2kvt n LYS 4 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2kvt s PRO 5 N -2.14 2.77 1.15 1.97 0.02 -1.24 -5.04 135.00 132.48 2kvt s PRO 5 Ca 0.13 1.46 -0.13 0.00 0.02 0.00 0.00 61.00 62.49 2kvt s PRO 5 Cb -0.04 -1.94 0.27 0.00 0.02 0.00 0.00 34.50 32.82 2kvt s PRO 5 CO 0.77 -1.29 1.04 -2.14 -0.33 0.00 0.00 177.00 175.05 2kvt s PRO 6 N -3.99 -0.79 -0.45 5.54 0.02 -1.26 -5.03 135.00 129.05 2kvt s PRO 6 Ca 0.69 0.78 0.02 0.00 0.02 0.00 0.00 61.00 62.51 2kvt s PRO 6 Cb -0.22 -1.57 0.12 0.00 0.02 0.00 0.00 34.50 32.85 2kvt s PRO 6 CO 0.40 -3.62 0.19 1.52 -0.33 0.00 0.00 177.00 175.16 2kvt s TYR 7 N -2.53 3.49 -1.02 6.54 1.13 -1.26 -5.01 117.35 118.69 2kvt s TYR 7 Ca 0.68 -2.96 -0.12 0.00 -1.41 0.00 0.00 57.07 53.25 2kvt s TYR 7 Cb -0.24 -2.96 -0.08 0.00 -1.10 0.00 0.00 41.96 37.58 2kvt s TYR 7 CO 0.64 -0.86 2.17 -2.30 -2.51 0.00 0.00 175.55 172.68 2kvt n PRO 8 N 3.78 2.18 -3.29 -3.49 -0.02 -1.26 -4.89 135.00 128.01 2kvt n PRO 8 Ca 0.04 -1.81 -0.45 0.00 -2.02 0.00 0.00 63.50 59.26 2kvt n PRO 8 Cb 0.38 -2.74 -0.06 0.00 -0.02 0.00 0.00 33.50 31.05 2kvt n PRO 8 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2kvt s ARG 9 N 3.75 3.01 -0.04 -0.52 0.52 -1.26 -4.65 118.95 119.76 2kvt s ARG 9 Ca 0.50 -1.39 -0.08 0.00 -0.52 0.00 0.00 55.73 54.23 2kvt s ARG 9 Cb 0.13 -4.20 0.01 0.00 0.52 0.00 0.00 34.95 31.41 2kvt s ARG 9 CO 0.01 -1.22 0.18 -1.83 0.02 0.00 0.00 175.30 172.46 2kvt s GLU 10 N 1.90 0.37 0.11 3.54 -1.05 -1.26 -4.83 118.70 117.48 2kvt s GLU 10 Ca 0.06 -0.04 0.06 0.00 -0.15 0.00 0.00 54.97 54.91 2kvt s GLU 10 Cb -0.25 0.17 -0.03 0.00 -0.44 0.00 0.00 34.13 33.57 2kvt s GLU 10 CO 0.06 -0.08 -0.15 0.00 0.95 0.00 0.00 175.26 176.04 2kvt s ALA 11 N -0.62 1.48 0.19 -0.84 0.00 -1.26 -3.06 121.76 117.65 2kvt s ALA 11 Ca -0.07 -1.21 -0.03 0.00 0.00 0.00 0.00 51.96 50.65 2kvt s ALA 11 Cb -0.04 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 2kvt s ALA 11 CO 0.01 0.17 0.18 1.52 0.00 0.00 0.00 175.76 177.64 2kvt s TYR 12 N -1.70 0.93 -0.10 0.00 -0.85 0.22 -4.98 117.35 110.87 2kvt s TYR 12 Ca 0.06 -1.21 -0.01 0.00 -0.52 0.00 0.00 57.07 55.39 2kvt s TYR 12 Cb -0.07 -0.40 -0.03 0.00 0.38 0.00 0.00 41.96 41.84 2kvt s TYR 12 CO 0.03 -0.67 -0.05 0.42 -1.52 0.00 0.00 175.55 173.75 2kvt s ILE 13 N -4.10 3.80 -0.06 -3.49 1.01 -1.26 -0.69 121.20 116.41 2kvt s ILE 13 Ca 0.32 -0.43 0.03 0.00 0.00 0.00 0.00 60.65 60.58 2kvt s ILE 13 Cb 0.06 -2.59 0.01 0.00 0.01 0.00 0.00 42.46 39.94 2kvt s ILE 13 CO 0.09 0.57 -0.15 -0.69 0.00 0.00 0.00 174.94 174.76 2kvt s VAL 14 N -0.46 1.32 -0.21 2.92 1.01 -0.10 -4.96 120.40 119.93 2kvt s VAL 14 Ca 0.07 -0.61 -0.20 0.00 0.00 0.00 0.00 61.98 61.24 2kvt s VAL 14 Cb -0.12 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 2kvt s VAL 14 CO 0.02 0.39 0.60 0.42 0.00 0.00 0.00 175.10 176.53 2kvt s THR 15 N 0.41 5.04 0.44 3.92 -4.23 -1.26 -0.60 115.64 119.36 2kvt s THR 15 Ca -0.11 1.12 0.03 0.00 -1.18 0.00 0.00 61.69 61.55 2kvt s THR 15 Cb -0.14 -3.92 -0.04 0.00 1.34 0.00 0.00 72.50 69.74 2kvt s THR 15 CO 0.04 0.11 0.04 0.27 -0.54 0.00 0.00 174.62 174.54 2kvt s ILE 16 N 1.94 1.25 -0.01 2.99 -4.36 0.03 -4.99 121.20 118.06 2kvt s ILE 16 Ca 0.27 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.68 2kvt s ILE 16 Cb -0.16 -2.48 0.00 0.00 1.25 0.00 0.00 42.46 41.08 2kvt s ILE 16 CO 0.10 0.00 -0.06 -1.83 0.24 0.00 0.00 174.94 173.38 2kvt s GLU 17 N -3.81 0.62 0.45 0.37 -1.05 -1.26 -0.31 118.70 113.71 2kvt s GLU 17 Ca 0.20 -0.22 0.03 0.00 -0.15 0.00 0.00 54.97 54.83 2kvt s GLU 17 Cb 0.05 -0.60 -0.03 0.00 -0.44 0.00 0.00 34.13 33.11 2kvt s GLU 17 CO 0.10 0.10 0.05 0.15 0.95 0.00 0.00 175.26 176.62 2kvt s LYS 18 N 0.06 2.04 0.00 -4.83 1.02 -0.30 -4.92 119.74 112.80 2kvt s LYS 18 Ca -0.00 -2.26 0.00 0.00 0.02 0.00 0.00 55.97 53.73 2kvt s LYS 18 Cb -0.05 -1.17 0.00 0.00 -0.52 0.00 0.00 37.83 36.09 2kvt s LYS 18 CO -0.00 -0.36 0.00 0.41 -0.92 0.00 0.00 175.35 174.48 2kvt n GLY 19 N -1.07 0.81 3.80 -3.33 0.00 -1.26 -0.50 105.19 103.64 2kvt n GLY 19 Ca -0.12 -1.68 -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 3.08 -0.13 1.61 1.02 -1.18 -4.98 119.74 119.17 2kvt s LYS 20 Ca 0.00 -0.50 -0.40 0.00 0.02 0.00 0.00 55.97 55.09 2kvt s LYS 20 Cb 0.00 -2.87 -0.17 0.00 -0.52 0.00 0.00 37.83 34.27 2kvt s LYS 20 CO 0.00 0.64 1.46 -2.30 -0.92 0.00 0.00 175.35 174.22 2kvt n PRO 21 N 1.02 0.78 0.00 -1.68 -0.02 -1.26 -2.09 135.00 131.75 2kvt n PRO 21 Ca -0.12 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 2kvt n PRO 21 Cb 0.52 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 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 3.08 2.03 2.71 -1.23 0.00 -1.26 -4.79 105.19 105.73 2kvt n GLY 22 Ca 0.23 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 3.23 -4.06 1.61 1.13 -0.89 -4.95 117.38 113.44 2kvt n GLN 23 Ca 0.00 -2.85 -0.22 0.00 -1.94 0.00 0.00 57.00 51.99 2kvt n GLN 23 Cb 0.00 -3.11 -0.04 0.00 0.11 0.00 0.00 30.24 27.20 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 2.12 4.73 -0.17 5.09 -4.23 -1.15 -3.09 115.64 118.94 2kvt s THR 24 Ca 0.48 -1.24 -0.04 0.00 -1.18 0.00 0.00 61.69 59.71 2kvt s THR 24 Cb 0.13 -3.55 -0.02 0.00 1.34 0.00 0.00 72.50 70.40 2kvt s THR 24 CO -0.06 -0.33 -0.04 -0.69 -0.54 0.00 0.00 174.62 172.97 2kvt s VAL 25 N -2.06 3.77 -0.34 2.29 1.01 0.34 -4.92 120.40 120.49 2kvt s VAL 25 Ca 0.33 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 61.63 2kvt s VAL 25 Cb -0.08 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.65 2kvt s VAL 25 CO 0.26 0.47 1.10 -0.89 0.00 0.00 0.00 175.10 176.04 2kvt s THR 26 N 0.70 4.45 -0.17 3.92 2.01 -1.26 -1.15 115.64 124.13 2kvt s THR 26 Ca -0.02 1.65 -0.07 0.00 0.31 0.00 0.00 61.69 63.55 2kvt s THR 26 Cb -0.14 -4.42 -0.04 0.00 0.01 0.00 0.00 72.50 67.90 2kvt s THR 26 CO 0.02 -0.54 0.08 0.26 -0.69 0.00 0.00 174.62 173.75 2kvt s TRP 27 N 3.80 3.33 -0.36 4.92 0.52 0.58 -4.75 118.94 126.98 2kvt s TRP 27 Ca 0.47 0.20 -0.16 0.00 0.02 0.00 0.00 56.10 56.63 2kvt s TRP 27 Cb -0.12 -2.05 -0.01 0.00 -1.15 0.00 0.00 33.47 30.15 2kvt s TRP 27 CO 0.18 0.30 0.37 0.71 0.02 0.00 0.00 176.95 178.53 2kvt s TYR 28 N 0.05 3.20 -0.26 -1.98 1.51 0.34 -0.79 117.35 119.43 2kvt s TYR 28 Ca 0.07 -0.09 -0.15 0.00 -1.01 0.00 0.00 57.07 55.89 2kvt s TYR 28 Cb -0.12 -2.71 -0.04 0.00 -0.11 0.00 0.00 41.96 38.99 2kvt s TYR 28 CO 0.00 -0.48 0.39 -0.65 -1.11 0.00 0.00 175.55 173.70 2kvt s GLN 29 N 2.03 4.04 -0.57 -0.62 -0.21 0.23 -1.36 119.66 123.21 2kvt s GLN 29 Ca 0.12 0.08 -0.25 0.00 0.02 0.00 0.00 55.36 55.33 2kvt s GLN 29 Cb -0.17 -3.64 0.04 0.00 1.00 0.00 0.00 33.01 30.25 2kvt s GLN 29 CO 0.12 -0.25 1.00 -1.17 -2.12 0.00 0.00 175.29 172.87 2kvt s LEU 30 N 1.98 3.97 -0.06 2.90 2.96 0.38 -0.93 118.68 129.88 2kvt s LEU 30 Ca 0.16 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.77 2kvt s LEU 30 Cb -0.16 -2.86 -0.03 0.00 0.50 0.00 0.00 46.19 43.65 2kvt s LEU 30 CO 0.09 -1.31 -0.09 -0.13 -1.32 0.00 0.00 176.35 173.60 2kvt s ARG 31 N 4.20 2.68 0.08 1.98 0.52 0.14 -0.19 118.95 128.36 2kvt s ARG 31 Ca 0.32 -0.59 0.05 0.00 -0.52 0.00 0.00 55.73 54.99 2kvt s ARG 31 Cb -0.12 -2.53 -0.04 0.00 0.52 0.00 0.00 34.95 32.78 2kvt s ARG 31 CO 0.20 0.65 -0.03 0.00 0.02 0.00 0.00 175.30 176.14 2kvt s ALA 32 N -0.78 3.19 -0.16 2.13 0.00 0.03 -0.61 121.76 125.55 2kvt s ALA 32 Ca 0.12 -1.13 0.21 0.00 0.00 0.00 0.00 51.96 51.16 2kvt s ALA 32 Cb -0.11 -1.13 0.44 0.00 0.00 0.00 0.00 23.12 22.33 2kvt s ALA 32 CO 0.01 0.68 1.62 0.22 0.00 0.00 0.00 175.76 178.29 2kvt h ASP 33 N 3.62 0.00 -4.33 0.00 3.58 -1.76 -3.24 116.42 114.28 2kvt h ASP 33 Ca -0.48 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 56.49 2kvt h ASP 33 Cb 1.17 0.00 -0.23 0.00 1.72 0.00 0.00 39.33 41.99 2kvt h ASP 33 CO 0.57 0.24 -0.80 -1.00 -2.88 0.00 0.00 179.24 175.37 2kvt s HIS 34 N -3.25 1.45 0.10 0.28 3.76 -1.26 -3.16 115.29 113.21 2kvt s HIS 34 Ca 0.04 -0.41 -0.15 0.00 -0.15 0.00 0.00 55.06 54.39 2kvt s HIS 34 Cb 0.07 -0.83 -0.09 0.00 1.11 0.00 0.00 32.58 32.84 2kvt s HIS 34 CO 0.68 0.10 1.40 -1.00 -0.85 0.00 0.00 174.74 175.07 2kvt h PRO 35 N 4.47 0.72 -5.98 8.40 0.13 -1.96 -3.46 132.00 134.31 2kvt h PRO 35 Ca -0.42 -0.40 -0.65 0.00 -0.87 0.00 0.00 66.00 63.66 2kvt h PRO 35 Cb 1.18 0.03 -0.09 0.00 0.13 0.00 0.00 31.00 32.25 2kvt h PRO 35 CO 0.41 1.02 -0.56 0.15 -0.23 0.00 0.00 178.00 178.79 2kvt s LYS 36 N -4.27 3.12 0.00 0.86 -0.14 -1.26 -4.99 119.74 113.06 2kvt s LYS 36 Ca -0.12 -0.47 0.04 0.00 -1.36 0.00 0.00 55.97 54.06 2kvt s LYS 36 Cb 0.09 -2.89 0.21 0.00 -1.68 0.00 0.00 37.83 33.55 2kvt s LYS 36 CO 0.84 0.65 0.99 -0.35 -0.76 0.00 0.00 175.35 176.72 2kvt n PRO 37 N 1.10 0.05 -0.52 -1.68 -0.04 -1.19 -1.33 135.00 131.39 2kvt n PRO 37 Ca -0.12 0.27 0.09 0.00 -0.04 0.00 0.00 63.50 63.70 2kvt n PRO 37 Cb 0.53 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.80 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 -1.32 4.35 -4.57 3.54 9.92 -1.26 -4.64 116.55 122.58 2kvt n ASP 38 Ca 0.02 -2.48 -0.21 0.00 -0.53 0.00 0.00 54.79 51.59 2kvt n ASP 38 Cb 0.04 -0.52 -0.07 0.00 -0.64 0.00 0.00 41.12 39.93 2kvt n ASP 38 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2kvt s SER 39 N -1.09 4.50 -0.57 -2.24 0.01 -0.44 -4.90 113.70 108.97 2kvt s SER 39 Ca 0.45 -0.64 -0.27 0.00 1.31 0.00 0.00 55.95 56.81 2kvt s SER 39 Cb 0.30 -2.57 -0.00 0.00 0.21 0.00 0.00 66.02 63.96 2kvt s SER 39 CO 0.21 -3.43 1.66 -0.22 0.41 0.00 0.00 173.24 171.86 2kvt s LEU 40 N 12.66 3.35 0.07 2.44 2.96 -1.26 -0.79 118.68 138.10 2kvt s LEU 40 Ca 0.78 0.39 -0.17 0.00 -0.22 0.00 0.00 54.13 54.92 2kvt s LEU 40 Cb -0.08 -2.84 -0.14 0.00 0.50 0.00 0.00 46.19 43.63 2kvt s LEU 40 CO 0.07 -2.02 1.32 0.40 -1.32 0.00 0.00 176.35 174.79 2kvt h ILE 41 N 6.63 1.34 -1.29 6.68 1.08 -0.92 -3.48 117.51 127.55 2kvt h ILE 41 Ca -0.27 -1.63 0.16 0.00 -0.39 0.00 0.00 64.86 62.73 2kvt h ILE 41 Cb 1.13 1.92 -0.26 0.00 -3.07 0.00 0.00 36.82 36.54 2kvt h ILE 41 CO 1.18 0.50 0.76 -0.55 -0.69 0.00 0.00 178.15 179.35 2kvt s SER 42 N -6.58 -0.20 -0.13 1.72 0.15 -1.19 -5.03 113.70 102.45 2kvt s SER 42 Ca -0.13 0.22 -0.03 0.00 0.70 0.00 0.00 55.95 56.72 2kvt s SER 42 Cb 0.07 0.17 -0.03 0.00 -1.71 0.00 0.00 66.02 64.52 2kvt s SER 42 CO 0.82 -0.17 -0.02 -1.61 1.20 0.00 0.00 173.24 173.46 2kvt s GLU 43 N -1.00 3.38 0.02 5.44 2.02 -1.26 -0.47 118.70 126.82 2kvt s GLU 43 Ca 0.04 -0.47 0.02 0.00 0.02 0.00 0.00 54.97 54.57 2kvt s GLU 43 Cb -0.01 -2.86 -0.01 0.00 0.10 0.00 0.00 34.13 31.34 2kvt s GLU 43 CO -0.04 0.44 -0.06 -1.01 0.02 0.00 0.00 175.26 174.61 2kvt s HIS 44 N -0.16 0.53 -0.47 1.61 3.76 -0.46 -5.00 115.29 115.10 2kvt s HIS 44 Ca 0.04 -0.29 0.26 0.00 -0.15 0.00 0.00 55.06 54.91 2kvt s HIS 44 Cb -0.13 -0.33 0.94 0.00 1.11 0.00 0.00 32.58 34.17 2kvt s HIS 44 CO 0.02 -0.05 1.76 -1.00 -0.85 0.00 0.00 174.74 174.62 2kvt h PRO 45 N 5.26 0.00 -6.48 8.40 0.13 -1.85 0.98 132.00 138.43 2kvt h PRO 45 Ca -0.32 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.12 2kvt h PRO 45 Cb 1.20 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.09 2kvt h PRO 45 CO 0.45 0.00 -0.80 0.95 -0.23 0.00 0.00 178.00 178.37 2kvt s THR 46 N -3.30 2.78 0.31 1.56 -4.23 -1.26 -4.70 115.64 106.80 2kvt s THR 46 Ca 0.06 -0.99 0.02 0.00 -1.18 0.00 0.00 61.69 59.59 2kvt s THR 46 Cb 0.10 -2.11 0.15 0.00 1.34 0.00 0.00 72.50 71.98 2kvt s THR 46 CO 0.49 0.47 1.84 0.00 -0.54 0.00 0.00 174.62 176.89 2kvt h ALA 47 N 5.00 1.28 -0.29 3.99 0.00 -1.95 -2.83 119.26 124.46 2kvt h ALA 47 Ca -0.46 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.28 2kvt h ALA 47 Cb 1.15 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 2kvt h ALA 47 CO 0.49 0.49 -0.01 0.37 0.00 0.00 0.00 179.25 180.58 2kvt h GLN 48 N 0.62 0.07 -0.73 0.00 -0.00 -1.98 0.13 115.11 113.23 2kvt h GLN 48 Ca 0.13 -0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.75 2kvt h GLN 48 Cb 0.34 -0.02 -0.03 0.00 0.00 0.00 0.00 27.48 27.78 2kvt h GLN 48 CO 0.01 0.04 0.32 0.93 0.00 0.00 0.00 178.83 180.14 2kvt h GLU 49 N 0.07 1.05 -0.73 1.69 5.08 -1.94 0.03 114.58 119.84 2kvt h GLU 49 Ca 0.14 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2kvt h GLU 49 Cb 0.19 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2kvt h GLU 49 CO -0.24 0.83 0.28 0.00 -1.00 0.00 0.00 179.01 178.88 2kvt h ALA 50 N 1.31 0.94 -0.23 3.43 0.00 -1.10 0.57 119.26 124.20 2kvt h ALA 50 Ca 0.25 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2kvt h ALA 50 Cb 0.14 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2kvt h ALA 50 CO -0.03 0.57 -0.20 0.52 0.00 0.00 0.00 179.25 180.12 2kvt h MET 51 N 1.05 0.54 -0.53 0.00 2.86 -0.41 -0.80 114.93 117.62 2kvt h MET 51 Ca 0.24 -0.27 -0.08 0.00 -2.06 0.00 0.00 59.70 57.53 2kvt h MET 51 Cb 0.22 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 2kvt h MET 51 CO -0.02 0.85 0.04 0.22 1.06 0.00 0.00 176.91 179.06 2kvt h ASP 52 N 0.23 0.89 -0.36 1.22 1.82 -0.89 -1.48 116.42 117.85 2kvt h ASP 52 Ca 0.04 -0.29 -0.07 0.00 -0.39 0.00 0.00 57.03 56.32 2kvt h ASP 52 Cb 0.74 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 40.49 2kvt h ASP 52 CO 0.05 0.96 -0.02 0.00 -1.61 0.00 0.00 179.24 178.62 2kvt h ALA 53 N 0.97 1.13 -0.23 -0.78 0.00 -0.91 -2.33 119.26 117.10 2kvt h ALA 53 Ca 0.16 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2kvt h ALA 53 Cb 0.48 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2kvt h ALA 53 CO 0.02 0.56 0.02 -0.22 0.00 0.00 0.00 179.25 179.63 2kvt h LYS 54 N 0.69 0.10 -0.55 0.00 3.64 -0.70 -0.50 116.57 119.25 2kvt h LYS 54 Ca 0.13 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2kvt h LYS 54 Cb 0.46 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 2kvt h LYS 54 CO 0.02 0.06 0.30 1.57 -2.27 0.00 0.00 179.45 179.14 2kvt h LYS 55 N 0.10 0.76 -0.36 1.90 2.10 -1.09 -1.78 116.57 118.20 2kvt h LYS 55 Ca 0.11 -0.09 -0.07 0.00 -2.00 0.00 0.00 60.65 58.60 2kvt h LYS 55 Cb 0.12 -0.15 -0.02 0.00 -0.90 0.00 0.00 32.23 31.28 2kvt h LYS 55 CO -0.16 0.59 -0.06 -0.09 -2.00 0.00 0.00 179.45 177.73 2kvt h ARG 56 N 0.74 0.60 -0.18 0.07 2.43 -1.18 0.10 114.38 116.96 2kvt h ARG 56 Ca 0.19 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2kvt h ARG 56 Cb 0.05 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 2kvt h ARG 56 CO -0.03 0.67 0.05 -0.92 -1.51 0.00 0.00 179.97 178.23 2kvt h TYR 57 N 0.56 0.30 0.00 2.20 3.20 -0.82 -3.06 116.97 119.35 2kvt h TYR 57 Ca 0.11 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 2kvt h TYR 57 Cb 0.45 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 2kvt h TYR 57 CO 0.02 0.39 -0.09 0.93 -1.64 0.00 0.00 178.16 177.77 2kvt h GLU 58 N 0.11 0.00 -7.08 1.82 5.08 -0.91 -3.38 114.58 110.23 2kvt h GLU 58 Ca 0.06 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.89 2kvt h GLU 58 Cb 0.24 0.00 0.11 0.00 0.50 0.00 0.00 28.75 29.60 2kvt h GLU 58 CO -0.00 0.09 0.50 -0.51 -1.00 0.00 0.00 179.01 178.09 2kvt s ASP 59 N -5.95 5.30 0.29 1.42 1.01 0.32 -4.89 116.67 114.17 2kvt s ASP 59 Ca 0.02 2.45 0.14 0.00 0.71 0.00 0.00 52.55 55.87 2kvt s ASP 59 Cb 0.09 -2.61 0.77 0.00 1.01 0.00 0.00 42.92 42.18 2kvt s ASP 59 CO 0.60 -1.52 1.36 -2.65 0.21 0.00 0.00 175.17 173.16 2kvt n PRO 60 N -1.36 0.09 0.15 8.23 -0.02 -1.26 -2.13 135.00 138.70 2kvt n PRO 60 Ca 0.12 0.57 0.15 0.00 -2.02 0.00 0.00 63.50 62.32 2kvt n PRO 60 Cb 0.49 -2.01 0.72 0.00 -0.02 0.00 0.00 33.50 32.68 2kvt n PRO 60 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2kvt h ASP 61 N 0.00 0.00 -3.69 2.55 3.58 -1.87 -3.37 116.42 113.62 2kvt h ASP 61 Ca 0.00 0.00 -0.66 0.00 0.42 0.00 0.00 57.03 56.79 2kvt h ASP 61 Cb 0.40 0.00 -0.39 0.00 1.72 0.00 0.00 39.33 41.05 2kvt h ASP 61 CO 0.00 0.00 -0.71 -0.54 -2.88 0.00 0.00 179.24 175.11 2kvt s LYS 62 N -4.92 1.61 -0.26 0.28 -0.14 -0.91 -5.04 119.74 110.37 2kvt s LYS 62 Ca -0.05 -1.81 0.02 0.00 -1.36 0.00 0.00 55.97 52.77 2kvt s LYS 62 Cb 0.17 -3.21 0.07 0.00 -1.68 0.00 0.00 37.83 33.18 2kvt s LYS 62 CO 0.65 -0.91 -0.07 -1.83 -0.76 0.00 0.00 175.35 172.44 2kvt s GLU 63 N 0.95 1.89 -0.39 1.68 -1.05 -1.26 -4.83 118.70 115.69 2kvt s GLU 63 Ca 0.09 -1.26 0.05 0.00 -0.15 0.00 0.00 54.97 53.69 2kvt s GLU 63 Cb -0.19 -2.79 0.45 0.00 -0.44 0.00 0.00 34.13 31.16 2kvt s GLU 63 CO -0.07 -0.63 1.39 1.28 0.95 0.00 0.00 175.26 178.17 2kvt n LEU 64 N 4.51 5.57 -4.57 1.83 4.77 -1.26 -4.95 117.00 122.90 2kvt n LEU 64 Ca -0.11 -4.68 -0.32 0.00 -0.03 0.00 0.00 56.01 50.87 2kvt n LEU 64 Cb 0.43 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 40.97 2kvt n LEU 64 CO 0.20 1.97 1.52 -1.61 -1.33 0.00 0.00 177.39 178.14 2kvt s GLU 65 N -3.66 2.91 -1.04 3.23 2.02 -1.26 -4.88 118.70 116.02 2kvt s GLU 65 Ca 0.54 -0.99 -0.23 0.00 0.02 0.00 0.00 54.97 54.31 2kvt s GLU 65 Cb 0.43 -5.24 -0.06 0.00 0.10 0.00 0.00 34.13 29.36 2kvt s GLU 65 CO 0.01 -3.25 1.92 -1.58 0.02 0.00 0.00 175.26 172.38 2kvt s HIS 66 N 8.76 1.93 -0.66 1.61 5.65 -1.26 -4.89 115.29 126.43 2kvt s HIS 66 Ca 0.63 0.44 -0.26 0.00 0.25 0.00 0.00 55.06 56.12 2kvt s HIS 66 Cb -0.02 -4.07 -0.11 0.00 -1.18 0.00 0.00 32.58 27.20 2kvt s HIS 66 CO 0.04 -1.52 2.42 1.58 -0.65 0.00 0.00 174.74 176.61 2kvt n HIS 67 N 13.80 1.28 -2.91 3.88 -0.00 -1.26 -4.72 115.22 125.29 2kvt n HIS 67 Ca 0.42 0.04 0.02 0.00 0.46 0.00 0.00 57.72 58.67 2kvt n HIS 67 Cb 0.47 -2.63 0.00 0.00 -0.12 0.00 0.00 29.99 27.71 2kvt n HIS 67 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kvt s HIS 68 N 13.69 -0.67 -0.98 1.57 5.65 -1.26 -5.10 115.29 128.18 2kvt s HIS 68 Ca 0.95 0.14 -0.24 0.00 0.25 0.00 0.00 55.06 56.17 2kvt s HIS 68 Cb -0.15 0.12 -0.09 0.00 -1.18 0.00 0.00 32.58 31.28 2kvt s HIS 68 CO 0.16 -0.45 2.04 -1.58 -0.65 0.00 0.00 174.74 174.27 2kvt s HIS 69 N 2.08 1.67 -0.37 3.88 2.46 -1.26 -4.92 115.29 118.84 2kvt s HIS 69 Ca 0.16 1.00 -0.29 0.00 0.47 0.00 0.00 55.06 56.40 2kvt s HIS 69 Cb 0.01 -3.85 0.01 0.00 -0.13 0.00 0.00 32.58 28.62 2kvt s HIS 69 CO -0.15 -1.45 1.24 -1.58 -2.47 0.00 0.00 174.74 170.33 2kvt s HIS 70 N 11.89 2.75 -2.14 3.88 5.04 -1.26 -5.32 115.29 130.13 2kvt s HIS 70 Ca 0.75 0.86 0.31 0.00 -1.54 0.00 0.00 55.06 55.43 2kvt s HIS 70 Cb -0.06 -4.07 1.67 0.00 0.04 0.00 0.00 32.58 30.15 2kvt s HIS 70 CO 0.07 -1.47 2.09 -2.39 -2.34 0.00 0.00 174.74 170.70