#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 1.54 0.00 3.04 0.00 -1.26 -4.96 121.76 120.12 2kvs s ALA 2 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.76 2kvs s ALA 2 Cb 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 23.12 21.73 2kvs s ALA 2 CO 0.00 -1.29 0.00 0.41 0.00 0.00 0.00 175.76 174.88 2kvs n GLY 3 N 4.84 2.09 3.15 0.00 0.00 -1.26 -4.49 105.19 109.52 2kvs n GLY 3 Ca -0.08 0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.86 -0.78 0.55 1.61 2.15 -1.26 -5.02 116.67 112.06 2kvs s ASP 4 Ca 0.00 0.33 0.34 0.00 0.43 0.00 0.00 52.55 53.65 2kvs s ASP 4 Cb 0.00 1.59 1.39 0.00 -0.30 0.00 0.00 42.92 45.61 2kvs s ASP 4 CO 0.00 -0.14 2.00 -0.65 -0.17 0.00 0.00 175.17 176.20 2kvs h PRO 5 N 7.83 0.00 0.05 4.34 0.11 -1.89 -3.36 132.00 139.08 2kvs h PRO 5 Ca -0.13 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 2kvs h PRO 5 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2kvs h PRO 5 CO 0.00 0.01 -0.02 0.52 -0.21 0.00 0.00 178.00 178.30 2kvs h MET 6 N 0.00 -0.06 0.00 1.05 2.86 -1.95 -3.42 114.93 113.40 2kvs h MET 6 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2kvs h MET 6 Cb 0.50 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2kvs h MET 6 CO 0.00 -0.04 0.00 0.25 1.06 0.00 0.00 176.91 178.18 2kvs n THR 7 N -2.23 0.00 -0.05 2.22 -2.24 -1.26 -1.51 114.28 109.21 2kvs n THR 7 Ca -0.01 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.70 2kvs n THR 7 Cb 0.02 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.24 2kvs n THR 7 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2kvs h PHE 8 N 0.00 -0.34 -0.33 4.78 3.57 -1.92 0.25 116.94 122.94 2kvs h PHE 8 Ca 0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 2kvs h PHE 8 Cb 0.00 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 2kvs h PHE 8 CO 0.00 -0.21 0.20 -0.92 -2.23 0.00 0.00 178.31 175.15 2kvs h TYR 9 N -0.12 0.43 -0.04 0.41 3.20 -1.61 0.13 116.97 119.37 2kvs h TYR 9 Ca 0.13 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.86 2kvs h TYR 9 Cb 0.32 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 2kvs h TYR 9 CO -0.31 0.29 -0.63 -0.97 -1.64 0.00 0.00 178.16 174.90 2kvs h ASN 10 N 0.46 0.19 0.11 -2.11 -1.24 -1.34 -3.30 115.58 108.35 2kvs h ASN 10 Ca 0.12 -0.11 -0.36 0.00 0.71 0.00 0.00 56.30 56.66 2kvs h ASN 10 Cb -0.01 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 38.96 2kvs h ASN 10 CO -0.02 0.77 -1.99 0.33 -1.29 0.00 0.00 177.43 175.22 2kvs n PHE 11 N -3.84 1.17 -0.11 0.67 7.35 0.73 -4.33 117.46 119.11 2kvs n PHE 11 Ca -0.02 0.26 0.03 0.00 -0.76 0.00 0.00 57.45 56.96 2kvs n PHE 11 Cb 0.63 -1.15 0.35 0.00 0.35 0.00 0.00 39.48 39.66 2kvs n PHE 11 CO 0.00 0.00 0.00 0.97 -0.76 0.00 0.00 176.76 176.97 2kvs h ILE 12 N 0.01 1.12 0.00 -2.13 6.09 -0.90 0.22 117.51 121.92 2kvs h ILE 12 Ca -0.43 -0.26 -0.01 0.00 -1.37 0.00 0.00 64.86 62.79 2kvs h ILE 12 Cb 1.99 0.30 -0.00 0.00 0.47 0.00 0.00 36.82 39.58 2kvs h ILE 12 CO 0.06 0.14 -0.03 0.24 -3.07 0.00 0.00 178.15 175.49 2kvs h MET 13 N 0.76 0.00 0.00 2.19 2.86 -1.75 -1.18 114.93 117.80 2kvs h MET 13 Ca 0.22 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.85 2kvs h MET 13 Cb -0.03 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.62 2kvs h MET 13 CO -0.05 0.03 -0.06 0.78 1.06 0.00 0.00 176.91 178.66 2kvs h GLY 14 N 0.62 0.00 1.68 8.32 0.00 -1.15 -1.60 103.07 110.95 2kvs h GLY 14 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 2kvs h GLY 14 CO 0.00 0.00 -1.16 0.74 0.00 0.00 0.00 176.54 176.12 2kvs h PHE 15 N 0.00 0.00 0.00 5.60 0.04 -1.33 -3.21 116.94 118.04 2kvs h PHE 15 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2kvs h PHE 15 Cb 0.26 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.41 2kvs h PHE 15 CO 0.00 0.94 0.00 0.94 -0.60 0.00 0.00 178.31 179.59 2kvs n GLN 16 N -3.24 0.01 0.25 1.51 -0.06 -0.63 -2.07 117.38 113.16 2kvs n GLN 16 Ca -0.05 0.27 0.17 0.00 -2.00 0.00 0.00 57.00 55.40 2kvs n GLN 16 Cb 0.95 -1.50 0.89 0.00 -4.06 0.00 0.00 30.24 26.51 2kvs n GLN 16 CO 0.00 0.00 0.00 -0.97 -0.20 0.00 0.00 177.06 175.89 2kvs h ASN 17 N 0.00 0.00 -5.05 1.69 -0.73 -1.49 -3.43 115.58 106.57 2kvs h ASN 17 Ca 0.00 0.00 -0.16 0.00 1.87 0.00 0.00 56.30 58.01 2kvs h ASN 17 Cb 0.22 0.00 -0.17 0.00 0.27 0.00 0.00 38.32 38.64 2kvs h ASN 17 CO 0.00 0.00 -0.69 -0.62 -0.37 0.00 0.00 177.43 175.75 2kvs s ASP 18 N -4.71 0.51 -0.93 1.15 -1.08 -0.88 -5.08 116.67 105.65 2kvs s ASP 18 Ca -0.03 -0.80 -0.25 0.00 -0.52 0.00 0.00 52.55 50.96 2kvs s ASP 18 Cb 0.10 0.14 -0.09 0.00 -1.46 0.00 0.00 42.92 41.61 2kvs s ASP 18 CO 0.34 -0.45 2.08 0.20 0.52 0.00 0.00 175.17 177.86 2kvs s ASN 19 N -2.34 4.65 0.09 -0.34 -0.87 -1.26 -4.73 114.94 110.14 2kvs s ASN 19 Ca -0.02 -0.67 0.04 0.00 -1.57 0.00 0.00 52.86 50.64 2kvs s ASN 19 Cb 0.00 -2.57 -0.03 0.00 -0.02 0.00 0.00 41.25 38.63 2kvs s ASN 19 CO -0.06 -3.28 -0.11 0.42 -2.57 0.00 0.00 177.10 171.51 2kvs s THR 20 N 12.08 1.00 0.57 1.60 -4.23 -1.26 -5.03 115.64 120.36 2kvs s THR 20 Ca 0.77 -1.58 0.26 0.00 -1.18 0.00 0.00 61.69 59.96 2kvs s THR 20 Cb -0.07 -1.31 0.35 0.00 1.34 0.00 0.00 72.50 72.81 2kvs s THR 20 CO 0.05 -0.49 2.09 -0.65 -0.54 0.00 0.00 174.62 175.09 2kvs h PRO 21 N 3.69 0.00 -0.90 3.99 0.11 -1.94 -1.29 132.00 135.66 2kvs h PRO 21 Ca -0.38 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.71 2kvs h PRO 21 Cb 1.19 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 2kvs h PRO 21 CO 0.50 0.00 0.49 0.74 -0.21 0.00 0.00 178.00 179.52 2kvs h PHE 22 N 0.00 1.24 -0.31 0.65 -1.00 -1.94 -2.60 116.94 112.98 2kvs h PHE 22 Ca 0.10 -0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.83 2kvs h PHE 22 Cb 0.50 -0.40 -0.02 0.00 3.61 0.00 0.00 35.95 39.65 2kvs h PHE 22 CO 0.00 0.86 0.08 0.78 -1.61 0.00 0.00 178.31 178.42 2kvs h GLY 23 N 1.27 0.48 0.61 -1.45 0.00 -1.43 -2.28 103.07 100.25 2kvs h GLY 23 Ca 0.32 -0.23 0.05 0.00 0.00 0.00 0.00 47.33 47.46 2kvs h GLY 23 CO -0.05 0.22 0.06 -2.22 0.00 0.00 0.00 176.54 174.55 2kvs h ILE 24 N 0.44 0.84 -0.31 2.60 1.08 -1.47 -1.83 117.51 118.86 2kvs h ILE 24 Ca 0.11 -0.06 0.03 0.00 -0.39 0.00 0.00 64.86 64.55 2kvs h ILE 24 Cb 0.16 0.65 -0.03 0.00 -3.07 0.00 0.00 36.82 34.53 2kvs h ILE 24 CO -0.01 0.03 0.12 0.25 -0.69 0.00 0.00 178.15 177.85 2kvs h LEU 25 N 0.17 0.14 -0.14 1.44 7.12 -1.44 -1.09 115.31 121.50 2kvs h LEU 25 Ca 0.15 0.03 0.05 0.00 0.13 0.00 0.00 57.88 58.24 2kvs h LEU 25 Cb 0.17 0.01 -0.07 0.00 -0.53 0.00 0.00 40.66 40.24 2kvs h LEU 25 CO -0.20 0.12 -0.34 0.00 -0.13 0.00 0.00 178.44 177.88 2kvs h ALA 26 N 1.19 -0.41 0.00 1.25 0.00 -0.85 0.54 119.26 120.97 2kvs h ALA 26 Ca 0.14 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2kvs h ALA 26 Cb 0.09 0.65 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2kvs h ALA 26 CO -0.13 -0.82 0.00 0.93 0.00 0.00 0.00 179.25 179.23 2kvs h GLU 27 N -0.41 0.00 0.05 0.00 5.08 -1.32 -1.58 114.58 116.40 2kvs h GLU 27 Ca 0.09 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.21 2kvs h GLU 27 Cb 0.57 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 2kvs h GLU 27 CO -0.37 0.00 -1.15 1.25 -1.00 0.00 0.00 179.01 177.74 2kvs h HIS 28 N 0.00 0.18 0.08 4.33 2.76 -0.54 -1.11 115.15 120.85 2kvs h HIS 28 Ca 0.00 -0.13 -0.26 0.00 -2.20 0.00 0.00 60.37 57.78 2kvs h HIS 28 Cb 0.84 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.78 2kvs h HIS 28 CO 0.00 1.11 -1.25 -0.39 -1.30 0.00 0.00 177.93 176.11 2kvs h VAL 29 N 0.03 1.47 0.00 5.26 -1.51 -0.90 -3.16 116.25 117.43 2kvs h VAL 29 Ca -0.08 -3.11 -0.01 0.00 -1.23 0.00 0.00 66.70 62.27 2kvs h VAL 29 Cb 1.86 2.85 -0.00 0.00 -2.13 0.00 0.00 31.29 33.87 2kvs h VAL 29 CO 0.15 0.88 -0.04 -1.28 -1.23 0.00 0.00 177.57 176.06 2kvs h SER 30 N 0.05 0.00 -0.15 4.19 0.87 -1.35 -3.20 113.55 113.95 2kvs h SER 30 Ca -0.12 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.48 2kvs h SER 30 Cb 1.92 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.83 2kvs h SER 30 CO 0.17 0.04 -0.18 -0.08 -0.53 0.00 0.00 176.83 176.24 2kvs h GLU 31 N 0.00 -0.21 -5.86 2.24 4.81 -1.16 -3.30 114.58 111.10 2kvs h GLU 31 Ca -0.00 0.01 -0.68 0.00 -0.13 0.00 0.00 59.36 58.56 2kvs h GLU 31 Cb 0.45 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.80 2kvs h GLU 31 CO 0.00 -0.14 2.21 0.34 -0.73 0.00 0.00 179.01 180.69 2kvs s ASP 32 N -5.04 6.84 0.00 1.04 2.15 -1.21 -4.49 116.67 115.96 2kvs s ASP 32 Ca -0.15 -2.45 0.14 0.00 0.43 0.00 0.00 52.55 50.53 2kvs s ASP 32 Cb 0.11 -2.58 0.37 0.00 -0.30 0.00 0.00 42.92 40.52 2kvs s ASP 32 CO 0.68 -1.17 1.30 2.29 -0.17 0.00 0.00 175.17 178.09 2kvs n LYS 33 N 8.40 2.65 0.09 4.34 2.85 -1.24 -4.47 118.16 130.77 2kvs n LYS 33 Ca 0.49 -2.13 -0.08 0.00 -1.05 0.00 0.00 58.31 55.54 2kvs n LYS 33 Cb 0.46 -1.34 -0.03 0.00 -0.65 0.00 0.00 35.03 33.46 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 2.68 0.49 -3.18 0.58 0.00 -1.93 -3.38 119.26 114.52 2kvs h ALA 34 Ca 0.00 -0.77 -0.70 0.00 0.00 0.00 0.00 54.91 53.44 2kvs h ALA 34 Cb 0.78 -0.10 -0.35 0.00 0.00 0.00 0.00 17.79 18.12 2kvs h ALA 34 CO 0.00 1.00 -0.36 -0.06 0.00 0.00 0.00 179.25 179.83 2kvs s PHE 35 N -3.06 3.40 -0.52 0.00 0.08 -1.26 -5.07 117.98 111.56 2kvs s PHE 35 Ca -0.02 -2.74 -0.27 0.00 0.12 0.00 0.00 56.93 54.03 2kvs s PHE 35 Cb 0.10 -3.19 -0.03 0.00 -0.57 0.00 0.00 43.02 39.33 2kvs s PHE 35 CO 0.82 -0.83 2.01 -2.14 -0.10 0.00 0.00 175.22 174.98 2kvs s PRO 36 N -0.13 2.63 -0.06 0.24 0.02 -1.26 -4.87 135.00 131.58 2kvs s PRO 36 Ca 0.17 1.01 -0.01 0.00 0.02 0.00 0.00 61.00 62.20 2kvs s PRO 36 Cb -0.20 -4.41 -0.00 0.00 0.02 0.00 0.00 34.50 29.91 2kvs s PRO 36 CO -0.03 -2.70 -0.02 0.00 -0.33 0.00 0.00 177.00 173.92 2kvs h ARG 37 N 15.82 0.00 -5.26 5.54 2.47 -1.96 -3.48 114.38 127.51 2kvs h ARG 37 Ca -0.27 0.00 -0.41 0.00 -1.26 0.00 0.00 59.98 58.04 2kvs h ARG 37 Cb 1.19 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.50 2kvs h ARG 37 CO 1.16 0.00 -0.62 1.28 0.56 0.00 0.00 179.97 182.35 2kvs n LEU 38 N -3.47 -2.24 -0.17 3.04 4.32 -1.26 -4.84 117.00 112.38 2kvs n LEU 38 Ca -0.01 -0.43 0.29 0.00 -0.02 0.00 0.00 56.01 55.85 2kvs n LEU 38 Cb 0.03 -2.56 0.72 0.00 -1.62 0.00 0.00 43.42 39.99 2kvs n LEU 38 CO 0.01 0.27 1.27 -0.33 -1.22 0.00 0.00 177.39 177.38 2kvs h GLU 39 N -1.41 0.00 0.00 3.23 4.39 -1.93 -3.45 114.58 115.41 2kvs h GLU 39 Ca -0.50 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.20 2kvs h GLU 39 Cb 1.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 2kvs h GLU 39 CO 0.57 0.00 0.00 -1.91 -1.16 0.00 0.00 179.01 176.51 2kvs n GLU 40 N -4.05 0.00 -1.55 2.33 2.13 -1.26 -4.88 120.64 113.35 2kvs n GLU 40 Ca 0.19 0.00 -0.45 0.00 0.66 0.00 0.00 57.16 57.56 2kvs n GLU 40 Cb 1.02 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.69 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 0.00 1.64 0.15 5.31 1.74 -1.26 -4.85 116.66 119.40 2kvs n ARG 41 Ca 0.00 0.43 0.02 0.00 -0.77 0.00 0.00 57.85 57.54 2kvs n ARG 41 Cb 0.00 -3.01 0.17 0.00 -1.02 0.00 0.00 32.46 28.60 2kvs n ARG 41 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2kvs h HIS 42 N 14.50 0.00 -0.44 -1.55 3.86 -1.93 -3.24 115.15 126.35 2kvs h HIS 42 Ca -0.36 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 58.88 2kvs h HIS 42 Cb 1.27 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.71 2kvs h HIS 42 CO 0.95 0.52 0.30 0.37 0.86 0.00 0.00 177.93 180.92 2kvs h GLN 43 N 0.00 0.47 0.00 2.45 4.15 -2.01 -2.45 115.11 117.72 2kvs h GLN 43 Ca -0.01 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.31 2kvs h GLN 43 Cb 1.17 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.75 2kvs h GLN 43 CO 0.07 0.31 -0.38 -0.39 -1.93 0.00 0.00 178.83 176.51 2kvs h VAL 44 N 0.48 0.85 -0.31 2.39 -1.51 -1.97 -3.29 116.25 112.88 2kvs h VAL 44 Ca 0.18 -1.58 0.02 0.00 -1.23 0.00 0.00 66.70 64.09 2kvs h VAL 44 Cb 0.12 1.98 -0.03 0.00 -2.13 0.00 0.00 31.29 31.24 2kvs h VAL 44 CO -0.04 0.37 0.16 0.40 -1.23 0.00 0.00 177.57 177.22 2kvs h ILE 45 N 0.00 0.99 0.00 7.19 2.04 -1.62 -2.11 117.51 124.00 2kvs h ILE 45 Ca -0.00 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2kvs h ILE 45 Cb 0.95 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 2kvs h ILE 45 CO 0.05 0.06 -0.05 -0.09 0.00 0.00 0.00 178.15 178.11 2kvs h ARG 46 N 0.33 0.00 0.00 2.37 2.43 -1.70 -2.35 114.38 115.45 2kvs h ARG 46 Ca 0.13 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2kvs h ARG 46 Cb 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2kvs h ARG 46 CO -0.09 0.05 -0.00 0.00 -1.51 0.00 0.00 179.97 178.42 2kvs h ALA 47 N 1.95 -0.00 -0.57 2.80 0.00 -1.54 -3.24 119.26 118.65 2kvs h ALA 47 Ca -0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2kvs h ALA 47 Cb 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2kvs h ALA 47 CO 0.01 -0.20 0.23 1.88 0.00 0.00 0.00 179.25 181.17 2kvs h TYR 48 N -0.61 0.82 -0.11 0.00 0.05 -1.15 -2.37 116.97 113.60 2kvs h TYR 48 Ca -0.00 -0.04 -0.04 0.00 0.05 0.00 0.00 58.73 58.70 2kvs h TYR 48 Cb 0.60 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 2kvs h TYR 48 CO 0.14 0.63 -0.13 -0.39 -1.05 0.00 0.00 178.16 177.36 2kvs h VAL 49 N 0.81 1.16 -0.01 -2.88 -1.51 -1.53 -1.75 116.25 110.55 2kvs h VAL 49 Ca 0.20 -0.70 -0.09 0.00 -1.23 0.00 0.00 66.70 64.87 2kvs h VAL 49 Cb 0.15 1.22 -0.01 0.00 -2.13 0.00 0.00 31.29 30.51 2kvs h VAL 49 CO -0.02 0.22 -0.44 0.24 -1.23 0.00 0.00 177.57 176.34 2kvs h MET 50 N 0.17 0.02 -0.01 5.19 2.86 -1.45 0.11 114.93 121.83 2kvs h MET 50 Ca 0.04 -0.01 -0.24 0.00 -2.06 0.00 0.00 59.70 57.42 2kvs h MET 50 Cb 0.34 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.01 2kvs h MET 50 CO 0.02 0.45 -0.97 1.03 1.06 0.00 0.00 176.91 178.50 2kvs h SER 51 N 0.02 0.71 0.08 1.22 0.87 -1.24 -3.38 113.55 111.82 2kvs h SER 51 Ca -0.00 -0.56 -0.27 0.00 -1.23 0.00 0.00 61.79 59.73 2kvs h SER 51 Cb 0.78 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 2kvs h SER 51 CO 0.06 1.36 -1.43 0.78 -0.53 0.00 0.00 176.83 177.06 2kvs h ASN 52 N 0.31 0.27 -3.66 6.23 2.35 -1.27 -3.46 115.58 116.36 2kvs h ASN 52 Ca -0.10 -0.79 -0.67 0.00 -0.55 0.00 0.00 56.30 54.20 2kvs h ASN 52 Cb 1.62 -0.09 -0.23 0.00 0.05 0.00 0.00 38.32 39.67 2kvs h ASN 52 CO 0.18 1.61 -0.58 -0.31 -1.65 0.00 0.00 177.43 176.68 2kvs s TYR 53 N -2.45 3.15 -0.50 1.19 2.02 0.38 -4.92 117.35 116.22 2kvs s TYR 53 Ca -0.23 -0.55 0.24 0.00 -0.37 0.00 0.00 57.07 56.16 2kvs s TYR 53 Cb 0.05 -2.31 0.29 0.00 -0.40 0.00 0.00 41.96 39.58 2kvs s TYR 53 CO 0.72 -0.43 1.32 0.00 -1.57 0.00 0.00 175.55 175.59 2kvs h THR 54 N 5.64 0.00 -1.78 -0.71 1.03 -1.84 -3.42 112.91 111.84 2kvs h THR 54 Ca -0.34 -0.71 -0.48 0.00 -0.01 0.00 0.00 66.41 64.87 2kvs h THR 54 Cb 1.15 1.36 -0.01 0.00 -1.07 0.00 0.00 68.15 69.59 2kvs h THR 54 CO 0.60 0.00 1.53 -1.81 -0.01 0.00 0.00 175.52 175.83 2kvs s ASP 55 N -4.86 4.78 0.61 0.00 1.01 -1.26 -4.82 116.67 112.13 2kvs s ASP 55 Ca 0.05 0.85 0.31 0.00 0.71 0.00 0.00 52.55 54.47 2kvs s ASP 55 Cb 0.11 -2.51 1.73 0.00 1.01 0.00 0.00 42.92 43.26 2kvs s ASP 55 CO 0.72 -2.66 2.10 0.45 0.21 0.00 0.00 175.17 175.99 2kvs h HIS 56 N 17.72 0.00 0.41 4.23 3.86 -1.99 -0.55 115.15 138.82 2kvs h HIS 56 Ca -0.25 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 58.94 2kvs h HIS 56 Cb 1.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.70 2kvs h HIS 56 CO 0.99 0.00 -0.21 1.96 0.86 0.00 0.00 177.93 181.53 2kvs h GLN 57 N 0.00 -0.55 -0.14 2.45 7.50 -1.99 -0.48 115.11 121.90 2kvs h GLN 57 Ca 0.07 0.04 -0.08 0.00 0.50 0.00 0.00 58.65 59.18 2kvs h GLN 57 Cb 0.49 0.12 -0.01 0.00 0.05 0.00 0.00 27.48 28.13 2kvs h GLN 57 CO -0.00 -0.37 -0.29 -0.07 -1.50 0.00 0.00 178.83 176.61 2kvs h LEU 58 N -0.57 0.26 0.34 1.46 3.38 -1.50 -0.85 115.31 117.83 2kvs h LEU 58 Ca -0.05 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2kvs h LEU 58 Cb 0.45 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2kvs h LEU 58 CO 0.08 0.54 -0.17 0.40 0.09 0.00 0.00 178.44 179.38 2kvs h ILE 59 N 0.23 0.64 -0.46 1.22 2.04 -1.30 -0.21 117.51 119.67 2kvs h ILE 59 Ca 0.03 -0.51 0.05 0.00 1.00 0.00 0.00 64.86 65.43 2kvs h ILE 59 Cb 0.63 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 2kvs h ILE 59 CO 0.05 0.10 0.31 -0.33 0.00 0.00 0.00 178.15 178.27 2kvs h GLU 60 N -0.76 0.41 -0.15 2.37 4.39 -1.02 0.34 114.58 120.16 2kvs h GLU 60 Ca -0.05 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 2kvs h GLU 60 Cb 0.51 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2kvs h GLU 60 CO 0.08 0.27 0.06 1.15 -1.16 0.00 0.00 179.01 179.40 2kvs h THR 61 N 0.42 1.16 0.16 1.13 2.02 -1.03 -2.95 112.91 113.83 2kvs h THR 61 Ca 0.20 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 2kvs h THR 61 Cb 0.25 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 2kvs h THR 61 CO -0.05 0.15 -0.08 0.74 0.37 0.00 0.00 175.52 176.66 2kvs h THR 62 N 0.08 0.96 -0.79 3.16 2.02 -0.13 -2.69 112.91 115.53 2kvs h THR 62 Ca 0.05 -0.88 -0.02 0.00 0.77 0.00 0.00 66.41 66.34 2kvs h THR 62 Cb 0.19 1.47 -0.04 0.00 -1.74 0.00 0.00 68.15 68.03 2kvs h THR 62 CO -0.00 0.19 0.43 -0.55 0.37 0.00 0.00 175.52 175.96 2kvs h ASN 63 N -0.67 0.98 -0.24 4.18 7.08 -1.08 -1.65 115.58 124.17 2kvs h ASN 63 Ca -0.02 -0.08 -0.10 0.00 -3.08 0.00 0.00 56.30 53.01 2kvs h ASN 63 Cb 0.49 -0.25 -0.00 0.00 -2.08 0.00 0.00 38.32 36.48 2kvs h ASN 63 CO 0.04 0.79 -0.25 -0.09 -2.08 0.00 0.00 177.43 175.83 2kvs h ARG 64 N 1.10 0.60 -0.54 4.14 2.43 -1.61 0.35 114.38 120.86 2kvs h ARG 64 Ca 0.28 -0.32 0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2kvs h ARG 64 Cb 0.02 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 2kvs h ARG 64 CO -0.05 0.92 0.30 0.00 -1.51 0.00 0.00 179.97 179.63 2kvs h ALA 65 N 0.67 0.69 -0.37 2.80 0.00 -1.11 -1.34 119.26 120.61 2kvs h ALA 65 Ca 0.04 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 2kvs h ALA 65 Cb 0.81 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2kvs h ALA 65 CO 0.06 -0.02 -0.40 0.82 0.00 0.00 0.00 179.25 179.71 2kvs h ILE 66 N 0.59 1.27 -0.90 0.00 2.04 -1.31 -3.18 117.51 116.01 2kvs h ILE 66 Ca 0.23 -1.58 0.10 0.00 1.00 0.00 0.00 64.86 64.61 2kvs h ILE 66 Cb 0.09 1.42 -0.07 0.00 -0.74 0.00 0.00 36.82 37.52 2kvs h ILE 66 CO -0.13 0.53 0.58 -1.28 0.00 0.00 0.00 178.15 177.85 2kvs h SER 67 N 0.74 0.82 -0.81 1.72 0.87 -0.46 -0.68 113.55 115.74 2kvs h SER 67 Ca 0.05 0.02 0.07 0.00 -1.23 0.00 0.00 61.79 60.70 2kvs h SER 67 Cb 1.00 -0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 62.75 2kvs h SER 67 CO 0.10 0.48 0.49 -0.07 -0.53 0.00 0.00 176.83 177.29 2kvs h LEU 68 N 0.90 0.74 -0.75 2.23 3.38 -1.24 0.23 115.31 120.81 2kvs h LEU 68 Ca 0.42 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.41 2kvs h LEU 68 Cb 0.41 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2kvs h LEU 68 CO -0.18 0.47 0.00 1.88 0.09 0.00 0.00 178.44 180.70 2kvs h TYR 69 N 0.87 0.00 0.00 1.13 0.05 -1.21 0.13 116.97 117.95 2kvs h TYR 69 Ca 0.36 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.99 2kvs h TYR 69 Cb 0.21 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.92 2kvs h TYR 69 CO -0.05 0.00 -1.38 -1.33 -1.05 0.00 0.00 178.16 174.35 2kvs n MET 70 N -2.40 0.62 -0.06 4.88 2.81 0.07 -3.91 117.12 119.12 2kvs n MET 70 Ca 0.02 0.20 -0.05 0.00 -1.81 0.00 0.00 57.70 56.07 2kvs n MET 70 Cb 0.26 -1.80 -0.02 0.00 -0.71 0.00 0.00 33.22 30.95 2kvs n MET 70 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kvs n ALA 71 N -2.37 0.47 -0.35 3.04 0.00 0.60 -4.10 120.51 117.79 2kvs n ALA 71 Ca -0.09 -0.46 0.12 0.00 0.00 0.00 0.00 53.44 53.01 2kvs n ALA 71 Cb 0.80 0.02 0.31 0.00 0.00 0.00 0.00 19.45 20.58 2kvs n ALA 71 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2kvs h ASN 72 N -0.84 0.81 -0.02 0.00 -0.73 -0.99 -0.57 115.58 113.24 2kvs h ASN 72 Ca 0.00 0.09 0.02 0.00 1.87 0.00 0.00 56.30 58.28 2kvs h ASN 72 Cb 0.53 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 39.04 2kvs h ASN 72 CO 0.00 0.31 -0.09 0.25 -0.37 0.00 0.00 177.43 177.54 2kvs h LEU 73 N 0.80 -0.26 -0.70 0.34 7.12 -1.72 0.24 115.31 121.14 2kvs h LEU 73 Ca 0.56 0.04 -0.01 0.00 0.13 0.00 0.00 57.88 58.61 2kvs h LEU 73 Cb 0.83 0.12 -0.03 0.00 -0.53 0.00 0.00 40.66 41.04 2kvs h LEU 73 CO -0.36 -0.13 0.39 -0.33 -0.13 0.00 0.00 178.44 177.88 2kvs h GLU 74 N -0.14 0.96 -0.08 1.25 4.39 -1.43 0.53 114.58 120.07 2kvs h GLU 74 Ca 0.04 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2kvs h GLU 74 Cb 0.20 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2kvs h GLU 74 CO -0.11 0.72 0.02 1.25 -1.16 0.00 0.00 179.01 179.73 2kvs h HIS 75 N 0.95 0.11 0.00 4.33 2.76 -0.65 -1.46 115.15 121.19 2kvs h HIS 75 Ca 0.25 0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 58.21 2kvs h HIS 75 Cb 0.03 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 28.92 2kvs h HIS 75 CO -0.01 0.10 -1.21 1.25 -1.30 0.00 0.00 177.93 176.77 2kvs h HIS 76 N 0.11 0.00 0.00 5.26 -0.00 0.32 -3.32 115.15 117.52 2kvs h HIS 76 Ca 0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.31 2kvs h HIS 76 Cb 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.44 2kvs h HIS 76 CO 0.00 0.81 -0.42 1.25 -0.00 0.00 0.00 177.93 179.57 2kvs h HIS 77 N 0.00 0.00 -2.18 5.26 6.17 0.99 -3.39 115.15 122.01 2kvs h HIS 77 Ca -0.12 0.00 -0.47 0.00 0.71 0.00 0.00 60.37 60.49 2kvs h HIS 77 Cb 1.73 0.00 -0.34 0.00 2.52 0.00 0.00 27.41 31.32 2kvs h HIS 77 CO 0.00 0.42 -0.78 -1.58 0.71 0.00 0.00 177.93 176.70 2kvs s HIS 78 N -3.61 0.21 -0.31 5.26 5.04 -0.64 -4.97 115.29 116.27 2kvs s HIS 78 Ca -0.00 -1.35 0.23 0.00 -1.54 0.00 0.00 55.06 52.40 2kvs s HIS 78 Cb 0.11 -0.62 -0.05 0.00 0.04 0.00 0.00 32.58 32.06 2kvs s HIS 78 CO 0.70 -0.92 0.92 1.58 -2.34 0.00 0.00 174.74 174.69 2kvs n HIS 79 N 3.85 0.53 -0.43 3.88 -0.00 -1.25 -4.77 115.22 117.03 2kvs n HIS 79 Ca 0.15 0.15 0.00 0.00 0.46 0.00 0.00 57.72 58.49 2kvs n HIS 79 Cb 0.43 -0.69 0.00 0.00 -0.12 0.00 0.00 29.99 29.61 2kvs n HIS 79 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52