#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvs n ALA 2 N 0.00 -0.93 0.00 3.04 0.00 -1.26 -5.07 120.51 116.30 2kvs n ALA 2 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2kvs n ALA 2 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.48 2kvs n ALA 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kvs n GLY 3 N -0.24 2.17 3.62 0.00 0.00 -1.26 -4.98 105.19 104.50 2kvs n GLY 3 Ca 0.01 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 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 5.92 -0.00 1.61 2.15 -1.26 -4.85 116.67 120.24 2kvs s ASP 4 Ca 0.00 1.89 0.20 0.00 0.43 0.00 0.00 52.55 55.07 2kvs s ASP 4 Cb 0.00 -2.52 0.58 0.00 -0.30 0.00 0.00 42.92 40.68 2kvs s ASP 4 CO 0.00 -1.59 1.48 -0.81 -0.17 0.00 0.00 175.17 174.09 2kvs n PRO 5 N 8.23 2.79 -3.41 4.34 -0.04 -1.26 -4.99 135.00 140.65 2kvs n PRO 5 Ca 0.24 -2.55 -0.18 0.00 -0.04 0.00 0.00 63.50 60.97 2kvs n PRO 5 Cb 0.45 -1.52 0.07 0.00 -0.04 0.00 0.00 33.50 32.46 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 1.40 -3.84 0.33 0.54 2.81 -1.26 -4.83 117.12 112.26 2kvs n MET 6 Ca 0.22 0.79 -0.18 0.00 -1.81 0.00 0.00 57.70 56.71 2kvs n MET 6 Cb 0.59 -5.58 -0.09 0.00 -0.71 0.00 0.00 33.22 27.43 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 -1.52 0.07 -0.19 2.03 1.35 -1.92 0.13 112.91 112.86 2kvs h THR 7 Ca -0.61 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.23 2kvs h THR 7 Cb 1.33 0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 67.81 2kvs h THR 7 CO 0.48 0.00 0.05 0.15 -0.25 0.00 0.00 175.52 175.95 2kvs h PHE 8 N -1.02 0.31 -0.86 4.73 3.57 -1.88 -3.26 116.94 118.53 2kvs h PHE 8 Ca -0.07 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.41 2kvs h PHE 8 Cb 0.86 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.47 2kvs h PHE 8 CO -0.20 0.41 0.57 -0.92 -2.23 0.00 0.00 178.31 175.94 2kvs h TYR 9 N 0.12 1.08 -0.27 0.41 3.20 -1.92 -2.24 116.97 117.35 2kvs h TYR 9 Ca 0.06 0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.03 2kvs h TYR 9 Cb 0.25 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 2kvs h TYR 9 CO 0.01 0.68 0.23 -0.97 -1.64 0.00 0.00 178.16 176.46 2kvs h ASN 10 N 1.16 0.00 0.00 -2.11 -1.24 -0.78 -1.28 115.58 111.33 2kvs h ASN 10 Ca 0.31 0.00 -0.31 0.00 0.71 0.00 0.00 56.30 57.01 2kvs h ASN 10 Cb -0.13 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 38.87 2kvs h ASN 10 CO -0.07 0.00 -1.71 0.33 -1.29 0.00 0.00 177.43 174.69 2kvs n PHE 11 N -4.12 0.64 0.13 0.67 7.35 -0.98 -4.43 117.46 116.72 2kvs n PHE 11 Ca 0.04 0.28 0.06 0.00 -0.76 0.00 0.00 57.45 57.06 2kvs n PHE 11 Cb 0.38 -1.05 0.53 0.00 0.35 0.00 0.00 39.48 39.69 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 -1.00 1.06 0.00 -2.13 6.09 -1.22 -0.02 117.51 120.28 2kvs h ILE 12 Ca -0.47 -0.13 -0.00 0.00 -1.37 0.00 0.00 64.86 62.89 2kvs h ILE 12 Cb 1.40 0.78 -0.00 0.00 0.47 0.00 0.00 36.82 39.47 2kvs h ILE 12 CO -0.28 0.06 -0.00 0.00 -3.07 0.00 0.00 178.15 174.85 2kvs h MET 13 N 0.27 0.00 -0.10 2.19 -0.00 -1.45 -1.56 114.93 114.27 2kvs h MET 13 Ca 0.07 0.00 0.03 0.00 -0.00 0.00 0.00 59.70 59.80 2kvs h MET 13 Cb -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.59 2kvs h MET 13 CO -0.01 0.00 0.07 0.78 -0.00 0.00 0.00 176.91 177.76 2kvs h GLY 14 N 0.31 0.00 1.57 -3.00 0.00 -1.20 0.77 103.07 101.52 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 -0.25 0.69 0.00 0.00 0.00 176.54 176.98 2kvs n PHE 15 N -4.48 0.24 0.18 5.60 3.72 -0.59 -3.51 117.46 118.62 2kvs n PHE 15 Ca -0.01 0.07 0.12 0.00 -0.05 0.00 0.00 57.45 57.58 2kvs n PHE 15 Cb 0.19 -0.52 0.03 0.00 -0.94 0.00 0.00 39.48 38.23 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 0.00 -0.89 -1.08 5.75 -0.94 -3.29 115.11 114.66 2kvs h GLN 16 Ca 0.00 0.00 0.16 0.00 -0.15 0.00 0.00 58.65 58.66 2kvs h GLN 16 Cb 0.58 0.00 -0.10 0.00 1.07 0.00 0.00 27.48 29.03 2kvs h GLN 16 CO 0.00 0.00 0.48 -0.91 -2.65 0.00 0.00 178.83 175.75 2kvs h ASN 17 N 0.00 0.58 -4.10 -0.69 2.35 -1.43 -3.39 115.58 108.90 2kvs h ASN 17 Ca 0.00 0.09 -0.69 0.00 -0.55 0.00 0.00 56.30 55.15 2kvs h ASN 17 Cb 0.96 -0.00 -0.26 0.00 0.05 0.00 0.00 38.32 39.07 2kvs h ASN 17 CO 0.00 0.23 -0.81 -0.62 -1.65 0.00 0.00 177.43 174.58 2kvs s ASP 18 N -5.42 3.68 -0.76 5.81 2.15 -1.26 -5.05 116.67 115.82 2kvs s ASP 18 Ca -0.12 -0.31 -0.26 0.00 0.43 0.00 0.00 52.55 52.29 2kvs s ASP 18 Cb 0.22 -0.79 -0.11 0.00 -0.30 0.00 0.00 42.92 41.94 2kvs s ASP 18 CO 0.79 0.31 2.30 0.20 -0.17 0.00 0.00 175.17 178.60 2kvs s ASN 19 N -0.53 4.26 0.19 -0.34 0.01 -1.26 -4.78 114.94 112.48 2kvs s ASN 19 Ca 0.07 0.09 0.10 0.00 -0.71 0.00 0.00 52.86 52.41 2kvs s ASN 19 Cb -0.11 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 38.96 2kvs s ASN 19 CO 0.01 -3.45 -0.19 0.42 -1.51 0.00 0.00 177.10 172.38 2kvs s THR 20 N 13.29 2.65 0.61 1.60 -4.23 -1.26 -5.02 115.64 123.28 2kvs s THR 20 Ca 0.88 -1.89 0.30 0.00 -1.18 0.00 0.00 61.69 59.80 2kvs s THR 20 Cb -0.12 -2.28 0.36 0.00 1.34 0.00 0.00 72.50 71.79 2kvs s THR 20 CO 0.10 -0.11 2.02 -0.65 -0.54 0.00 0.00 174.62 175.44 2kvs h PRO 21 N 3.12 0.00 0.14 3.99 0.11 -1.92 -0.80 132.00 136.64 2kvs h PRO 21 Ca -0.47 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.33 2kvs h PRO 21 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2kvs h PRO 21 CO 0.50 0.00 -1.53 0.74 -0.21 0.00 0.00 178.00 177.50 2kvs h PHE 22 N 0.00 0.52 -0.35 0.65 0.04 -1.95 -3.33 116.94 112.52 2kvs h PHE 22 Ca 0.09 -0.38 0.09 0.00 2.80 0.00 0.00 57.97 60.57 2kvs h PHE 22 Cb 0.69 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.80 2kvs h PHE 22 CO 0.00 1.42 0.25 0.78 -0.60 0.00 0.00 178.31 180.16 2kvs h GLY 23 N 1.46 0.08 -0.07 -1.45 0.00 -1.21 -1.91 103.07 99.96 2kvs h GLY 23 Ca -0.25 -0.02 0.22 0.00 0.00 0.00 0.00 47.33 47.28 2kvs h GLY 23 CO 0.18 0.02 0.57 -2.22 0.00 0.00 0.00 176.54 175.08 2kvs h ILE 24 N 0.06 0.58 -0.50 2.60 1.08 -1.65 0.29 117.51 119.98 2kvs h ILE 24 Ca 0.16 -0.21 -0.02 0.00 -0.39 0.00 0.00 64.86 64.41 2kvs h ILE 24 Cb 0.58 -0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 34.22 2kvs h ILE 24 CO -0.01 0.11 0.25 0.25 -0.69 0.00 0.00 178.15 178.06 2kvs h LEU 25 N 0.61 0.64 -0.66 1.44 7.12 -1.58 -0.75 115.31 122.14 2kvs h LEU 25 Ca 0.61 -0.12 -0.00 0.00 0.13 0.00 0.00 57.88 58.50 2kvs h LEU 25 Cb 1.10 -0.16 -0.03 0.00 -0.53 0.00 0.00 40.66 41.04 2kvs h LEU 25 CO -0.45 0.57 0.40 0.00 -0.13 0.00 0.00 178.44 178.83 2kvs h ALA 26 N 1.09 0.84 -0.24 1.25 0.00 -0.59 -0.13 119.26 121.48 2kvs h ALA 26 Ca 0.17 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2kvs h ALA 26 Cb 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2kvs h ALA 26 CO -0.02 0.30 -0.23 1.49 0.00 0.00 0.00 179.25 180.80 2kvs h GLU 27 N 0.89 0.44 -0.18 0.00 4.81 -0.88 -0.28 114.58 119.39 2kvs h GLU 27 Ca 0.24 -0.15 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 2kvs h GLU 27 Cb -0.04 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 2kvs h GLU 27 CO -0.05 0.64 -0.15 1.25 -0.73 0.00 0.00 179.01 179.98 2kvs h HIS 28 N 0.40 0.49 -0.04 0.92 2.76 -0.47 -2.12 115.15 117.07 2kvs h HIS 28 Ca 0.06 -0.14 -0.09 0.00 -2.20 0.00 0.00 60.37 58.00 2kvs h HIS 28 Cb 0.62 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.46 2kvs h HIS 28 CO 0.02 0.76 -0.40 -0.39 -1.30 0.00 0.00 177.93 176.62 2kvs h VAL 29 N 0.07 1.30 0.00 5.26 -1.51 -1.02 -1.98 116.25 118.37 2kvs h VAL 29 Ca 0.03 -1.43 -0.01 0.00 -1.23 0.00 0.00 66.70 64.06 2kvs h VAL 29 Cb 0.67 1.71 -0.00 0.00 -2.13 0.00 0.00 31.29 31.54 2kvs h VAL 29 CO 0.04 0.42 -0.04 -1.28 -1.23 0.00 0.00 177.57 175.47 2kvs h SER 30 N 0.08 0.00 1.55 4.19 0.87 -0.88 -1.35 113.55 118.01 2kvs h SER 30 Ca 0.01 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2kvs h SER 30 Cb 0.75 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.70 2kvs h SER 30 CO 0.06 0.04 -0.12 -0.08 -0.53 0.00 0.00 176.83 176.20 2kvs h GLU 31 N 0.00 0.00 -0.02 2.24 4.57 -0.66 -3.30 114.58 117.41 2kvs h GLU 31 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2kvs h GLU 31 Cb 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 2kvs h GLU 31 CO 0.01 0.12 0.00 -3.47 -1.18 0.00 0.00 179.01 174.48 2kvs n ASP 32 N -3.16 1.70 -1.10 1.04 2.03 -0.59 -4.68 116.55 111.78 2kvs n ASP 32 Ca 0.02 -1.35 0.00 0.00 0.52 0.00 0.00 54.79 53.98 2kvs n ASP 32 Cb 0.50 -0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 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 0.45 0.77 0.11 -0.67 2.85 -0.71 -4.00 118.16 116.96 2kvs n LYS 33 Ca 0.05 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.08 2kvs n LYS 33 Cb 0.21 -1.12 -0.15 0.00 -0.65 0.00 0.00 35.03 33.32 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 1.95 -0.01 -3.08 0.58 0.00 -1.87 -3.45 119.26 113.38 2kvs h ALA 34 Ca 0.00 -0.98 -0.66 0.00 0.00 0.00 0.00 54.91 53.28 2kvs h ALA 34 Cb 0.77 0.26 -0.35 0.00 0.00 0.00 0.00 17.79 18.47 2kvs h ALA 34 CO 0.00 0.86 -0.86 -0.06 0.00 0.00 0.00 179.25 179.19 2kvs s PHE 35 N -2.60 2.67 -1.05 0.00 0.08 -1.26 -5.06 117.98 110.77 2kvs s PHE 35 Ca -0.11 -1.56 -0.23 0.00 0.12 0.00 0.00 56.93 55.15 2kvs s PHE 35 Cb 0.05 -1.86 -0.06 0.00 -0.57 0.00 0.00 43.02 40.58 2kvs s PHE 35 CO 0.91 -0.77 1.92 -1.25 -0.10 0.00 0.00 175.22 175.93 2kvs s PRO 36 N 1.28 2.59 0.00 0.24 0.04 -1.26 -4.85 135.00 133.04 2kvs s PRO 36 Ca 0.04 -0.77 0.00 0.00 0.04 0.00 0.00 61.00 60.31 2kvs s PRO 36 Cb -0.13 -5.17 0.00 0.00 0.04 0.00 0.00 34.50 29.24 2kvs s PRO 36 CO -0.12 -3.61 0.21 0.54 0.04 0.00 0.00 177.00 174.06 2kvs n ARG 37 N 8.57 0.00 -0.19 4.56 5.12 -1.26 -4.90 116.66 128.56 2kvs n ARG 37 Ca 0.42 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.34 2kvs n ARG 37 Cb 0.47 -0.66 0.00 0.00 -1.16 0.00 0.00 32.46 31.11 2kvs n ARG 37 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 2kvs n LEU 38 N -0.38 0.00 -0.26 0.55 -0.00 -1.26 -4.95 117.00 110.70 2kvs n LEU 38 Ca 0.00 -0.66 0.03 0.00 -0.00 0.00 0.00 56.01 55.38 2kvs n LEU 38 Cb 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 43.42 43.54 2kvs n LEU 38 CO 0.00 0.63 0.59 -0.62 -0.00 0.00 0.00 177.39 177.99 2kvs n GLU 39 N 0.00 1.32 0.00 1.47 4.71 -1.26 -3.94 120.64 122.94 2kvs n GLU 39 Ca 0.00 -0.50 0.05 0.00 -0.01 0.00 0.00 57.16 56.70 2kvs n GLU 39 Cb 0.51 -1.14 0.23 0.00 -1.01 0.00 0.00 31.44 30.03 2kvs n GLU 39 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2kvs n GLU 40 N -0.12 0.11 -4.15 3.49 4.71 -1.26 -4.56 120.64 118.86 2kvs n GLU 40 Ca 0.06 0.23 -0.34 0.00 -0.01 0.00 0.00 57.16 57.09 2kvs n GLU 40 Cb 0.13 -1.50 -0.14 0.00 -1.01 0.00 0.00 31.44 28.92 2kvs n GLU 40 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 2kvs s ARG 41 N -2.67 3.43 0.39 3.49 3.00 -1.25 -4.56 118.95 120.77 2kvs s ARG 41 Ca 0.08 -0.62 0.15 0.00 -1.00 0.00 0.00 55.73 54.35 2kvs s ARG 41 Cb 0.06 -2.93 1.01 0.00 0.00 0.00 0.00 34.95 33.10 2kvs s ARG 41 CO 0.15 -0.05 1.83 0.45 0.00 0.00 0.00 175.30 177.68 2kvs h HIS 42 N 7.63 0.67 -0.44 5.12 3.86 -1.93 -1.65 115.15 128.40 2kvs h HIS 42 Ca -0.37 0.02 0.08 0.00 -1.16 0.00 0.00 60.37 58.95 2kvs h HIS 42 Cb 1.18 -0.20 -0.07 0.00 1.06 0.00 0.00 27.41 29.37 2kvs h HIS 42 CO 0.56 0.16 -0.02 0.37 0.86 0.00 0.00 177.93 179.86 2kvs h GLN 43 N 0.48 0.09 0.00 2.45 4.15 -1.95 -2.29 115.11 118.04 2kvs h GLN 43 Ca 0.51 -0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.83 2kvs h GLN 43 Cb 1.17 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.82 2kvs h GLN 43 CO -0.23 0.06 -0.48 -0.39 -1.93 0.00 0.00 178.83 175.86 2kvs h VAL 44 N 0.09 0.84 -0.30 2.39 -1.51 -1.66 -3.25 116.25 112.85 2kvs h VAL 44 Ca 0.22 -2.11 0.01 0.00 -1.23 0.00 0.00 66.70 63.59 2kvs h VAL 44 Cb 0.33 2.36 -0.02 0.00 -2.13 0.00 0.00 31.29 31.82 2kvs h VAL 44 CO -0.38 0.47 0.17 0.40 -1.23 0.00 0.00 177.57 176.99 2kvs h ILE 45 N 0.00 1.02 -0.75 7.19 1.08 -0.99 0.13 117.51 125.19 2kvs h ILE 45 Ca -0.00 -0.12 0.12 0.00 -0.39 0.00 0.00 64.86 64.46 2kvs h ILE 45 Cb 1.32 0.64 -0.08 0.00 -3.07 0.00 0.00 36.82 35.63 2kvs h ILE 45 CO 0.06 0.06 0.34 -0.09 -0.69 0.00 0.00 178.15 177.84 2kvs h ARG 46 N 0.35 0.52 -0.06 2.37 2.43 -1.49 0.13 114.38 118.64 2kvs h ARG 46 Ca 0.12 -0.03 -0.23 0.00 -0.81 0.00 0.00 59.98 59.03 2kvs h ARG 46 Cb 0.01 -0.12 0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2kvs h ARG 46 CO -0.06 0.35 -0.85 0.00 -1.51 0.00 0.00 179.97 177.89 2kvs h ALA 47 N 1.49 0.18 -0.43 2.80 0.00 -1.63 -3.21 119.26 118.46 2kvs h ALA 47 Ca 0.39 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2kvs h ALA 47 Cb 0.51 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2kvs h ALA 47 CO -0.34 0.61 0.25 -0.92 0.00 0.00 0.00 179.25 178.86 2kvs h TYR 48 N 0.35 0.58 -0.78 0.00 3.20 0.08 -2.08 116.97 118.32 2kvs h TYR 48 Ca -0.09 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.73 2kvs h TYR 48 Cb 1.50 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 39.55 2kvs h TYR 48 CO 0.11 0.42 0.32 -0.39 -1.64 0.00 0.00 178.16 176.98 2kvs h VAL 49 N 0.57 1.26 0.00 1.81 -1.51 -0.88 -1.07 116.25 116.42 2kvs h VAL 49 Ca 0.15 -0.79 0.00 0.00 -1.23 0.00 0.00 66.70 64.83 2kvs h VAL 49 Cb 0.02 0.31 0.00 0.00 -2.13 0.00 0.00 31.29 29.49 2kvs h VAL 49 CO -0.03 0.32 0.00 0.23 -1.23 0.00 0.00 177.57 176.87 2kvs n MET 50 N -4.29 0.15 0.00 5.19 2.81 -1.06 0.33 117.12 120.25 2kvs n MET 50 Ca 0.07 0.36 0.13 0.00 -1.81 0.00 0.00 57.70 56.46 2kvs n MET 50 Cb 0.18 -1.77 0.38 0.00 -0.71 0.00 0.00 33.22 31.29 2kvs n MET 50 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2kvs n SER 51 N -2.05 1.41 0.04 7.83 2.88 -0.42 -4.63 113.62 118.68 2kvs n SER 51 Ca 0.03 -1.23 0.00 0.00 -1.33 0.00 0.00 58.87 56.34 2kvs n SER 51 Cb 0.23 0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 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 -0.17 0.07 -4.81 -3.46 3.02 -0.85 -5.08 115.26 103.98 2kvs n ASN 52 Ca 0.14 0.13 -0.36 0.00 -0.03 0.00 0.00 54.58 54.46 2kvs n ASN 52 Cb 0.38 0.06 -0.06 0.00 -0.61 0.00 0.00 39.78 39.55 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 -2.00 3.64 -0.02 3.10 2.02 0.15 -5.00 117.35 119.25 2kvs s TYR 53 Ca 0.00 1.43 -0.01 0.00 -0.37 0.00 0.00 57.07 58.12 2kvs s TYR 53 Cb 0.00 -2.66 -0.01 0.00 -0.40 0.00 0.00 41.96 38.90 2kvs s TYR 53 CO 0.00 0.30 -0.02 0.25 -1.57 0.00 0.00 175.55 174.51 2kvs n THR 54 N 0.63 0.09 -1.57 -0.71 -2.24 -1.26 -4.50 114.28 104.73 2kvs n THR 54 Ca -0.01 -0.03 -0.41 0.00 -2.27 0.00 0.00 64.05 61.33 2kvs n THR 54 Cb 0.51 -1.39 0.01 0.00 -2.10 0.00 0.00 70.33 67.36 2kvs n THR 54 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2kvs n ASP 55 N -3.01 0.70 -0.01 3.42 8.00 -1.26 -4.84 116.55 119.55 2kvs n ASP 55 Ca -0.03 0.99 -0.11 0.00 0.71 0.00 0.00 54.79 56.35 2kvs n ASP 55 Cb 0.53 -1.29 -0.05 0.00 -0.02 0.00 0.00 41.12 40.28 2kvs n ASP 55 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 2kvs h HIS 56 N 1.29 -1.03 -0.94 1.24 6.17 -2.01 -2.45 115.15 117.42 2kvs h HIS 56 Ca -0.44 0.05 0.04 0.00 0.71 0.00 0.00 60.37 60.73 2kvs h HIS 56 Cb 1.35 0.48 -0.06 0.00 2.52 0.00 0.00 27.41 31.71 2kvs h HIS 56 CO 0.41 -0.43 0.62 1.96 0.71 0.00 0.00 177.93 181.20 2kvs h GLN 57 N -0.42 1.14 -0.88 5.26 4.20 -1.98 0.27 115.11 122.69 2kvs h GLN 57 Ca 0.10 -0.07 0.04 0.00 0.06 0.00 0.00 58.65 58.78 2kvs h GLN 57 Cb 0.58 -0.26 -0.05 0.00 0.30 0.00 0.00 27.48 28.05 2kvs h GLN 57 CO -0.40 0.75 0.57 -0.07 -0.67 0.00 0.00 178.83 179.01 2kvs h LEU 58 N 1.17 0.94 0.18 1.46 3.38 -1.80 -2.12 115.31 118.52 2kvs h LEU 58 Ca 0.38 -0.00 -0.35 0.00 0.09 0.00 0.00 57.88 58.00 2kvs h LEU 58 Cb 0.04 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.59 2kvs h LEU 58 CO -0.12 0.64 -1.72 0.40 0.09 0.00 0.00 178.44 177.73 2kvs h ILE 59 N 1.09 0.95 0.10 1.22 1.08 -1.41 -3.30 117.51 117.23 2kvs h ILE 59 Ca 0.36 -2.50 0.02 0.00 -0.39 0.00 0.00 64.86 62.34 2kvs h ILE 59 Cb 0.03 2.77 -0.03 0.00 -3.07 0.00 0.00 36.82 36.52 2kvs h ILE 59 CO -0.13 0.85 -0.22 -0.08 -0.69 0.00 0.00 178.15 177.88 2kvs h GLU 60 N 0.08 -0.39 -0.45 2.37 4.81 -0.80 -0.50 114.58 119.70 2kvs h GLU 60 Ca -0.34 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.88 2kvs h GLU 60 Cb 2.08 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 31.53 2kvs h GLU 60 CO 0.17 -0.26 0.13 1.15 -0.73 0.00 0.00 179.01 179.47 2kvs h THR 61 N -0.40 1.23 -0.16 0.32 2.02 -1.59 -3.19 112.91 111.14 2kvs h THR 61 Ca 0.03 -0.76 0.02 0.00 0.77 0.00 0.00 66.41 66.47 2kvs h THR 61 Cb 0.44 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 2kvs h THR 61 CO -0.14 0.27 0.04 0.74 0.37 0.00 0.00 175.52 176.80 2kvs h THR 62 N 0.59 0.94 -0.86 3.16 2.02 -1.59 -2.78 112.91 114.39 2kvs h THR 62 Ca 0.14 -0.04 0.18 0.00 0.77 0.00 0.00 66.41 67.47 2kvs h THR 62 Cb 0.28 0.83 -0.06 0.00 -1.74 0.00 0.00 68.15 67.46 2kvs h THR 62 CO -0.00 0.02 0.57 -1.13 0.37 0.00 0.00 175.52 175.34 2kvs h ASN 63 N 0.11 0.43 0.10 4.18 -1.24 -1.08 -0.93 115.58 117.16 2kvs h ASN 63 Ca 0.07 0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.11 2kvs h ASN 63 Cb 0.05 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.06 2kvs h ASN 63 CO -0.09 0.19 -0.05 -0.09 -1.29 0.00 0.00 177.43 176.11 2kvs h ARG 64 N 0.44 -0.14 0.00 6.67 2.43 -1.52 -2.57 114.38 119.70 2kvs h ARG 64 Ca 0.44 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.62 2kvs h ARG 64 Cb 1.03 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.61 2kvs h ARG 64 CO -0.16 0.08 -0.01 0.00 -1.51 0.00 0.00 179.97 178.36 2kvs h ALA 65 N 0.54 1.13 0.13 2.80 0.00 -1.14 -2.07 119.26 120.65 2kvs h ALA 65 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2kvs h ALA 65 Cb 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2kvs h ALA 65 CO 0.02 0.01 -0.06 0.82 0.00 0.00 0.00 179.25 180.04 2kvs h ILE 66 N 0.00 0.83 -0.72 0.00 1.08 -1.14 -3.35 117.51 114.22 2kvs h ILE 66 Ca -0.00 -1.25 -0.04 0.00 -0.39 0.00 0.00 64.86 63.17 2kvs h ILE 66 Cb 0.05 1.45 -0.03 0.00 -3.07 0.00 0.00 36.82 35.22 2kvs h ILE 66 CO 0.00 0.24 0.28 -1.28 -0.69 0.00 0.00 178.15 176.69 2kvs h SER 67 N -0.91 0.98 0.24 1.72 0.87 -1.07 -3.25 113.55 112.14 2kvs h SER 67 Ca -0.02 -0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.39 2kvs h SER 67 Cb 0.52 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 2kvs h SER 67 CO 0.03 0.88 -0.32 -0.07 -0.53 0.00 0.00 176.83 176.82 2kvs h LEU 68 N 1.04 -0.90 -1.23 2.23 3.38 -1.54 0.39 115.31 118.68 2kvs h LEU 68 Ca 0.24 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2kvs h LEU 68 Cb 0.21 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2kvs h LEU 68 CO -0.02 -0.39 0.00 -1.22 0.09 0.00 0.00 178.44 176.90 2kvs n TYR 69 N -4.28 0.00 0.01 1.13 4.01 -1.24 -2.36 117.16 114.43 2kvs n TYR 69 Ca -0.07 -0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 2kvs n TYR 69 Cb 0.28 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 2kvs n TYR 69 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2kvs n MET 70 N 0.16 0.00 -0.10 -0.72 2.81 -0.91 -4.74 117.12 113.62 2kvs n MET 70 Ca 0.00 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.77 2kvs n MET 70 Cb 0.28 -0.03 -0.04 0.00 -0.71 0.00 0.00 33.22 32.72 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 0.41 -0.54 3.04 0.00 -0.37 -2.40 119.26 119.41 2kvs h ALA 71 Ca 0.00 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 2kvs h ALA 71 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2kvs h ALA 71 CO 0.00 0.24 -0.07 -0.97 0.00 0.00 0.00 179.25 178.46 2kvs h ASN 72 N 0.35 0.97 0.42 0.00 -0.73 -1.39 -0.66 115.58 114.55 2kvs h ASN 72 Ca 0.08 -0.30 -0.01 0.00 1.87 0.00 0.00 56.30 57.94 2kvs h ASN 72 Cb 0.57 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.87 2kvs h ASN 72 CO 0.03 1.06 -0.44 0.25 -0.37 0.00 0.00 177.43 177.96 2kvs h LEU 73 N 0.89 -1.22 -1.71 0.34 7.12 -1.45 -1.15 115.31 118.13 2kvs h LEU 73 Ca 0.15 0.10 -0.04 0.00 0.13 0.00 0.00 57.88 58.22 2kvs h LEU 73 Cb 0.61 0.41 -0.01 0.00 -0.53 0.00 0.00 40.66 41.14 2kvs h LEU 73 CO 0.04 -0.59 -0.17 1.05 -0.13 0.00 0.00 178.44 178.63 2kvs h GLU 74 N -0.88 0.00 -0.70 1.25 4.11 -1.41 -2.13 114.58 114.81 2kvs h GLU 74 Ca -0.04 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.34 2kvs h GLU 74 Cb 0.79 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 2kvs h GLU 74 CO -0.08 0.17 0.24 1.25 0.07 0.00 0.00 179.01 180.67 2kvs h HIS 75 N 0.00 1.11 -0.07 2.06 2.76 -0.59 -2.12 115.15 118.29 2kvs h HIS 75 Ca -0.00 -0.10 -0.07 0.00 -2.20 0.00 0.00 60.37 58.00 2kvs h HIS 75 Cb 0.42 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 2kvs h HIS 75 CO 0.00 0.88 -0.28 0.45 -1.30 0.00 0.00 177.93 177.68 2kvs h HIS 76 N 1.02 0.13 -0.60 5.26 3.86 -0.58 -2.33 115.15 121.93 2kvs h HIS 76 Ca 0.23 -0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.46 2kvs h HIS 76 Cb 0.27 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.67 2kvs h HIS 76 CO 0.02 0.39 0.39 1.25 0.86 0.00 0.00 177.93 180.85 2kvs h HIS 77 N 0.11 0.65 -2.31 2.45 6.17 -0.95 -3.29 115.15 117.99 2kvs h HIS 77 Ca 0.02 0.02 -0.68 0.00 0.71 0.00 0.00 60.37 60.43 2kvs h HIS 77 Cb 0.55 -0.22 -0.17 0.00 2.52 0.00 0.00 27.41 30.10 2kvs h HIS 77 CO 0.00 0.37 0.87 -1.01 0.71 0.00 0.00 177.93 178.88 2kvs s HIS 78 N -5.59 3.04 -0.07 5.26 3.76 -0.88 -4.84 115.29 115.97 2kvs s HIS 78 Ca -0.09 -1.30 0.29 0.00 -0.15 0.00 0.00 55.06 53.81 2kvs s HIS 78 Cb 0.18 -4.32 1.38 0.00 1.11 0.00 0.00 32.58 30.93 2kvs s HIS 78 CO 0.75 -1.54 1.88 1.25 -0.85 0.00 0.00 174.74 176.24 2kvs h HIS 79 N 8.96 0.00 0.00 1.40 2.76 -1.77 -3.47 115.15 123.03 2kvs h HIS 79 Ca 0.14 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 2kvs h HIS 79 Cb 1.03 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.99 2kvs h HIS 79 CO 1.16 0.00 0.00 1.58 -1.30 0.00 0.00 177.93 179.37