#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvs s ALA 2 N 0.00 2.39 -0.67 3.04 0.00 -1.26 -4.85 121.76 120.41 2kvs s ALA 2 Ca 0.00 -1.28 -0.02 0.00 0.00 0.00 0.00 51.96 50.67 2kvs s ALA 2 Cb 0.00 -4.36 0.44 0.00 0.00 0.00 0.00 23.12 19.20 2kvs s ALA 2 CO 0.00 -3.76 2.00 0.41 0.00 0.00 0.00 175.76 174.41 2kvs n GLY 3 N 5.92 5.87 2.48 0.00 0.00 -1.26 -4.65 105.19 113.55 2kvs n GLY 3 Ca 0.19 -2.34 -0.14 0.00 0.00 0.00 0.00 46.02 43.73 2kvs n GLY 3 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kvs n ASP 4 N -0.87 -0.97 -0.05 1.61 5.68 -1.26 -3.82 116.55 116.86 2kvs n ASP 4 Ca 0.61 -3.32 0.00 0.00 -0.50 0.00 0.00 54.79 51.58 2kvs n ASP 4 Cb 0.63 0.73 0.00 0.00 -1.14 0.00 0.00 41.12 41.35 2kvs n ASP 4 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 2kvs n PRO 5 N 0.54 0.51 -3.67 0.11 -0.04 -1.26 -4.84 135.00 126.35 2kvs n PRO 5 Ca 0.15 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.38 2kvs n PRO 5 Cb 0.66 -1.03 0.05 0.00 -0.04 0.00 0.00 33.50 33.15 2kvs n PRO 5 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2kvs n MET 6 N -0.42 -6.17 -0.32 0.54 2.81 -1.26 -4.88 117.12 107.42 2kvs n MET 6 Ca 0.00 0.72 0.12 0.00 -1.81 0.00 0.00 57.70 56.72 2kvs n MET 6 Cb 0.01 -5.58 0.33 0.00 -0.71 0.00 0.00 33.22 27.28 2kvs n MET 6 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 2kvs h THR 7 N -2.13 0.80 -0.39 2.03 1.35 -1.81 -0.16 112.91 112.61 2kvs h THR 7 Ca -0.59 -0.27 -0.03 0.00 -0.55 0.00 0.00 66.41 64.97 2kvs h THR 7 Cb 1.36 -0.05 -0.02 0.00 -1.73 0.00 0.00 68.15 67.72 2kvs h THR 7 CO 0.58 0.14 0.12 0.15 -0.25 0.00 0.00 175.52 176.26 2kvs h PHE 8 N 0.78 0.63 -0.81 4.73 3.57 -1.87 -3.19 116.94 120.78 2kvs h PHE 8 Ca 0.51 -0.06 0.06 0.00 3.53 0.00 0.00 57.97 62.00 2kvs h PHE 8 Cb 0.76 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.27 2kvs h PHE 8 CO -0.00 0.59 0.53 -0.92 -2.23 0.00 0.00 178.31 176.28 2kvs h TYR 9 N 0.48 0.92 -0.87 0.41 3.20 -1.40 -1.92 116.97 117.79 2kvs h TYR 9 Ca 0.13 0.02 0.24 0.00 3.14 0.00 0.00 58.73 62.26 2kvs h TYR 9 Cb 0.26 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.18 2kvs h TYR 9 CO 0.01 0.50 0.61 -0.97 -1.64 0.00 0.00 178.16 176.67 2kvs h ASN 10 N 0.92 0.11 0.00 -2.11 -1.24 -1.45 0.19 115.58 112.00 2kvs h ASN 10 Ca 0.34 0.01 -0.12 0.00 0.71 0.00 0.00 56.30 57.25 2kvs h ASN 10 Cb 0.18 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.20 2kvs h ASN 10 CO -0.12 0.04 -0.80 0.15 -1.29 0.00 0.00 177.43 175.41 2kvs h PHE 11 N 0.11 0.00 0.00 0.67 3.57 -1.51 -3.40 116.94 116.39 2kvs h PHE 11 Ca 0.43 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.91 2kvs h PHE 11 Cb 1.52 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.25 2kvs h PHE 11 CO -0.00 0.83 -0.07 0.97 -2.23 0.00 0.00 178.31 177.80 2kvs h ILE 12 N -1.00 0.23 -0.00 1.41 6.09 -1.30 -2.99 117.51 119.95 2kvs h ILE 12 Ca -0.17 -0.59 0.00 0.00 -1.37 0.00 0.00 64.86 62.72 2kvs h ILE 12 Cb 0.91 1.48 -0.00 0.00 0.47 0.00 0.00 36.82 39.68 2kvs h ILE 12 CO -0.11 0.07 0.05 0.00 -3.07 0.00 0.00 178.15 175.10 2kvs h MET 13 N 0.00 0.00 0.00 2.19 -0.00 -1.17 -1.93 114.93 114.03 2kvs h MET 13 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2kvs h MET 13 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.07 2kvs h MET 13 CO 0.01 0.00 0.00 0.78 -0.00 0.00 0.00 176.91 177.70 2kvs h GLY 14 N 0.00 0.00 0.45 -3.00 0.00 -1.79 0.60 103.07 99.33 2kvs h GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kvs h GLY 14 CO -0.00 0.00 -0.90 0.69 0.00 0.00 0.00 176.54 176.33 2kvs n PHE 15 N -2.87 0.07 0.01 5.60 3.72 -0.72 -4.39 117.46 118.89 2kvs n PHE 15 Ca -0.02 0.02 -0.15 0.00 -0.05 0.00 0.00 57.45 57.25 2kvs n PHE 15 Cb 0.07 -0.21 -0.14 0.00 -0.94 0.00 0.00 39.48 38.26 2kvs n PHE 15 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 2kvs h GLN 16 N 0.00 0.15 0.02 -1.08 -0.00 -1.02 -3.12 115.11 110.06 2kvs h GLN 16 Ca 0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 58.65 58.39 2kvs h GLN 16 Cb 0.58 0.10 -0.00 0.00 0.00 0.00 0.00 27.48 28.16 2kvs h GLN 16 CO 0.00 0.90 -0.03 -0.97 0.00 0.00 0.00 178.83 178.73 2kvs h ASN 17 N 0.04 -0.10 -3.54 -0.69 -1.24 -1.70 -3.36 115.58 104.99 2kvs h ASN 17 Ca -0.30 0.01 -0.62 0.00 0.71 0.00 0.00 56.30 56.10 2kvs h ASN 17 Cb 2.01 0.03 -0.12 0.00 0.73 0.00 0.00 38.32 40.97 2kvs h ASN 17 CO 0.11 -0.04 0.25 -1.81 -1.29 0.00 0.00 177.43 174.65 2kvs s ASP 18 N -2.50 6.50 -0.22 1.15 1.01 -1.26 -4.97 116.67 116.37 2kvs s ASP 18 Ca -0.01 0.29 -0.30 0.00 0.71 0.00 0.00 52.55 53.25 2kvs s ASP 18 Cb 0.00 -2.36 -0.07 0.00 1.01 0.00 0.00 42.92 41.51 2kvs s ASP 18 CO 0.04 -0.64 2.19 0.59 0.21 0.00 0.00 175.17 177.57 2kvs n ASN 19 N 6.18 3.12 -4.39 0.27 5.03 -1.26 -4.82 115.26 119.39 2kvs n ASN 19 Ca 0.01 0.30 -0.22 0.00 0.87 0.00 0.00 54.58 55.54 2kvs n ASN 19 Cb 0.48 -1.50 -0.11 0.00 -1.02 0.00 0.00 39.78 37.64 2kvs n ASN 19 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2kvs s THR 20 N 7.79 2.07 0.47 3.41 -4.23 -1.18 -5.00 115.64 118.97 2kvs s THR 20 Ca 1.02 -2.14 0.22 0.00 -1.18 0.00 0.00 61.69 59.61 2kvs s THR 20 Cb -0.45 -2.06 0.40 0.00 1.34 0.00 0.00 72.50 71.74 2kvs s THR 20 CO 0.39 -0.37 1.90 -0.65 -0.54 0.00 0.00 174.62 175.34 2kvs h PRO 21 N 2.82 0.23 0.00 3.99 0.11 -1.93 0.22 132.00 137.44 2kvs h PRO 21 Ca -0.41 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.54 2kvs h PRO 21 Cb 1.22 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2kvs h PRO 21 CO 0.55 0.16 -0.69 0.74 -0.21 0.00 0.00 178.00 178.55 2kvs h PHE 22 N 0.24 0.00 0.00 0.65 0.04 -1.92 -3.17 116.94 112.79 2kvs h PHE 22 Ca 0.40 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.16 2kvs h PHE 22 Cb 1.21 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.36 2kvs h PHE 22 CO -0.00 0.69 -0.05 0.78 -0.60 0.00 0.00 178.31 179.13 2kvs h GLY 23 N 2.51 0.00 1.66 -1.45 0.00 -0.58 -1.44 103.07 103.77 2kvs h GLY 23 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 2kvs h GLY 23 CO 0.09 0.00 0.09 -2.22 0.00 0.00 0.00 176.54 174.50 2kvs h ILE 24 N 0.00 1.14 -0.01 2.60 1.08 -1.49 0.27 117.51 121.09 2kvs h ILE 24 Ca -0.00 -0.48 -0.00 0.00 -0.39 0.00 0.00 64.86 63.99 2kvs h ILE 24 Cb 0.12 0.81 -0.00 0.00 -3.07 0.00 0.00 36.82 34.68 2kvs h ILE 24 CO 0.01 0.18 0.00 0.25 -0.69 0.00 0.00 178.15 177.89 2kvs h LEU 25 N 0.44 0.02 -1.21 1.44 7.12 -1.44 0.68 115.31 122.35 2kvs h LEU 25 Ca 0.11 -0.24 0.02 0.00 0.13 0.00 0.00 57.88 57.90 2kvs h LEU 25 Cb 0.15 -0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.23 2kvs h LEU 25 CO -0.01 0.25 0.54 0.00 -0.13 0.00 0.00 178.44 179.09 2kvs h ALA 26 N 0.77 1.46 -0.08 1.25 0.00 -1.37 -0.84 119.26 120.45 2kvs h ALA 26 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2kvs h ALA 26 Cb 0.24 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2kvs h ALA 26 CO 0.00 0.48 0.03 1.49 0.00 0.00 0.00 179.25 181.25 2kvs h GLU 27 N 1.05 0.11 0.09 0.00 4.81 -0.34 -2.46 114.58 117.84 2kvs h GLU 27 Ca 0.31 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2kvs h GLU 27 Cb -0.04 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 2kvs h GLU 27 CO -0.08 0.22 -0.05 1.25 -0.73 0.00 0.00 179.01 179.61 2kvs h HIS 28 N -0.01 -0.14 0.00 0.92 2.76 -0.26 -1.93 115.15 116.48 2kvs h HIS 28 Ca 0.03 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 2kvs h HIS 28 Cb 0.14 0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.15 2kvs h HIS 28 CO -0.03 -0.09 -0.04 -0.39 -1.30 0.00 0.00 177.93 176.09 2kvs h VAL 29 N -0.14 0.66 -0.75 5.26 -1.51 -1.22 0.35 116.25 118.90 2kvs h VAL 29 Ca -0.01 -0.15 -0.06 0.00 -1.23 0.00 0.00 66.70 65.26 2kvs h VAL 29 Cb 0.12 1.09 -0.03 0.00 -2.13 0.00 0.00 31.29 30.33 2kvs h VAL 29 CO 0.01 0.04 0.24 -1.28 -1.23 0.00 0.00 177.57 175.34 2kvs h SER 30 N 0.00 1.09 0.08 4.19 0.87 -0.87 0.21 113.55 119.11 2kvs h SER 30 Ca -0.00 -0.21 -0.18 0.00 -1.23 0.00 0.00 61.79 60.17 2kvs h SER 30 Cb 0.09 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 61.76 2kvs h SER 30 CO 0.00 1.00 -0.67 -0.08 -0.53 0.00 0.00 176.83 176.56 2kvs h GLU 31 N 1.11 0.55 -0.10 2.24 4.57 -0.29 -3.01 114.58 119.64 2kvs h GLU 31 Ca 0.24 -0.41 0.01 0.00 -1.18 0.00 0.00 59.36 58.02 2kvs h GLU 31 Cb 0.30 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 2kvs h GLU 31 CO -0.01 1.03 0.07 -0.44 -1.18 0.00 0.00 179.01 178.48 2kvs h ASP 32 N 0.40 0.10 -0.98 1.04 3.32 -0.11 -0.80 116.42 119.39 2kvs h ASP 32 Ca -0.02 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.04 2kvs h ASP 32 Cb 1.25 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.72 2kvs h ASP 32 CO 0.12 0.07 0.65 0.50 -1.72 0.00 0.00 179.24 178.87 2kvs h LYS 33 N 0.12 1.30 0.00 3.56 1.63 -0.82 -1.94 116.57 120.42 2kvs h LYS 33 Ca 0.04 -0.08 -0.02 0.00 -0.85 0.00 0.00 60.65 59.74 2kvs h LYS 33 Cb 0.02 -0.29 -0.00 0.00 -0.60 0.00 0.00 32.23 31.35 2kvs h LYS 33 CO -0.01 0.86 -0.10 0.00 -3.45 0.00 0.00 179.45 176.75 2kvs h ALA 34 N 1.38 1.49 -2.81 5.00 0.00 -1.18 -3.41 119.26 119.73 2kvs h ALA 34 Ca 0.36 -0.09 -0.59 0.00 0.00 0.00 0.00 54.91 54.59 2kvs h ALA 34 Cb -0.15 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.56 2kvs h ALA 34 CO -0.08 0.13 -0.16 0.12 0.00 0.00 0.00 179.25 179.26 2kvs s PHE 35 N -4.47 3.63 -0.85 0.00 5.36 -0.73 -4.99 117.98 115.94 2kvs s PHE 35 Ca -0.04 0.97 -0.22 0.00 -0.96 0.00 0.00 56.93 56.68 2kvs s PHE 35 Cb 0.14 -2.44 -0.19 0.00 -0.34 0.00 0.00 43.02 40.20 2kvs s PHE 35 CO 0.61 0.41 2.12 -2.30 -1.46 0.00 0.00 175.22 174.60 2kvs n PRO 36 N 2.71 0.25 -0.04 10.12 -0.02 -1.26 -4.51 135.00 142.24 2kvs n PRO 36 Ca -0.10 -1.05 -0.03 0.00 -2.02 0.00 0.00 63.50 60.30 2kvs n PRO 36 Cb 0.52 -3.28 -0.09 0.00 -0.02 0.00 0.00 33.50 30.62 2kvs n PRO 36 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2kvs n ARG 37 N 7.78 1.65 -3.42 -0.52 1.74 -1.26 -5.08 116.66 117.55 2kvs n ARG 37 Ca 0.42 -0.03 -0.16 0.00 -0.77 0.00 0.00 57.85 57.30 2kvs n ARG 37 Cb 0.43 -1.30 0.01 0.00 -1.02 0.00 0.00 32.46 30.57 2kvs n ARG 37 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2kvs n LEU 38 N -2.30 -4.24 -4.05 0.55 4.32 -1.26 -4.97 117.00 105.05 2kvs n LEU 38 Ca -0.15 -0.42 -0.33 0.00 -0.02 0.00 0.00 56.01 55.10 2kvs n LEU 38 Cb 0.74 -2.38 -0.14 0.00 -1.62 0.00 0.00 43.42 40.02 2kvs n LEU 38 CO 0.25 -0.44 -0.27 -1.61 -1.22 0.00 0.00 177.39 174.10 2kvs s GLU 39 N -3.76 1.68 -0.10 3.23 2.02 -1.26 -4.87 118.70 115.64 2kvs s GLU 39 Ca 0.07 -1.92 0.18 0.00 0.02 0.00 0.00 54.97 53.31 2kvs s GLU 39 Cb -0.01 -3.33 -0.26 0.00 0.10 0.00 0.00 34.13 30.62 2kvs s GLU 39 CO 0.83 -0.99 0.25 -1.91 0.02 0.00 0.00 175.26 173.46 2kvs n GLU 40 N 4.26 0.83 -0.55 1.61 2.13 -1.25 -4.02 120.64 123.65 2kvs n GLU 40 Ca 0.02 -0.09 -0.05 0.00 0.66 0.00 0.00 57.16 57.70 2kvs n GLU 40 Cb 0.41 -1.46 0.03 0.00 0.27 0.00 0.00 31.44 30.69 2kvs n GLU 40 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2kvs n ARG 41 N -2.40 0.04 0.00 5.31 3.00 -1.26 -4.58 116.66 116.76 2kvs n ARG 41 Ca -0.16 -0.39 0.00 0.00 -0.01 0.00 0.00 57.85 57.29 2kvs n ARG 41 Cb 0.78 -0.19 0.00 0.00 0.00 0.00 0.00 32.46 33.05 2kvs n ARG 41 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2kvs n HIS 42 N -2.07 0.00 -0.18 -1.55 8.25 -1.26 -4.70 115.22 113.71 2kvs n HIS 42 Ca 0.03 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.51 2kvs n HIS 42 Cb 0.10 0.13 0.30 0.00 1.12 0.00 0.00 29.99 31.63 2kvs n HIS 42 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2kvs h GLN 43 N 0.00 0.87 -0.92 -0.41 4.20 -1.99 -1.19 115.11 115.66 2kvs h GLN 43 Ca 0.00 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.67 2kvs h GLN 43 Cb 0.72 -0.20 -0.05 0.00 0.30 0.00 0.00 27.48 28.25 2kvs h GLN 43 CO 0.00 0.57 0.61 -0.24 -0.67 0.00 0.00 178.83 179.10 2kvs h VAL 44 N 0.89 1.24 -0.47 -0.54 3.04 -2.00 -1.48 116.25 116.93 2kvs h VAL 44 Ca 0.27 -0.45 -0.05 0.00 -1.01 0.00 0.00 66.70 65.47 2kvs h VAL 44 Cb -0.02 -0.12 -0.02 0.00 -2.01 0.00 0.00 31.29 29.12 2kvs h VAL 44 CO -0.07 0.23 0.11 0.40 -1.01 0.00 0.00 177.57 177.24 2kvs h ILE 45 N 1.26 1.24 -0.86 3.17 2.04 -1.54 0.71 117.51 123.52 2kvs h ILE 45 Ca 0.34 -0.83 0.11 0.00 1.00 0.00 0.00 64.86 65.48 2kvs h ILE 45 Cb -0.14 0.88 -0.06 0.00 -0.74 0.00 0.00 36.82 36.76 2kvs h ILE 45 CO -0.07 0.30 0.56 -0.09 0.00 0.00 0.00 178.15 178.84 2kvs h ARG 46 N 0.63 0.77 -0.06 2.37 1.12 -0.81 0.14 114.38 118.53 2kvs h ARG 46 Ca 0.15 -0.05 -0.23 0.00 -1.11 0.00 0.00 59.98 58.74 2kvs h ARG 46 Cb 0.33 -0.17 0.01 0.00 -0.01 0.00 0.00 29.97 30.12 2kvs h ARG 46 CO 0.00 0.51 -0.90 0.00 -3.11 0.00 0.00 179.97 176.47 2kvs h ALA 47 N 1.58 0.30 -0.46 2.80 0.00 -0.90 -3.26 119.26 119.32 2kvs h ALA 47 Ca 0.41 -0.66 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 2kvs h ALA 47 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2kvs h ALA 47 CO -0.17 0.72 0.05 -0.92 0.00 0.00 0.00 179.25 178.92 2kvs h TYR 48 N 0.40 0.84 -0.67 0.00 3.20 0.51 -3.08 116.97 118.16 2kvs h TYR 48 Ca -0.08 -0.13 -0.05 0.00 3.14 0.00 0.00 58.73 61.61 2kvs h TYR 48 Cb 1.53 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 39.54 2kvs h TYR 48 CO 0.08 0.80 0.22 -0.39 -1.64 0.00 0.00 178.16 177.23 2kvs h VAL 49 N 0.64 1.25 0.00 1.81 -1.51 -0.91 -1.19 116.25 116.34 2kvs h VAL 49 Ca 0.14 -0.85 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 2kvs h VAL 49 Cb 0.43 0.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.13 2kvs h VAL 49 CO 0.01 0.33 0.00 0.24 -1.23 0.00 0.00 177.57 176.93 2kvs h MET 50 N 0.98 0.00 0.08 5.19 2.86 -1.59 -0.85 114.93 121.60 2kvs h MET 50 Ca 0.22 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.53 2kvs h MET 50 Cb 0.28 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 2kvs h MET 50 CO -0.01 0.00 -1.83 0.45 1.06 0.00 0.00 176.91 176.58 2kvs n SER 51 N -3.00 2.04 -0.10 1.22 2.88 -0.76 -4.71 113.62 111.19 2kvs n SER 51 Ca -0.01 0.26 -0.12 0.00 -1.33 0.00 0.00 58.87 57.67 2kvs n SER 51 Cb 0.18 -0.88 -0.13 0.00 -0.75 0.00 0.00 64.21 62.64 2kvs n SER 51 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2kvs n ASN 52 N -3.76 1.27 -4.72 -3.46 3.02 -0.52 -4.97 115.26 102.11 2kvs n ASN 52 Ca -0.33 -0.06 -0.40 0.00 -0.03 0.00 0.00 54.58 53.76 2kvs n ASN 52 Cb 0.94 0.35 -0.05 0.00 -0.61 0.00 0.00 39.78 40.41 2kvs n ASN 52 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2kvs s TYR 53 N -2.45 3.61 -0.07 3.10 1.51 -0.33 -5.00 117.35 117.72 2kvs s TYR 53 Ca -0.19 1.32 -0.09 0.00 -1.01 0.00 0.00 57.07 57.10 2kvs s TYR 53 Cb 0.07 -2.83 -0.05 0.00 -0.11 0.00 0.00 41.96 39.03 2kvs s TYR 53 CO 0.65 0.11 0.36 0.00 -1.11 0.00 0.00 175.55 175.56 2kvs h THR 54 N 4.66 0.08 -4.09 -0.71 1.03 -1.93 -3.45 112.91 108.50 2kvs h THR 54 Ca -0.42 -0.84 -0.47 0.00 -0.01 0.00 0.00 66.41 64.67 2kvs h THR 54 Cb 1.20 0.14 0.03 0.00 -1.07 0.00 0.00 68.15 68.45 2kvs h THR 54 CO 0.74 0.02 0.39 -1.81 -0.01 0.00 0.00 175.52 174.85 2kvs s ASP 55 N -5.26 6.25 0.25 0.00 1.01 -1.26 -4.96 116.67 112.70 2kvs s ASP 55 Ca -0.05 1.92 0.00 0.00 0.71 0.00 0.00 52.55 55.14 2kvs s ASP 55 Cb 0.00 -2.56 0.31 0.00 1.01 0.00 0.00 42.92 41.69 2kvs s ASP 55 CO 0.15 -0.84 1.67 0.45 0.21 0.00 0.00 175.17 176.81 2kvs h HIS 56 N 1.41 0.64 0.00 4.23 3.86 -1.99 -2.08 115.15 121.22 2kvs h HIS 56 Ca -0.49 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 58.57 2kvs h HIS 56 Cb 1.22 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.54 2kvs h HIS 56 CO 0.57 0.79 0.00 1.04 0.86 0.00 0.00 177.93 181.19 2kvs n GLN 57 N -4.09 0.71 -0.13 2.45 1.13 -1.26 0.73 117.38 116.91 2kvs n GLN 57 Ca -0.01 0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 54.80 2kvs n GLN 57 Cb 0.44 -1.26 -0.11 0.00 0.11 0.00 0.00 30.24 29.43 2kvs n GLN 57 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2kvs n LEU 58 N -0.76 2.28 0.11 1.08 4.77 -0.81 -4.29 117.00 119.39 2kvs n LEU 58 Ca 0.09 0.18 -0.06 0.00 -0.03 0.00 0.00 56.01 56.19 2kvs n LEU 58 Cb 0.04 -0.84 -0.03 0.00 -2.33 0.00 0.00 43.42 40.27 2kvs n LEU 58 CO 0.07 0.69 0.16 0.40 -1.33 0.00 0.00 177.39 177.38 2kvs h ILE 59 N -0.66 0.00 -0.63 -0.08 2.04 -1.11 -3.08 117.51 113.99 2kvs h ILE 59 Ca -0.66 -0.61 0.09 0.00 1.00 0.00 0.00 64.86 64.69 2kvs h ILE 59 Cb 1.70 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 2kvs h ILE 59 CO -0.31 0.00 0.42 -0.08 0.00 0.00 0.00 178.15 178.17 2kvs h GLU 60 N -0.98 0.46 -0.52 2.37 4.81 0.03 0.88 114.58 121.62 2kvs h GLU 60 Ca -0.04 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 2kvs h GLU 60 Cb 0.28 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 2kvs h GLU 60 CO 0.06 0.30 0.25 1.15 -0.73 0.00 0.00 179.01 180.04 2kvs h THR 61 N 0.47 1.20 -0.26 0.32 2.02 -1.69 0.26 112.91 115.23 2kvs h THR 61 Ca 0.29 -0.57 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 2kvs h THR 61 Cb 0.50 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 2kvs h THR 61 CO -0.09 0.22 0.11 0.74 0.37 0.00 0.00 175.52 176.88 2kvs h THR 62 N 0.70 1.16 -0.47 3.16 2.02 -0.96 0.01 112.91 118.53 2kvs h THR 62 Ca 0.18 -0.49 0.06 0.00 0.77 0.00 0.00 66.41 66.93 2kvs h THR 62 Cb 0.13 1.01 -0.05 0.00 -1.74 0.00 0.00 68.15 67.50 2kvs h THR 62 CO -0.02 0.17 0.17 0.78 0.37 0.00 0.00 175.52 176.99 2kvs h ASN 63 N 0.27 0.19 -0.46 4.18 2.35 -0.70 -0.29 115.58 121.12 2kvs h ASN 63 Ca 0.09 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 2kvs h ASN 63 Cb 0.16 0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 2kvs h ASN 63 CO -0.01 0.14 0.26 -0.09 -1.65 0.00 0.00 177.43 176.08 2kvs h ARG 64 N 0.35 0.64 -0.78 0.81 2.43 -0.32 -0.40 114.38 117.11 2kvs h ARG 64 Ca 0.22 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 2kvs h ARG 64 Cb 0.22 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.59 2kvs h ARG 64 CO -0.22 0.50 0.50 0.00 -1.51 0.00 0.00 179.97 179.24 2kvs h ALA 65 N 1.11 1.03 -0.06 2.80 0.00 -0.48 0.56 119.26 124.21 2kvs h ALA 65 Ca 0.16 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2kvs h ALA 65 Cb 0.04 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 2kvs h ALA 65 CO -0.03 0.32 0.02 0.82 0.00 0.00 0.00 179.25 180.38 2kvs h ILE 66 N 0.98 1.15 -0.25 0.00 1.08 -0.76 -0.16 117.51 119.55 2kvs h ILE 66 Ca 0.31 -0.44 0.03 0.00 -0.39 0.00 0.00 64.86 64.37 2kvs h ILE 66 Cb 0.00 1.33 -0.03 0.00 -3.07 0.00 0.00 36.82 35.05 2kvs h ILE 66 CO -0.11 0.13 0.07 0.28 -0.69 0.00 0.00 178.15 177.82 2kvs h SER 67 N -0.07 0.05 -0.49 1.72 0.02 -0.69 0.67 113.55 114.77 2kvs h SER 67 Ca 0.02 0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.92 2kvs h SER 67 Cb 0.18 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 2kvs h SER 67 CO -0.00 0.06 -0.01 -0.07 -1.14 0.00 0.00 176.83 175.67 2kvs h LEU 68 N 0.17 0.86 0.04 5.07 3.38 -0.90 0.12 115.31 124.06 2kvs h LEU 68 Ca 0.11 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.79 2kvs h LEU 68 Cb 0.09 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2kvs h LEU 68 CO -0.13 0.97 -0.16 0.22 0.09 0.00 0.00 178.44 179.42 2kvs h TYR 69 N 0.74 -0.43 -0.21 1.13 3.20 -0.75 0.11 116.97 120.76 2kvs h TYR 69 Ca 0.14 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 2kvs h TYR 69 Cb 0.53 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 2kvs h TYR 69 CO 0.04 -0.24 0.10 0.52 -1.64 0.00 0.00 178.16 176.94 2kvs h MET 70 N -0.29 0.31 -0.62 1.82 2.86 -0.78 -0.99 114.93 117.24 2kvs h MET 70 Ca 0.04 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.65 2kvs h MET 70 Cb 0.34 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 2kvs h MET 70 CO -0.13 0.34 0.38 0.00 1.06 0.00 0.00 176.91 178.57 2kvs h ALA 71 N 0.95 0.80 -0.21 6.32 0.00 -0.62 0.10 119.26 126.60 2kvs h ALA 71 Ca 0.07 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2kvs h ALA 71 Cb 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2kvs h ALA 71 CO -0.01 0.13 -0.39 -0.97 0.00 0.00 0.00 179.25 178.01 2kvs h ASN 72 N 0.75 0.50 -0.36 0.00 -1.24 -0.69 -0.40 115.58 114.15 2kvs h ASN 72 Ca 0.25 -0.22 -0.07 0.00 0.71 0.00 0.00 56.30 56.97 2kvs h ASN 72 Cb 0.01 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 38.91 2kvs h ASN 72 CO -0.10 0.85 -0.03 0.25 -1.29 0.00 0.00 177.43 177.11 2kvs h LEU 73 N 0.40 0.65 -0.70 0.34 5.85 -0.64 -0.36 115.31 120.86 2kvs h LEU 73 Ca 0.04 -0.33 -0.09 0.00 0.84 0.00 0.00 57.88 58.34 2kvs h LEU 73 Cb 0.86 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 2kvs h LEU 73 CO 0.07 0.83 0.05 -0.33 -0.34 0.00 0.00 178.44 178.72 2kvs h GLU 74 N 0.47 1.06 -0.66 1.25 4.39 -0.69 -1.50 114.58 118.90 2kvs h GLU 74 Ca 0.10 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 2kvs h GLU 74 Cb 0.51 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 2kvs h GLU 74 CO 0.02 1.00 0.38 0.45 -1.16 0.00 0.00 179.01 179.71 2kvs h HIS 75 N 0.98 0.87 0.00 4.33 3.86 -0.99 0.00 115.15 124.20 2kvs h HIS 75 Ca 0.19 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2kvs h HIS 75 Cb 0.49 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.67 2kvs h HIS 75 CO 0.03 0.59 0.00 1.58 0.86 0.00 0.00 177.93 181.00 2kvs n HIS 76 N -4.39 0.65 -0.05 2.45 -0.00 -0.15 -3.62 115.22 110.11 2kvs n HIS 76 Ca 0.06 0.26 -0.03 0.00 -0.00 0.00 0.00 57.72 58.02 2kvs n HIS 76 Cb 0.08 -0.92 -0.01 0.00 -0.00 0.00 0.00 29.99 29.14 2kvs n HIS 76 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2kvs h HIS 77 N 0.00 0.00 0.00 1.57 -0.00 -0.07 -3.48 115.15 113.17 2kvs h HIS 77 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2kvs h HIS 77 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.74 2kvs h HIS 77 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 177.93 178.65 2kvs n HIS 78 N -4.06 0.00 -1.85 2.45 8.25 -0.38 -4.90 115.22 114.74 2kvs n HIS 78 Ca -0.05 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.00 2kvs n HIS 78 Cb 0.17 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.25 2kvs n HIS 78 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kvs s HIS 79 N 0.00 1.53 0.00 4.41 5.65 -1.26 -5.09 115.29 120.52 2kvs s HIS 79 Ca 0.00 0.74 0.00 0.00 0.25 0.00 0.00 55.06 56.05 2kvs s HIS 79 Cb 0.00 -4.00 0.00 0.00 -1.18 0.00 0.00 32.58 27.40 2kvs s HIS 79 CO 0.00 -3.12 0.00 1.58 -0.65 0.00 0.00 174.74 172.55