#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 -1.72 0.00 3.04 0.00 -1.26 -5.00 121.76 116.82 2kvs s ALA 2 Ca 0.00 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.16 2kvs s ALA 2 Cb 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 21.09 2kvs s ALA 2 CO 0.00 -1.42 0.00 0.41 0.00 0.00 0.00 175.76 174.75 2kvs n GLY 3 N 5.40 2.86 3.61 0.00 0.00 -1.26 -5.12 105.19 110.68 2kvs n GLY 3 Ca -0.01 -0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 2kvs n GLY 3 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kvs s ASP 4 N 0.00 6.30 -0.01 1.61 2.15 -1.26 -4.95 116.67 120.51 2kvs s ASP 4 Ca 0.00 0.35 0.11 0.00 0.43 0.00 0.00 52.55 53.44 2kvs s ASP 4 Cb 0.00 -2.22 0.33 0.00 -0.30 0.00 0.00 42.92 40.72 2kvs s ASP 4 CO 0.00 -0.19 1.25 -0.81 -0.17 0.00 0.00 175.17 175.25 2kvs n PRO 5 N 5.29 1.96 -3.32 4.34 -0.04 -1.26 -4.95 135.00 137.02 2kvs n PRO 5 Ca -0.08 -1.33 -0.16 0.00 -0.04 0.00 0.00 63.50 61.90 2kvs n PRO 5 Cb 0.51 -1.35 0.08 0.00 -0.04 0.00 0.00 33.50 32.70 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 0.53 -5.43 0.22 0.54 2.81 -1.26 -4.86 117.12 109.68 2kvs n MET 6 Ca 0.12 0.81 -0.15 0.00 -1.81 0.00 0.00 57.70 56.67 2kvs n MET 6 Cb 0.35 -5.68 -0.08 0.00 -0.71 0.00 0.00 33.22 27.10 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 -1.64 0.63 0.07 2.03 1.35 -1.92 0.13 112.91 113.56 2kvs h THR 7 Ca -0.56 -0.03 0.01 0.00 -0.55 0.00 0.00 66.41 65.28 2kvs h THR 7 Cb 1.32 0.65 -0.02 0.00 -1.73 0.00 0.00 68.15 68.37 2kvs h THR 7 CO 0.46 0.01 -0.14 0.15 -0.25 0.00 0.00 175.52 175.75 2kvs h PHE 8 N -0.52 -0.36 -0.76 4.73 3.57 -1.92 -2.64 116.94 119.04 2kvs h PHE 8 Ca -0.05 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.51 2kvs h PHE 8 Cb 0.40 0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.23 2kvs h PHE 8 CO -0.05 -0.21 0.45 -0.92 -2.23 0.00 0.00 178.31 175.36 2kvs h TYR 9 N -0.27 0.84 -0.80 0.41 3.20 -1.94 -1.55 116.97 116.87 2kvs h TYR 9 Ca 0.03 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.98 2kvs h TYR 9 Cb 0.29 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 38.24 2kvs h TYR 9 CO -0.16 0.43 0.52 -0.97 -1.64 0.00 0.00 178.16 176.34 2kvs h ASN 10 N 0.84 0.77 0.07 -2.11 -1.24 -0.45 -1.40 115.58 112.05 2kvs h ASN 10 Ca 0.33 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.34 2kvs h ASN 10 Cb 0.15 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.03 2kvs h ASN 10 CO -0.16 0.50 -0.03 0.15 -1.29 0.00 0.00 177.43 176.59 2kvs h PHE 11 N 0.87 -0.08 -0.03 0.67 3.57 -1.10 -3.38 116.94 117.46 2kvs h PHE 11 Ca 0.34 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.81 2kvs h PHE 11 Cb 0.22 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2kvs h PHE 11 CO -0.00 0.20 -0.12 0.97 -2.23 0.00 0.00 178.31 177.13 2kvs h ILE 12 N -1.00 1.10 -0.27 1.41 6.09 -1.23 -2.67 117.51 120.95 2kvs h ILE 12 Ca -0.01 -0.48 0.08 0.00 -1.37 0.00 0.00 64.86 63.08 2kvs h ILE 12 Cb 0.32 1.21 -0.01 0.00 0.47 0.00 0.00 36.82 38.82 2kvs h ILE 12 CO 0.01 0.14 0.20 0.00 -3.07 0.00 0.00 178.15 175.44 2kvs h MET 13 N 0.04 0.00 -0.25 2.19 -0.00 -1.43 -1.32 114.93 114.16 2kvs h MET 13 Ca 0.01 0.00 0.04 0.00 -0.00 0.00 0.00 59.70 59.75 2kvs h MET 13 Cb 0.24 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.83 2kvs h MET 13 CO 0.02 0.00 0.17 0.78 -0.00 0.00 0.00 176.91 177.88 2kvs h GLY 14 N 0.00 0.20 2.00 -3.00 0.00 -1.68 -0.58 103.07 100.01 2kvs h GLY 14 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.39 2kvs h GLY 14 CO -0.00 0.06 0.00 0.74 0.00 0.00 0.00 176.54 177.34 2kvs h PHE 15 N 0.17 0.00 0.01 5.60 -1.00 -1.44 -2.98 116.94 117.30 2kvs h PHE 15 Ca 0.11 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.69 2kvs h PHE 15 Cb 0.22 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.76 2kvs h PHE 15 CO -0.00 0.00 -0.94 0.37 -1.61 0.00 0.00 178.31 176.13 2kvs h GLN 16 N 0.00 0.03 0.00 1.51 -0.00 -1.20 -3.26 115.11 112.19 2kvs h GLN 16 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 2kvs h GLN 16 Cb 0.64 0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.13 2kvs h GLN 16 CO 0.00 0.95 0.00 0.09 0.00 0.00 0.00 178.83 179.87 2kvs n ASN 17 N -3.45 0.52 -4.12 -0.69 3.02 -1.12 -4.62 115.26 104.79 2kvs n ASN 17 Ca -0.01 0.69 -0.15 0.00 -0.03 0.00 0.00 54.58 55.09 2kvs n ASN 17 Cb 0.88 -0.78 -0.11 0.00 -0.61 0.00 0.00 39.78 39.16 2kvs n ASN 17 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2kvs s ASP 18 N -3.96 1.20 -1.07 6.41 2.15 -1.23 -5.07 116.67 115.11 2kvs s ASP 18 Ca 0.01 -0.64 -0.24 0.00 0.43 0.00 0.00 52.55 52.10 2kvs s ASP 18 Cb 0.07 0.01 -0.12 0.00 -0.30 0.00 0.00 42.92 42.58 2kvs s ASP 18 CO 0.25 -0.20 2.02 0.20 -0.17 0.00 0.00 175.17 177.28 2kvs s ASN 19 N -1.87 4.58 0.19 -0.34 0.01 -1.26 -4.76 114.94 111.49 2kvs s ASN 19 Ca -0.04 -1.16 0.11 0.00 -0.71 0.00 0.00 52.86 51.06 2kvs s ASN 19 Cb -0.08 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.96 2kvs s ASN 19 CO 0.01 -3.47 -0.22 0.42 -1.51 0.00 0.00 177.10 172.33 2kvs s THR 20 N 12.55 2.50 0.45 1.60 -4.23 -1.26 -5.04 115.64 122.21 2kvs s THR 20 Ca 0.74 -1.97 0.12 0.00 -1.18 0.00 0.00 61.69 59.40 2kvs s THR 20 Cb -0.04 -2.21 0.21 0.00 1.34 0.00 0.00 72.50 71.81 2kvs s THR 20 CO 0.11 -0.12 2.02 1.55 -0.54 0.00 0.00 174.62 177.65 2kvs h PRO 21 N 3.14 0.14 0.00 3.99 0.13 -1.92 -2.26 132.00 135.23 2kvs h PRO 21 Ca -0.46 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 64.51 2kvs h PRO 21 Cb 1.21 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2kvs h PRO 21 CO 0.49 0.21 -0.63 0.74 -0.23 0.00 0.00 178.00 178.58 2kvs h PHE 22 N 0.14 0.00 -0.09 1.56 0.04 -1.95 -3.21 116.94 113.43 2kvs h PHE 22 Ca 0.03 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.83 2kvs h PHE 22 Cb 0.19 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.34 2kvs h PHE 22 CO 0.00 0.63 0.23 0.78 -0.60 0.00 0.00 178.31 179.36 2kvs h GLY 23 N 2.25 0.00 1.01 -1.45 0.00 -1.49 -0.91 103.07 102.48 2kvs h GLY 23 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 2kvs h GLY 23 CO 0.08 0.00 0.45 -2.22 0.00 0.00 0.00 176.54 174.85 2kvs h ILE 24 N 0.00 1.21 -0.37 2.60 2.04 -1.67 0.18 117.51 121.51 2kvs h ILE 24 Ca 0.04 -0.46 -0.08 0.00 1.00 0.00 0.00 64.86 65.36 2kvs h ILE 24 Cb 0.51 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2kvs h ILE 24 CO -0.00 0.22 -0.07 0.25 0.00 0.00 0.00 178.15 178.55 2kvs h LEU 25 N 1.02 0.69 -0.51 1.44 7.12 -1.40 -0.91 115.31 122.77 2kvs h LEU 25 Ca 0.27 -0.35 0.01 0.00 0.13 0.00 0.00 57.88 57.94 2kvs h LEU 25 Cb -0.04 -0.19 -0.03 0.00 -0.53 0.00 0.00 40.66 39.87 2kvs h LEU 25 CO -0.05 0.88 0.33 0.00 -0.13 0.00 0.00 178.44 179.47 2kvs h ALA 26 N 0.83 0.65 -0.59 1.25 0.00 -1.35 0.06 119.26 120.11 2kvs h ALA 26 Ca 0.10 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2kvs h ALA 26 Cb 0.57 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2kvs h ALA 26 CO 0.03 0.06 0.13 1.49 0.00 0.00 0.00 179.25 180.96 2kvs h GLU 27 N 0.66 0.95 -0.48 0.00 4.81 -0.61 -2.68 114.58 117.23 2kvs h GLU 27 Ca 0.19 -0.24 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 2kvs h GLU 27 Cb -0.04 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 2kvs h GLU 27 CO -0.06 0.89 0.14 1.25 -0.73 0.00 0.00 179.01 180.49 2kvs h HIS 28 N 0.86 0.79 0.00 0.92 2.76 -0.63 -2.26 115.15 117.58 2kvs h HIS 28 Ca 0.18 -0.09 -0.06 0.00 -2.20 0.00 0.00 60.37 58.21 2kvs h HIS 28 Cb 0.37 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 2kvs h HIS 28 CO 0.03 0.70 -0.29 -0.39 -1.30 0.00 0.00 177.93 176.68 2kvs h VAL 29 N 0.65 1.09 0.00 5.26 -1.51 -1.00 0.51 116.25 121.25 2kvs h VAL 29 Ca 0.15 -1.04 -0.03 0.00 -1.23 0.00 0.00 66.70 64.55 2kvs h VAL 29 Cb 0.29 1.58 -0.00 0.00 -2.13 0.00 0.00 31.29 31.03 2kvs h VAL 29 CO -0.00 0.29 -0.15 -1.28 -1.23 0.00 0.00 177.57 175.19 2kvs h SER 30 N 0.00 0.00 0.28 4.19 0.87 -1.07 -0.86 113.55 116.96 2kvs h SER 30 Ca -0.00 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.22 2kvs h SER 30 Cb 0.56 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 2kvs h SER 30 CO 0.04 0.15 -1.77 -0.08 -0.53 0.00 0.00 176.83 174.64 2kvs h GLU 31 N 0.00 0.26 0.00 2.24 4.22 -0.55 -3.38 114.58 117.38 2kvs h GLU 31 Ca -0.00 -0.44 0.00 0.00 0.08 0.00 0.00 59.36 59.00 2kvs h GLU 31 Cb 0.37 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2kvs h GLU 31 CO 0.02 1.12 0.00 -3.47 -2.18 0.00 0.00 179.01 174.50 2kvs n ASP 32 N -3.44 0.44 0.00 1.04 2.03 0.16 -3.41 116.55 113.36 2kvs n ASP 32 Ca -0.24 0.56 0.06 0.00 0.52 0.00 0.00 54.79 55.69 2kvs n ASP 32 Cb 1.05 -0.67 0.36 0.00 -0.72 0.00 0.00 41.12 41.14 2kvs n ASP 32 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2kvs n LYS 33 N -1.93 0.52 0.26 -0.67 2.85 -0.35 -2.93 118.16 115.91 2kvs n LYS 33 Ca 0.05 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.44 2kvs n LYS 33 Cb 0.34 -1.36 0.71 0.00 -0.65 0.00 0.00 35.03 34.07 2kvs n LYS 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kvs h ALA 34 N 2.76 1.27 -2.66 0.58 0.00 -1.86 -3.42 119.26 115.93 2kvs h ALA 34 Ca 0.00 -0.11 -0.55 0.00 0.00 0.00 0.00 54.91 54.25 2kvs h ALA 34 Cb 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2kvs h ALA 34 CO 0.00 0.15 0.15 0.12 0.00 0.00 0.00 179.25 179.68 2kvs s PHE 35 N -4.16 3.71 -0.59 0.00 5.36 -1.15 -4.98 117.98 116.16 2kvs s PHE 35 Ca -0.03 1.44 -0.33 0.00 -0.96 0.00 0.00 56.93 57.05 2kvs s PHE 35 Cb 0.13 -2.82 -0.14 0.00 -0.34 0.00 0.00 43.02 39.84 2kvs s PHE 35 CO 0.59 0.24 2.39 -2.30 -1.46 0.00 0.00 175.22 174.67 2kvs n PRO 36 N 2.99 0.62 0.00 10.12 -0.02 -1.26 -4.87 135.00 142.58 2kvs n PRO 36 Ca -0.02 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2kvs n PRO 36 Cb 0.50 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 8.39 0.00 -3.04 -0.52 5.12 -1.26 -4.92 116.66 120.43 2kvs n ARG 37 Ca 0.49 0.09 -0.20 0.00 -1.93 0.00 0.00 57.85 56.30 2kvs n ARG 37 Cb 0.21 -0.62 0.00 0.00 -1.16 0.00 0.00 32.46 30.89 2kvs n ARG 37 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2kvs n LEU 38 N -0.76 -1.70 0.13 0.55 7.99 -1.26 -4.91 117.00 117.04 2kvs n LEU 38 Ca 0.00 -0.22 -0.06 0.00 -0.01 0.00 0.00 56.01 55.73 2kvs n LEU 38 Cb 0.00 -2.32 -0.03 0.00 -0.11 0.00 0.00 43.42 40.96 2kvs n LEU 38 CO 0.00 0.10 0.20 1.05 -1.51 0.00 0.00 177.39 177.23 2kvs h GLU 39 N -0.80 -0.36 0.00 3.23 4.11 -1.94 -3.45 114.58 115.36 2kvs h GLU 39 Ca -0.42 0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.04 2kvs h GLU 39 Cb 1.29 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.62 2kvs h GLU 39 CO 0.49 -0.24 0.00 -0.85 0.07 0.00 0.00 179.01 178.48 2kvs n GLU 40 N -4.26 0.00 -1.78 1.06 0.28 -1.26 -4.73 120.64 109.95 2kvs n GLU 40 Ca -0.05 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.53 2kvs n GLU 40 Cb 0.15 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.99 2kvs n GLU 40 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2kvs s ARG 41 N 0.00 4.16 0.26 3.44 0.52 -1.26 -4.75 118.95 121.31 2kvs s ARG 41 Ca 0.00 2.49 0.24 0.00 -0.52 0.00 0.00 55.73 57.94 2kvs s ARG 41 Cb 0.00 -3.90 0.97 0.00 0.52 0.00 0.00 34.95 32.54 2kvs s ARG 41 CO 0.00 -0.87 1.72 0.72 0.02 0.00 0.00 175.30 176.89 2kvs n HIS 42 N 6.69 0.84 0.35 -0.53 8.25 -1.26 -3.40 115.22 126.15 2kvs n HIS 42 Ca 0.18 0.32 -0.14 0.00 -0.26 0.00 0.00 57.72 57.83 2kvs n HIS 42 Cb 0.41 -1.02 -0.07 0.00 1.12 0.00 0.00 29.99 30.43 2kvs n HIS 42 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 2kvs h GLN 43 N 0.00 -0.86 -0.34 -0.41 -0.00 -1.95 -3.09 115.11 108.46 2kvs h GLN 43 Ca 0.00 0.06 0.10 0.00 -0.00 0.00 0.00 58.65 58.81 2kvs h GLN 43 Cb 0.40 0.20 -0.01 0.00 0.00 0.00 0.00 27.48 28.07 2kvs h GLN 43 CO 0.00 -0.58 0.27 -0.39 0.00 0.00 0.00 178.83 178.13 2kvs h VAL 44 N -1.03 0.71 -0.04 2.39 -1.51 -1.93 -1.47 116.25 113.37 2kvs h VAL 44 Ca -0.09 0.00 0.03 0.00 -1.23 0.00 0.00 66.70 65.41 2kvs h VAL 44 Cb 0.69 0.81 -0.03 0.00 -2.13 0.00 0.00 31.29 30.62 2kvs h VAL 44 CO 0.15 0.00 -0.14 0.40 -1.23 0.00 0.00 177.57 176.75 2kvs h ILE 45 N 0.00 0.64 -0.87 7.19 1.08 -1.61 -0.99 117.51 122.95 2kvs h ILE 45 Ca 0.16 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.68 2kvs h ILE 45 Cb 0.69 0.64 -0.05 0.00 -3.07 0.00 0.00 36.82 35.03 2kvs h ILE 45 CO -0.00 0.00 0.57 -0.09 -0.69 0.00 0.00 178.15 177.94 2kvs h ARG 46 N -0.21 0.99 0.12 2.37 2.43 -1.19 0.35 114.38 119.25 2kvs h ARG 46 Ca 0.06 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2kvs h ARG 46 Cb 0.30 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2kvs h ARG 46 CO -0.17 0.66 -0.06 0.00 -1.51 0.00 0.00 179.97 178.89 2kvs h ALA 47 N 1.51 -0.17 -0.36 2.80 0.00 -1.42 -2.62 119.26 119.01 2kvs h ALA 47 Ca 0.36 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 2kvs h ALA 47 Cb 0.13 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2kvs h ALA 47 CO -0.12 -0.45 -0.26 1.88 0.00 0.00 0.00 179.25 180.30 2kvs h TYR 48 N -0.46 0.84 -0.53 0.00 -1.99 -0.80 -2.02 116.97 112.01 2kvs h TYR 48 Ca -0.02 -0.20 -0.12 0.00 2.00 0.00 0.00 58.73 60.39 2kvs h TYR 48 Cb 0.37 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 38.88 2kvs h TYR 48 CO 0.02 0.92 -0.14 -0.39 -0.00 0.00 0.00 178.16 178.57 2kvs h VAL 49 N 0.64 1.27 0.00 -2.88 -1.51 -1.00 0.10 116.25 112.87 2kvs h VAL 49 Ca 0.08 -1.30 -0.04 0.00 -1.23 0.00 0.00 66.70 64.21 2kvs h VAL 49 Cb 0.76 1.00 -0.01 0.00 -2.13 0.00 0.00 31.29 30.92 2kvs h VAL 49 CO 0.06 0.46 -0.21 0.24 -1.23 0.00 0.00 177.57 176.89 2kvs h MET 50 N 0.91 0.00 0.17 5.19 2.86 -1.38 0.89 114.93 123.57 2kvs h MET 50 Ca 0.13 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.52 2kvs h MET 50 Cb 0.71 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.40 2kvs h MET 50 CO 0.05 0.21 -1.09 1.03 1.06 0.00 0.00 176.91 178.18 2kvs h SER 51 N 0.00 0.66 0.00 1.22 0.87 -0.88 -3.42 113.55 112.00 2kvs h SER 51 Ca -0.00 -0.91 -0.02 0.00 -1.23 0.00 0.00 61.79 59.62 2kvs h SER 51 Cb 0.54 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2kvs h SER 51 CO 0.03 1.52 -0.69 0.59 -0.53 0.00 0.00 176.83 177.75 2kvs n ASN 52 N -3.95 1.84 -4.56 6.23 3.02 0.31 -4.84 115.26 113.31 2kvs n ASN 52 Ca -0.15 0.56 -0.41 0.00 -0.03 0.00 0.00 54.58 54.56 2kvs n ASN 52 Cb 0.93 -0.85 -0.03 0.00 -0.61 0.00 0.00 39.78 39.22 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 -2.39 2.16 -0.86 3.10 2.02 0.29 -4.83 117.35 116.85 2kvs s TYR 53 Ca -0.19 0.30 0.27 0.00 -0.37 0.00 0.00 57.07 57.07 2kvs s TYR 53 Cb 0.03 -4.44 0.82 0.00 -0.40 0.00 0.00 41.96 37.96 2kvs s TYR 53 CO 0.29 -2.08 1.68 0.25 -1.57 0.00 0.00 175.55 174.11 2kvs n THR 54 N 6.71 0.24 -2.55 -0.71 -2.24 -1.26 -4.66 114.28 109.81 2kvs n THR 54 Ca 0.10 -0.13 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 2kvs n THR 54 Cb 0.50 -0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.38 2kvs n THR 54 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2kvs s ASP 55 N -3.67 7.20 0.23 3.42 2.15 -1.26 -4.96 116.67 119.78 2kvs s ASP 55 Ca 0.11 1.85 -0.08 0.00 0.43 0.00 0.00 52.55 54.86 2kvs s ASP 55 Cb 0.16 -2.57 0.21 0.00 -0.30 0.00 0.00 42.92 40.42 2kvs s ASP 55 CO 0.62 -0.39 1.89 -0.74 -0.17 0.00 0.00 175.17 176.38 2kvs h HIS 56 N 6.83 1.06 -0.52 -5.34 -0.00 -2.00 -2.24 115.15 112.95 2kvs h HIS 56 Ca -0.41 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 59.89 2kvs h HIS 56 Cb 1.21 -0.36 -0.02 0.00 -0.00 0.00 0.00 27.41 28.25 2kvs h HIS 56 CO 0.68 0.65 -0.05 1.96 -0.00 0.00 0.00 177.93 181.17 2kvs h GLN 57 N 1.13 0.92 -0.63 5.26 1.08 -1.99 0.13 115.11 121.01 2kvs h GLN 57 Ca 0.32 -0.29 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 2kvs h GLN 57 Cb -0.09 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.23 2kvs h GLN 57 CO -0.08 0.94 0.36 -0.07 -0.95 0.00 0.00 178.83 179.03 2kvs h LEU 58 N 0.84 0.77 -0.24 1.46 3.38 -1.88 -1.42 115.31 118.22 2kvs h LEU 58 Ca 0.15 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2kvs h LEU 58 Cb 0.57 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2kvs h LEU 58 CO 0.03 0.63 0.08 0.40 0.09 0.00 0.00 178.44 179.68 2kvs h ILE 59 N 0.85 1.18 -0.19 1.22 2.04 -0.99 -1.98 117.51 119.65 2kvs h ILE 59 Ca 0.22 -0.57 0.06 0.00 1.00 0.00 0.00 64.86 65.57 2kvs h ILE 59 Cb 0.02 1.11 -0.07 0.00 -0.74 0.00 0.00 36.82 37.15 2kvs h ILE 59 CO -0.04 0.19 -0.26 -0.33 0.00 0.00 0.00 178.15 177.71 2kvs h GLU 60 N 0.22 -0.29 -0.23 2.37 4.39 -0.55 -0.28 114.58 120.21 2kvs h GLU 60 Ca 0.08 0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.84 2kvs h GLU 60 Cb 0.21 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 2kvs h GLU 60 CO -0.00 -0.19 0.00 1.15 -1.16 0.00 0.00 179.01 178.80 2kvs h THR 61 N -0.30 0.84 0.66 1.13 2.02 -1.23 -3.01 112.91 113.01 2kvs h THR 61 Ca 0.12 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.24 2kvs h THR 61 Cb 0.48 0.76 0.01 0.00 -1.74 0.00 0.00 68.15 67.66 2kvs h THR 61 CO -0.36 0.01 -0.32 0.74 0.37 0.00 0.00 175.52 175.96 2kvs h THR 62 N 0.07 0.17 -0.86 3.16 2.02 -0.92 -2.51 112.91 114.04 2kvs h THR 62 Ca 0.11 -0.29 0.06 0.00 0.77 0.00 0.00 66.41 67.05 2kvs h THR 62 Cb 0.14 0.23 -0.05 0.00 -1.74 0.00 0.00 68.15 66.72 2kvs h THR 62 CO -0.18 0.02 0.56 -0.55 0.37 0.00 0.00 175.52 175.74 2kvs h ASN 63 N -1.13 0.86 -0.27 4.18 7.08 -1.13 -0.09 115.58 125.08 2kvs h ASN 63 Ca -0.09 0.00 -0.17 0.00 -3.08 0.00 0.00 56.30 52.96 2kvs h ASN 63 Cb 0.71 -0.18 -0.00 0.00 -2.08 0.00 0.00 38.32 36.77 2kvs h ASN 63 CO 0.15 0.56 -0.49 -0.09 -2.08 0.00 0.00 177.43 175.48 2kvs h ARG 64 N 0.99 0.85 -0.58 4.14 2.43 -1.59 -0.62 114.38 120.01 2kvs h ARG 64 Ca 0.37 -0.51 -0.04 0.00 -0.81 0.00 0.00 59.98 58.99 2kvs h ARG 64 Cb 0.18 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 2kvs h ARG 64 CO -0.13 1.15 0.21 0.00 -1.51 0.00 0.00 179.97 179.68 2kvs h ALA 65 N 0.76 0.75 -0.24 2.80 0.00 -0.85 -2.34 119.26 120.15 2kvs h ALA 65 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2kvs h ALA 65 Cb 1.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2kvs h ALA 65 CO 0.11 0.39 0.16 0.82 0.00 0.00 0.00 179.25 180.73 2kvs h ILE 66 N 0.80 1.06 -0.63 0.00 1.08 -0.93 -1.69 117.51 117.20 2kvs h ILE 66 Ca 0.19 -0.11 0.13 0.00 -0.39 0.00 0.00 64.86 64.68 2kvs h ILE 66 Cb 0.24 0.71 -0.11 0.00 -3.07 0.00 0.00 36.82 34.60 2kvs h ILE 66 CO -0.01 0.06 0.00 -1.28 -0.69 0.00 0.00 178.15 176.23 2kvs h SER 67 N 0.32 -0.28 0.67 1.72 0.87 -0.92 -0.81 113.55 115.13 2kvs h SER 67 Ca 0.09 0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.77 2kvs h SER 67 Cb -0.04 0.28 0.01 0.00 -0.44 0.00 0.00 62.40 62.21 2kvs h SER 67 CO -0.02 -0.12 -0.32 -0.07 -0.53 0.00 0.00 176.83 175.77 2kvs h LEU 68 N 0.12 -0.76 -0.93 2.23 3.38 -1.16 -0.97 115.31 117.22 2kvs h LEU 68 Ca 0.33 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.31 2kvs h LEU 68 Cb 0.53 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2kvs h LEU 68 CO -0.54 -0.52 0.00 -1.22 0.09 0.00 0.00 178.44 176.26 2kvs n TYR 69 N -5.46 0.02 0.04 1.13 4.02 -0.66 -1.48 117.16 114.76 2kvs n TYR 69 Ca -0.13 -0.01 0.00 0.00 -0.01 0.00 0.00 57.90 57.75 2kvs n TYR 69 Cb 0.37 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.60 2kvs n TYR 69 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 2kvs n MET 70 N -0.04 0.00 -0.11 -0.72 2.81 -0.35 -4.59 117.12 114.12 2kvs n MET 70 Ca 0.00 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.83 2kvs n MET 70 Cb 0.23 -0.50 0.01 0.00 -0.71 0.00 0.00 33.22 32.26 2kvs n MET 70 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kvs h ALA 71 N 0.00 0.43 -0.73 3.04 0.00 -1.19 -0.77 119.26 120.04 2kvs h ALA 71 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2kvs h ALA 71 Cb 0.22 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2kvs h ALA 71 CO 0.00 -0.22 0.36 -0.97 0.00 0.00 0.00 179.25 178.41 2kvs h ASN 72 N 0.33 0.94 0.52 0.00 -1.24 -1.45 -0.23 115.58 114.45 2kvs h ASN 72 Ca 0.16 -0.13 -0.03 0.00 0.71 0.00 0.00 56.30 57.01 2kvs h ASN 72 Cb 0.09 -0.24 0.01 0.00 0.73 0.00 0.00 38.32 38.91 2kvs h ASN 72 CO -0.13 0.81 -0.25 0.25 -1.29 0.00 0.00 177.43 176.82 2kvs h LEU 73 N 1.01 -0.59 -0.33 0.34 5.85 -1.63 0.39 115.31 120.35 2kvs h LEU 73 Ca 0.25 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.00 2kvs h LEU 73 Cb 0.11 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 2kvs h LEU 73 CO -0.03 -0.34 0.05 -0.33 -0.34 0.00 0.00 178.44 177.44 2kvs h GLU 74 N -0.80 0.16 0.00 1.25 5.08 -1.11 -1.35 114.58 117.81 2kvs h GLU 74 Ca -0.07 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2kvs h GLU 74 Cb 0.58 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 2kvs h GLU 74 CO 0.12 0.10 -0.09 1.25 -1.00 0.00 0.00 179.01 179.39 2kvs h HIS 75 N 0.16 0.00 0.00 4.33 2.76 -0.97 -1.78 115.15 119.66 2kvs h HIS 75 Ca 0.16 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 2kvs h HIS 75 Cb 0.19 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.15 2kvs h HIS 75 CO -0.20 0.09 -0.41 1.58 -1.30 0.00 0.00 177.93 177.70 2kvs n HIS 76 N -3.67 0.08 -0.36 5.26 -0.00 0.12 -3.98 115.22 112.67 2kvs n HIS 76 Ca -0.02 0.02 0.07 0.00 -0.00 0.00 0.00 57.72 57.79 2kvs n HIS 76 Cb 0.20 -0.36 0.24 0.00 -0.00 0.00 0.00 29.99 30.08 2kvs n HIS 76 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2kvs h HIS 77 N 0.00 1.13 0.00 1.57 6.17 -0.49 -3.45 115.15 120.08 2kvs h HIS 77 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 2kvs h HIS 77 Cb 0.53 -0.36 0.00 0.00 2.52 0.00 0.00 27.41 30.10 2kvs h HIS 77 CO 0.00 0.46 0.00 1.58 0.71 0.00 0.00 177.93 180.68 2kvs n HIS 78 N -4.60 -3.01 -3.15 5.26 -0.00 -1.26 -5.11 115.22 103.35 2kvs n HIS 78 Ca 0.18 0.62 0.06 0.00 -0.00 0.00 0.00 57.72 58.58 2kvs n HIS 78 Cb 0.34 1.79 -0.00 0.00 -0.00 0.00 0.00 29.99 32.11 2kvs n HIS 78 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kvs s HIS 79 N -1.50 -0.32 0.00 1.57 5.65 -1.26 -5.11 115.29 114.33 2kvs s HIS 79 Ca 0.00 0.21 0.00 0.00 0.25 0.00 0.00 55.06 55.52 2kvs s HIS 79 Cb 0.00 0.07 0.00 0.00 -1.18 0.00 0.00 32.58 31.47 2kvs s HIS 79 CO 0.00 -0.18 0.00 1.58 -0.65 0.00 0.00 174.74 175.49