#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 3.04 -0.16 0.03 0.04 -1.26 -4.84 135.00 131.85 2kvt s PRO 2 Ca 0.00 1.81 -0.14 0.00 0.04 0.00 0.00 61.00 62.71 2kvt s PRO 2 Cb 0.00 -4.36 -0.06 0.00 0.04 0.00 0.00 34.50 30.11 2kvt s PRO 2 CO 0.00 -2.21 -0.29 0.25 0.04 0.00 0.00 177.00 174.79 2kvt n THR 3 N 7.71 1.40 -3.43 1.26 -2.24 -1.26 -4.89 114.28 112.84 2kvt n THR 3 Ca 0.29 0.05 -0.44 0.00 -2.27 0.00 0.00 64.05 61.68 2kvt n THR 3 Cb 0.47 -2.10 -0.07 0.00 -2.10 0.00 0.00 70.33 66.52 2kvt n THR 3 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2kvt s LYS 4 N -2.66 2.81 0.43 -0.78 3.01 -1.26 -5.09 119.74 116.20 2kvt s LYS 4 Ca -0.26 -1.59 0.00 0.00 -1.01 0.00 0.00 55.97 53.11 2kvt s LYS 4 Cb 0.06 -4.09 -0.01 0.00 -1.01 0.00 0.00 37.83 32.77 2kvt s LYS 4 CO 0.37 -1.16 0.65 -1.25 0.51 0.00 0.00 175.35 174.46 2kvt s PRO 5 N 1.53 3.16 0.15 -1.68 0.04 -1.26 -5.07 135.00 131.86 2kvt s PRO 5 Ca 0.04 -0.45 -0.31 0.00 0.04 0.00 0.00 61.00 60.32 2kvt s PRO 5 Cb -0.27 -2.58 -0.09 0.00 0.04 0.00 0.00 34.50 31.61 2kvt s PRO 5 CO 0.03 -0.18 1.45 -2.14 0.04 0.00 0.00 177.00 176.20 2kvt s PRO 6 N -4.51 4.28 0.48 0.56 0.02 -1.26 -4.98 135.00 129.60 2kvt s PRO 6 Ca 0.47 2.20 -0.23 0.00 0.02 0.00 0.00 61.00 63.45 2kvt s PRO 6 Cb -0.10 -3.20 -0.08 0.00 0.02 0.00 0.00 34.50 31.15 2kvt s PRO 6 CO 0.38 -0.48 1.25 0.66 -0.33 0.00 0.00 177.00 178.48 2kvt n TYR 7 N 3.72 1.99 -0.42 6.54 4.01 -1.26 -4.97 117.16 126.77 2kvt n TYR 7 Ca 0.12 0.47 -0.29 0.00 -0.16 0.00 0.00 57.90 58.04 2kvt n TYR 7 Cb 0.41 -2.34 0.27 0.00 -0.31 0.00 0.00 39.34 37.37 2kvt n TYR 7 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2kvt n PRO 8 N -0.42 -3.03 0.00 -0.72 -0.04 -1.26 -5.00 135.00 124.53 2kvt n PRO 8 Ca 0.09 -0.87 0.00 0.00 -0.04 0.00 0.00 63.50 62.68 2kvt n PRO 8 Cb 0.42 -2.09 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 2kvt n PRO 8 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2kvt n ARG 9 N -5.06 1.75 -3.62 0.54 1.85 -1.26 -5.06 116.66 105.80 2kvt n ARG 9 Ca 0.04 -1.16 -0.36 0.00 -1.00 0.00 0.00 57.85 55.37 2kvt n ARG 9 Cb 0.55 -0.96 -0.06 0.00 -1.05 0.00 0.00 32.46 30.94 2kvt n ARG 9 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 2kvt s GLU 10 N -0.67 3.73 0.17 2.89 2.56 -1.26 -3.80 118.70 122.32 2kvt s GLU 10 Ca 0.00 0.16 0.04 0.00 0.00 0.00 0.00 54.97 55.17 2kvt s GLU 10 Cb 0.00 -3.10 -0.01 0.00 2.00 0.00 0.00 34.13 33.02 2kvt s GLU 10 CO 0.00 0.64 0.13 0.00 -0.56 0.00 0.00 175.26 175.47 2kvt n ALA 11 N 1.31 0.35 -3.32 6.30 0.00 -1.26 -4.36 120.51 119.53 2kvt n ALA 11 Ca -0.12 -0.97 -0.14 0.00 0.00 0.00 0.00 53.44 52.22 2kvt n ALA 11 Cb 0.53 0.77 -0.09 0.00 0.00 0.00 0.00 19.45 20.66 2kvt n ALA 11 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2kvt s TYR 12 N -2.64 -0.38 -0.18 0.00 1.13 -0.00 -4.98 117.35 110.29 2kvt s TYR 12 Ca 0.19 0.79 -0.09 0.00 -1.41 0.00 0.00 57.07 56.56 2kvt s TYR 12 Cb 0.01 0.17 -0.05 0.00 -1.10 0.00 0.00 41.96 41.00 2kvt s TYR 12 CO 0.13 -0.36 0.10 0.42 -2.51 0.00 0.00 175.55 173.34 2kvt s ILE 13 N -0.64 5.16 -0.19 -3.49 1.01 -1.26 -0.76 121.20 121.03 2kvt s ILE 13 Ca -0.07 0.10 -0.06 0.00 0.00 0.00 0.00 60.65 60.61 2kvt s ILE 13 Cb -0.04 -3.33 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 2kvt s ILE 13 CO 0.04 0.47 0.04 -0.69 0.00 0.00 0.00 174.94 174.79 2kvt s VAL 14 N 0.21 4.41 -0.39 2.92 1.01 0.22 -4.92 120.40 123.87 2kvt s VAL 14 Ca 0.07 -0.16 -0.20 0.00 0.00 0.00 0.00 61.98 61.68 2kvt s VAL 14 Cb -0.12 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.28 2kvt s VAL 14 CO -0.01 0.44 0.64 0.42 0.00 0.00 0.00 175.10 176.59 2kvt s THR 15 N 0.70 4.86 0.42 3.92 -4.23 -1.26 -0.72 115.64 119.33 2kvt s THR 15 Ca 0.02 0.38 0.07 0.00 -1.18 0.00 0.00 61.69 60.98 2kvt s THR 15 Cb -0.14 -4.13 -0.06 0.00 1.34 0.00 0.00 72.50 69.52 2kvt s THR 15 CO 0.02 -0.44 0.13 0.27 -0.54 0.00 0.00 174.62 174.06 2kvt s ILE 16 N 2.76 2.16 -0.06 2.99 -4.36 0.11 -4.98 121.20 119.82 2kvt s ILE 16 Ca 0.24 -1.79 0.01 0.00 -0.26 0.00 0.00 60.65 58.84 2kvt s ILE 16 Cb -0.14 -2.95 0.02 0.00 1.25 0.00 0.00 42.46 40.64 2kvt s ILE 16 CO 0.17 0.00 -0.05 -1.83 0.24 0.00 0.00 174.94 173.47 2kvt s GLU 17 N -3.86 1.00 0.52 0.37 -1.05 -1.26 -0.36 118.70 114.07 2kvt s GLU 17 Ca 0.38 -0.13 0.04 0.00 -0.15 0.00 0.00 54.97 55.11 2kvt s GLU 17 Cb 0.05 -1.04 0.01 0.00 -0.44 0.00 0.00 34.13 32.71 2kvt s GLU 17 CO 0.20 -0.13 0.21 0.15 0.95 0.00 0.00 175.26 176.64 2kvt s LYS 18 N 1.20 2.23 0.00 -4.83 1.02 -0.41 -4.88 119.74 114.07 2kvt s LYS 18 Ca -0.06 -2.19 0.00 0.00 0.02 0.00 0.00 55.97 53.74 2kvt s LYS 18 Cb -0.14 -1.84 0.00 0.00 -0.52 0.00 0.00 37.83 35.34 2kvt s LYS 18 CO -0.02 -0.48 0.00 0.41 -0.92 0.00 0.00 175.35 174.34 2kvt n GLY 19 N -1.52 1.06 3.45 -3.33 0.00 -1.26 -0.84 105.19 102.74 2kvt n GLY 19 Ca -0.10 -1.56 -0.27 0.00 0.00 0.00 0.00 46.02 44.10 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 1.60 0.01 1.61 -0.14 -1.02 -5.00 119.74 116.80 2kvt s LYS 20 Ca 0.00 -1.49 -0.37 0.00 -1.36 0.00 0.00 55.97 52.75 2kvt s LYS 20 Cb 0.00 -1.89 -0.16 0.00 -1.68 0.00 0.00 37.83 34.10 2kvt s LYS 20 CO 0.00 0.40 1.47 -2.30 -0.76 0.00 0.00 175.35 174.17 2kvt n PRO 21 N 0.23 1.28 0.00 -1.68 -0.02 -1.26 -1.51 135.00 132.04 2kvt n PRO 21 Ca -0.12 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 2kvt n PRO 21 Cb 0.56 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 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 3.04 2.22 3.15 -1.23 0.00 -1.26 -4.85 105.19 106.25 2kvt n GLY 22 Ca 0.20 -0.38 -0.44 0.00 0.00 0.00 0.00 46.02 45.40 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 4.07 -4.04 1.61 1.13 -0.57 -5.03 117.38 114.55 2kvt n GLN 23 Ca 0.00 -4.49 -0.33 0.00 -1.94 0.00 0.00 57.00 50.24 2kvt n GLN 23 Cb 0.00 -2.54 -0.06 0.00 0.11 0.00 0.00 30.24 27.75 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 -2.07 4.94 -0.20 5.09 -4.23 -1.20 -2.43 115.64 115.54 2kvt s THR 24 Ca 0.31 -0.34 -0.05 0.00 -1.18 0.00 0.00 61.69 60.44 2kvt s THR 24 Cb -0.01 -3.27 -0.02 0.00 1.34 0.00 0.00 72.50 70.53 2kvt s THR 24 CO 0.03 0.34 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.75 2kvt s VAL 25 N -1.23 3.89 -0.28 2.29 1.01 -0.02 -4.90 120.40 121.15 2kvt s VAL 25 Ca 0.24 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.59 2kvt s VAL 25 Cb -0.12 -2.75 -0.00 0.00 0.00 0.00 0.00 36.38 33.51 2kvt s VAL 25 CO 0.15 0.44 1.32 -0.89 0.00 0.00 0.00 175.10 176.12 2kvt s THR 26 N 0.97 4.12 -0.14 3.92 2.01 -1.26 -1.28 115.64 123.98 2kvt s THR 26 Ca 0.01 1.28 -0.03 0.00 0.31 0.00 0.00 61.69 63.26 2kvt s THR 26 Cb -0.14 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.23 2kvt s THR 26 CO 0.02 -0.42 -0.03 0.26 -0.69 0.00 0.00 174.62 173.75 2kvt s TRP 27 N 4.34 3.05 -0.34 4.92 0.52 0.52 -4.57 118.94 127.37 2kvt s TRP 27 Ca 0.57 -0.15 -0.14 0.00 0.02 0.00 0.00 56.10 56.40 2kvt s TRP 27 Cb -0.18 -1.91 -0.01 0.00 -1.15 0.00 0.00 33.47 30.22 2kvt s TRP 27 CO 0.23 0.11 0.27 0.71 0.02 0.00 0.00 176.95 178.29 2kvt s TYR 28 N 0.01 3.22 -0.35 -1.98 1.51 0.10 -0.71 117.35 119.16 2kvt s TYR 28 Ca 0.01 -0.19 -0.14 0.00 -1.01 0.00 0.00 57.07 55.74 2kvt s TYR 28 Cb -0.13 -2.53 -0.01 0.00 -0.11 0.00 0.00 41.96 39.17 2kvt s TYR 28 CO 0.02 -0.39 0.31 -0.65 -1.11 0.00 0.00 175.55 173.74 2kvt s GLN 29 N 1.80 3.47 -0.44 -0.62 -0.21 0.10 -1.23 119.66 122.53 2kvt s GLN 29 Ca 0.07 -0.57 -0.29 0.00 0.02 0.00 0.00 55.36 54.60 2kvt s GLN 29 Cb -0.17 -3.83 0.02 0.00 1.00 0.00 0.00 33.01 30.03 2kvt s GLN 29 CO 0.11 -0.53 1.17 -1.17 -2.12 0.00 0.00 175.29 172.75 2kvt s LEU 30 N 1.89 3.69 0.40 2.90 2.96 -0.08 -0.61 118.68 129.83 2kvt s LEU 30 Ca 0.09 0.63 0.07 0.00 -0.22 0.00 0.00 54.13 54.71 2kvt s LEU 30 Cb -0.17 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 42.90 2kvt s LEU 30 CO 0.11 -1.21 0.03 -0.13 -1.32 0.00 0.00 176.35 173.83 2kvt s ARG 31 N 4.38 2.00 0.00 1.98 0.52 0.06 -0.51 118.95 127.38 2kvt s ARG 31 Ca 0.50 -2.03 -0.01 0.00 -0.52 0.00 0.00 55.73 53.67 2kvt s ARG 31 Cb -0.09 -1.72 -0.01 0.00 0.52 0.00 0.00 34.95 33.66 2kvt s ARG 31 CO 0.29 -0.03 0.01 0.00 0.02 0.00 0.00 175.30 175.59 2kvt s ALA 32 N -2.67 -0.01 0.19 2.13 0.00 -1.25 -0.82 121.76 119.32 2kvt s ALA 32 Ca 0.36 -0.16 0.35 0.00 0.00 0.00 0.00 51.96 52.50 2kvt s ALA 32 Cb 0.08 0.03 1.51 0.00 0.00 0.00 0.00 23.12 24.74 2kvt s ALA 32 CO 0.19 -0.07 2.04 -0.44 0.00 0.00 0.00 175.76 177.47 2kvt h ASP 33 N 5.52 0.00 -3.78 0.00 5.19 -1.82 -3.27 116.42 118.25 2kvt h ASP 33 Ca -0.27 0.00 -0.69 0.00 -0.62 0.00 0.00 57.03 55.45 2kvt h ASP 33 Cb 1.21 0.00 -0.31 0.00 0.18 0.00 0.00 39.33 40.40 2kvt h ASP 33 CO 0.46 0.01 -0.87 -1.00 -3.12 0.00 0.00 179.24 174.72 2kvt s HIS 34 N -3.74 2.50 -0.21 4.55 3.76 -1.26 -3.45 115.29 117.44 2kvt s HIS 34 Ca 0.00 -0.80 0.16 0.00 -0.15 0.00 0.00 55.06 54.28 2kvt s HIS 34 Cb 0.10 -1.65 0.11 0.00 1.11 0.00 0.00 32.58 32.25 2kvt s HIS 34 CO 0.53 -0.26 1.46 -1.00 -0.85 0.00 0.00 174.74 174.62 2kvt h PRO 35 N 6.26 0.00 -4.26 8.40 0.13 -2.01 -3.48 132.00 137.04 2kvt h PRO 35 Ca -0.28 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.39 2kvt h PRO 35 Cb 1.20 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.99 2kvt h PRO 35 CO 0.48 0.41 -0.79 0.15 -0.23 0.00 0.00 178.00 178.01 2kvt s LYS 36 N -3.00 1.24 0.00 0.86 -0.14 -1.23 -5.02 119.74 112.45 2kvt s LYS 36 Ca 0.04 -0.25 0.03 0.00 -1.36 0.00 0.00 55.97 54.43 2kvt s LYS 36 Cb 0.07 -1.12 0.17 0.00 -1.68 0.00 0.00 37.83 35.27 2kvt s LYS 36 CO 0.73 -0.04 0.56 -0.35 -0.76 0.00 0.00 175.35 175.50 2kvt n PRO 37 N 3.97 0.39 0.00 -1.68 -0.04 -1.22 -1.34 135.00 135.07 2kvt n PRO 37 Ca -0.24 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.33 2kvt n PRO 37 Cb 0.51 -1.11 0.02 0.00 -0.04 0.00 0.00 33.50 32.88 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 -0.61 2.15 -4.77 3.54 8.00 -1.26 -4.83 116.55 118.77 2kvt n ASP 38 Ca 0.02 -1.58 -0.39 0.00 0.71 0.00 0.00 54.79 53.56 2kvt n ASP 38 Cb 0.01 0.38 -0.05 0.00 -0.02 0.00 0.00 41.12 41.43 2kvt n ASP 38 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2kvt s SER 39 N -2.26 7.27 -0.17 -2.24 0.15 -0.45 -5.05 113.70 110.95 2kvt s SER 39 Ca 0.19 2.05 -0.01 0.00 0.70 0.00 0.00 55.95 58.89 2kvt s SER 39 Cb 0.17 -2.60 -0.00 0.00 -1.71 0.00 0.00 66.02 61.88 2kvt s SER 39 CO 0.48 -0.13 -0.13 -0.22 1.20 0.00 0.00 173.24 174.45 2kvt s LEU 40 N -1.75 2.54 -0.17 3.45 2.96 -1.26 -3.81 118.68 120.63 2kvt s LEU 40 Ca 0.48 -0.47 -0.17 0.00 -0.22 0.00 0.00 54.13 53.75 2kvt s LEU 40 Cb -0.26 -1.59 -0.13 0.00 0.50 0.00 0.00 46.19 44.71 2kvt s LEU 40 CO 0.32 0.05 0.14 0.40 -1.32 0.00 0.00 176.35 175.94 2kvt h ILE 41 N 5.70 0.65 -2.17 6.68 1.08 -1.17 -3.50 117.51 124.79 2kvt h ILE 41 Ca -0.36 -1.73 0.01 0.00 -0.39 0.00 0.00 64.86 62.39 2kvt h ILE 41 Cb 1.18 1.48 -0.18 0.00 -3.07 0.00 0.00 36.82 36.22 2kvt h ILE 41 CO 0.59 0.22 0.34 -0.55 -0.69 0.00 0.00 178.15 178.06 2kvt s SER 42 N -6.33 -0.52 -0.11 1.72 0.15 -1.21 -5.01 113.70 102.40 2kvt s SER 42 Ca -0.21 0.35 0.01 0.00 0.70 0.00 0.00 55.95 56.80 2kvt s SER 42 Cb 0.03 0.47 -0.02 0.00 -1.71 0.00 0.00 66.02 64.79 2kvt s SER 42 CO 0.44 -0.63 -0.13 -1.61 1.20 0.00 0.00 173.24 172.51 2kvt s GLU 43 N -2.11 3.17 -0.02 5.44 2.02 -1.26 -0.90 118.70 125.05 2kvt s GLU 43 Ca -0.03 -0.68 -0.01 0.00 0.02 0.00 0.00 54.97 54.26 2kvt s GLU 43 Cb -0.01 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.65 2kvt s GLU 43 CO -0.01 0.32 0.04 -1.01 0.02 0.00 0.00 175.26 174.63 2kvt s HIS 44 N 0.07 -0.05 -0.45 1.61 3.76 -0.37 -4.97 115.29 114.90 2kvt s HIS 44 Ca -0.05 0.12 0.26 0.00 -0.15 0.00 0.00 55.06 55.23 2kvt s HIS 44 Cb -0.15 0.01 0.97 0.00 1.11 0.00 0.00 32.58 34.53 2kvt s HIS 44 CO 0.04 -0.02 1.76 -1.00 -0.85 0.00 0.00 174.74 174.67 2kvt h PRO 45 N 6.12 0.00 -6.71 8.40 0.13 -1.87 0.29 132.00 138.35 2kvt h PRO 45 Ca -0.25 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.20 2kvt h PRO 45 Cb 1.20 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.13 2kvt h PRO 45 CO 0.48 0.00 -0.81 0.95 -0.23 0.00 0.00 178.00 178.39 2kvt s THR 46 N -3.32 2.74 0.38 1.56 -4.23 -1.26 -4.72 115.64 106.80 2kvt s THR 46 Ca 0.05 -1.46 0.11 0.00 -1.18 0.00 0.00 61.69 59.21 2kvt s THR 46 Cb 0.10 -2.22 0.13 0.00 1.34 0.00 0.00 72.50 71.84 2kvt s THR 46 CO 0.47 0.16 1.87 0.00 -0.54 0.00 0.00 174.62 176.58 2kvt h ALA 47 N 3.95 1.45 0.23 3.99 0.00 -1.95 -3.03 119.26 123.91 2kvt h ALA 47 Ca -0.49 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.14 2kvt h ALA 47 Cb 1.16 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2kvt h ALA 47 CO 0.45 0.40 -0.11 0.37 0.00 0.00 0.00 179.25 180.36 2kvt h GLN 48 N 0.12 -0.30 -0.54 0.00 -0.00 -1.97 -1.07 115.11 111.36 2kvt h GLN 48 Ca 0.02 0.02 0.06 0.00 -0.00 0.00 0.00 58.65 58.75 2kvt h GLN 48 Cb 0.51 0.07 -0.05 0.00 0.00 0.00 0.00 27.48 28.00 2kvt h GLN 48 CO 0.04 -0.17 0.24 0.93 0.00 0.00 0.00 178.83 179.86 2kvt h GLU 49 N -0.34 0.44 -0.09 1.69 5.08 -1.94 0.50 114.58 119.93 2kvt h GLU 49 Ca -0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2kvt h GLU 49 Cb 0.26 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2kvt h GLU 49 CO 0.05 0.29 0.05 0.00 -1.00 0.00 0.00 179.01 178.40 2kvt h ALA 50 N 1.32 0.10 -0.28 3.43 0.00 -1.41 -1.26 119.26 121.17 2kvt h ALA 50 Ca 0.25 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 2kvt h ALA 50 Cb 0.22 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2kvt h ALA 50 CO -0.21 -0.41 -0.05 0.52 0.00 0.00 0.00 179.25 179.10 2kvt h MET 51 N 0.10 0.45 -0.33 0.00 2.86 -0.88 -1.95 114.93 115.18 2kvt h MET 51 Ca 0.03 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2kvt h MET 51 Cb -0.00 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 2kvt h MET 51 CO -0.02 0.51 0.17 0.22 1.06 0.00 0.00 176.91 178.86 2kvt h ASP 52 N 0.43 0.42 0.20 1.22 3.58 0.67 -0.73 116.42 122.21 2kvt h ASP 52 Ca 0.09 -0.11 -0.12 0.00 0.42 0.00 0.00 57.03 57.31 2kvt h ASP 52 Cb 0.36 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 2kvt h ASP 52 CO 0.02 0.41 -0.47 0.00 -2.88 0.00 0.00 179.24 176.31 2kvt h ALA 53 N 1.03 0.97 -0.66 -0.78 0.00 -1.20 -3.11 119.26 115.50 2kvt h ALA 53 Ca 0.11 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2kvt h ALA 53 Cb 0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2kvt h ALA 53 CO -0.02 0.64 0.35 -0.22 0.00 0.00 0.00 179.25 180.00 2kvt h LYS 54 N 0.26 0.92 -0.07 0.00 3.64 -0.68 -2.04 116.57 118.60 2kvt h LYS 54 Ca 0.02 -0.10 0.04 0.00 -1.27 0.00 0.00 60.65 59.33 2kvt h LYS 54 Cb 0.92 -0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 32.50 2kvt h LYS 54 CO 0.08 0.69 -0.33 0.87 -2.27 0.00 0.00 179.45 178.48 2kvt h LYS 55 N 0.92 -0.42 0.00 1.90 1.57 -1.08 -0.34 116.57 119.12 2kvt h LYS 55 Ca 0.23 0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.99 2kvt h LYS 55 Cb 0.05 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2kvt h LYS 55 CO -0.04 -0.28 -0.24 0.00 -0.57 0.00 0.00 179.45 178.32 2kvt h ARG 56 N -0.44 0.00 -0.15 3.15 3.08 -1.62 0.34 114.38 118.74 2kvt h ARG 56 Ca 0.08 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 2kvt h ARG 56 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 2kvt h ARG 56 CO -0.32 0.24 -0.23 -0.92 -1.07 0.00 0.00 179.97 177.66 2kvt h TYR 57 N 0.00 0.29 0.06 3.04 3.20 -0.59 -3.08 116.97 119.89 2kvt h TYR 57 Ca -0.00 -0.05 -0.14 0.00 3.14 0.00 0.00 58.73 61.68 2kvt h TYR 57 Cb 0.53 -0.08 0.01 0.00 1.54 0.00 0.00 36.73 38.74 2kvt h TYR 57 CO 0.00 0.49 -0.59 0.93 -1.64 0.00 0.00 178.16 177.35 2kvt h GLU 58 N 0.24 0.29 -7.30 1.82 5.08 -0.05 -3.45 114.58 111.21 2kvt h GLU 58 Ca 0.04 -0.39 -0.46 0.00 -1.00 0.00 0.00 59.36 57.54 2kvt h GLU 58 Cb 0.55 0.13 0.17 0.00 0.50 0.00 0.00 28.75 30.10 2kvt h GLU 58 CO 0.04 1.13 0.17 -0.51 -1.00 0.00 0.00 179.01 178.84 2kvt s ASP 59 N -6.73 2.54 0.00 1.42 1.01 0.01 -4.81 116.67 110.11 2kvt s ASP 59 Ca -0.14 1.40 0.18 0.00 0.71 0.00 0.00 52.55 54.70 2kvt s ASP 59 Cb 0.01 -2.08 0.88 0.00 1.01 0.00 0.00 42.92 42.74 2kvt s ASP 59 CO 0.80 -3.21 1.57 -0.81 0.21 0.00 0.00 175.17 173.73 2kvt n PRO 60 N -4.25 0.18 0.00 8.23 -0.04 -1.26 -3.68 135.00 134.18 2kvt n PRO 60 Ca 0.06 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 2kvt n PRO 60 Cb 0.56 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 2kvt n PRO 60 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kvt n ASP 61 N -1.36 2.51 -4.72 3.54 9.92 -1.26 -4.88 116.55 120.31 2kvt n ASP 61 Ca 0.07 -1.68 -0.42 0.00 -0.53 0.00 0.00 54.79 52.24 2kvt n ASP 61 Cb 0.17 -0.42 -0.03 0.00 -0.64 0.00 0.00 41.12 40.19 2kvt n ASP 61 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2kvt s LYS 62 N 0.16 4.53 -0.00 -1.24 2.20 -1.17 -4.82 119.74 119.39 2kvt s LYS 62 Ca 0.00 1.61 0.17 0.00 -0.36 0.00 0.00 55.97 57.39 2kvt s LYS 62 Cb 0.00 -3.37 -0.19 0.00 -1.51 0.00 0.00 37.83 32.75 2kvt s LYS 62 CO 0.00 -0.08 0.67 0.39 -0.36 0.00 0.00 175.35 175.97 2kvt n GLU 63 N 3.51 1.32 -1.67 4.03 -0.58 -1.26 -4.98 120.64 121.00 2kvt n GLU 63 Ca 0.06 -0.02 -0.46 0.00 -0.42 0.00 0.00 57.16 56.31 2kvt n GLU 63 Cb 0.48 -1.31 -0.04 0.00 -0.57 0.00 0.00 31.44 30.00 2kvt n GLU 63 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2kvt n LEU 64 N -1.50 3.25 -4.71 -4.62 4.77 -1.26 -4.97 117.00 107.95 2kvt n LEU 64 Ca 0.02 1.05 -0.30 0.00 -0.03 0.00 0.00 56.01 56.75 2kvt n LEU 64 Cb 0.29 -1.42 0.14 0.00 -2.33 0.00 0.00 43.42 40.10 2kvt n LEU 64 CO 0.34 -0.20 0.67 -1.83 -1.33 0.00 0.00 177.39 175.04 2kvt s GLU 65 N 1.95 1.30 -0.53 3.23 -1.05 -1.26 -4.94 118.70 117.39 2kvt s GLU 65 Ca 0.83 0.92 -0.28 0.00 -0.15 0.00 0.00 54.97 56.30 2kvt s GLU 65 Cb -0.67 -1.81 0.01 0.00 -0.44 0.00 0.00 34.13 31.22 2kvt s GLU 65 CO 0.42 -2.24 1.51 -1.01 0.95 0.00 0.00 175.26 174.89 2kvt s HIS 66 N -2.89 2.17 0.23 4.83 3.76 -1.26 -4.99 115.29 117.14 2kvt s HIS 66 Ca 0.63 0.55 -0.30 0.00 -0.15 0.00 0.00 55.06 55.79 2kvt s HIS 66 Cb -0.18 -4.32 -0.09 0.00 1.11 0.00 0.00 32.58 29.10 2kvt s HIS 66 CO 0.57 -2.12 0.96 -1.01 -0.85 0.00 0.00 174.74 172.29 2kvt s HIS 67 N 6.46 3.93 0.55 1.40 0.09 -1.26 -5.06 115.29 121.39 2kvt s HIS 67 Ca 0.58 1.88 -0.04 0.00 -0.00 0.00 0.00 55.06 57.48 2kvt s HIS 67 Cb -0.12 -3.02 0.01 0.00 -0.00 0.00 0.00 32.58 29.44 2kvt s HIS 67 CO 0.26 0.32 0.83 -1.01 -0.00 0.00 0.00 174.74 175.14 2kvt s HIS 68 N -1.01 3.23 -1.17 1.40 3.76 -1.26 -4.99 115.29 115.25 2kvt s HIS 68 Ca 0.42 0.50 -0.19 0.00 -0.15 0.00 0.00 55.06 55.64 2kvt s HIS 68 Cb -0.26 -2.61 0.08 0.00 1.11 0.00 0.00 32.58 30.90 2kvt s HIS 68 CO 0.33 -0.68 1.57 -1.01 -0.85 0.00 0.00 174.74 174.10 2kvt s HIS 69 N -2.85 2.78 0.11 1.40 3.76 -1.26 -4.98 115.29 114.25 2kvt s HIS 69 Ca 0.52 -1.39 -0.31 0.00 -0.15 0.00 0.00 55.06 53.73 2kvt s HIS 69 Cb -0.10 -4.67 -0.08 0.00 1.11 0.00 0.00 32.58 28.84 2kvt s HIS 69 CO 0.43 -1.80 1.42 -1.58 -0.85 0.00 0.00 174.74 172.36 2kvt s HIS 70 N 4.15 3.16 0.00 1.40 5.04 -1.26 -5.37 115.29 122.40 2kvt s HIS 70 Ca 0.49 0.88 0.00 0.00 -1.54 0.00 0.00 55.06 54.89 2kvt s HIS 70 Cb 0.01 -3.72 0.00 0.00 0.04 0.00 0.00 32.58 28.91 2kvt s HIS 70 CO -0.00 -2.57 0.11 0.72 -2.34 0.00 0.00 174.74 170.66