#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 -0.37 0.00 -5.12 0.00 -1.26 -0.75 120.51 113.01 2kvs n ALA 2 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2kvs n ALA 2 Cb 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 19.45 17.89 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 -0.44 3.14 3.64 0.00 0.00 -1.26 -5.05 105.19 105.22 2kvs n GLY 3 Ca -0.15 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.42 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 6.61 0.43 1.61 -1.08 0.07 -4.89 116.67 119.41 2kvs s ASP 4 Ca 0.00 1.76 0.30 0.00 -0.52 0.00 0.00 52.55 54.09 2kvs s ASP 4 Cb 0.00 -2.53 1.35 0.00 -1.46 0.00 0.00 42.92 40.28 2kvs s ASP 4 CO 0.00 -1.05 1.90 -0.65 0.52 0.00 0.00 175.17 175.89 2kvs h PRO 5 N 9.73 0.00 -5.99 4.34 0.11 -1.98 0.48 132.00 138.70 2kvs h PRO 5 Ca -0.33 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.39 2kvs h PRO 5 Cb 1.14 0.00 0.09 0.00 0.11 0.00 0.00 31.00 32.34 2kvs h PRO 5 CO 0.99 0.00 -0.85 -1.33 -0.21 0.00 0.00 178.00 176.60 2kvs n MET 6 N -2.67 -4.17 0.12 1.05 2.81 -1.26 -4.77 117.12 108.24 2kvs n MET 6 Ca 0.00 0.65 -0.14 0.00 -1.81 0.00 0.00 57.70 56.40 2kvs n MET 6 Cb 0.21 -5.17 -0.07 0.00 -0.71 0.00 0.00 33.22 27.48 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 -1.77 0.19 -0.79 2.03 1.35 -2.00 -0.40 112.91 111.52 2kvs h THR 7 Ca -0.62 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.21 2kvs h THR 7 Cb 1.35 0.19 -0.04 0.00 -1.73 0.00 0.00 68.15 67.92 2kvs h THR 7 CO 0.53 0.00 0.37 0.15 -0.25 0.00 0.00 175.52 176.32 2kvs h PHE 8 N -0.63 1.14 0.47 4.73 3.57 -1.99 -2.67 116.94 121.55 2kvs h PHE 8 Ca 0.02 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 2kvs h PHE 8 Cb 0.66 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.05 2kvs h PHE 8 CO -0.35 0.83 -0.23 -0.92 -2.23 0.00 0.00 178.31 175.41 2kvs h TYR 9 N 1.13 -0.59 -0.29 0.41 3.20 -1.80 0.30 116.97 119.32 2kvs h TYR 9 Ca 0.27 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.21 2kvs h TYR 9 Cb 0.13 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 2kvs h TYR 9 CO 0.01 -0.32 0.23 -0.97 -1.64 0.00 0.00 178.16 175.47 2kvs h ASN 10 N -0.72 0.00 0.06 -2.11 -1.24 -1.07 -2.08 115.58 108.41 2kvs h ASN 10 Ca -0.06 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.94 2kvs h ASN 10 Cb 0.53 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.58 2kvs h ASN 10 CO 0.11 0.00 -0.03 0.15 -1.29 0.00 0.00 177.43 176.37 2kvs h PHE 11 N 0.00 -0.07 0.00 0.67 3.57 -1.10 -3.36 116.94 116.65 2kvs h PHE 11 Ca 0.14 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 2kvs h PHE 11 Cb 0.59 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.35 2kvs h PHE 11 CO 0.00 0.51 -0.15 0.97 -2.23 0.00 0.00 178.31 177.40 2kvs h ILE 12 N -0.91 0.57 -0.32 1.41 6.09 -0.61 -2.44 117.51 121.29 2kvs h ILE 12 Ca -0.01 -0.71 0.09 0.00 -1.37 0.00 0.00 64.86 62.87 2kvs h ILE 12 Cb 0.61 1.47 -0.01 0.00 0.47 0.00 0.00 36.82 39.36 2kvs h ILE 12 CO 0.01 0.15 0.27 0.24 -3.07 0.00 0.00 178.15 175.76 2kvs h MET 13 N 0.00 0.00 0.00 2.19 2.86 -1.53 -0.37 114.93 118.08 2kvs h MET 13 Ca -0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2kvs h MET 13 Cb 0.45 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 2kvs h MET 13 CO 0.02 0.00 -0.18 0.78 1.06 0.00 0.00 176.91 178.59 2kvs h GLY 14 N 0.00 0.00 1.86 8.32 0.00 -1.63 -2.53 103.07 109.09 2kvs h GLY 14 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.36 2kvs h GLY 14 CO -0.00 0.00 -0.66 0.74 0.00 0.00 0.00 176.54 176.62 2kvs h PHE 15 N 0.00 0.00 -0.33 5.60 -1.00 -1.25 -3.20 116.94 116.75 2kvs h PHE 15 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2kvs h PHE 15 Cb 0.34 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.90 2kvs h PHE 15 CO 0.00 0.55 0.00 0.94 -1.61 0.00 0.00 178.31 178.19 2kvs n GLN 16 N -3.19 1.93 -0.03 1.51 -0.06 -0.98 -3.85 117.38 112.71 2kvs n GLN 16 Ca 0.00 -1.42 0.02 0.00 -2.00 0.00 0.00 57.00 53.60 2kvs n GLN 16 Cb 0.76 -1.36 0.35 0.00 -4.06 0.00 0.00 30.24 25.93 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 2.52 0.53 -1.77 1.69 -0.73 -1.48 -3.44 115.58 112.90 2kvs h ASN 17 Ca 0.00 -0.05 -0.61 0.00 1.87 0.00 0.00 56.30 57.51 2kvs h ASN 17 Cb 0.57 -0.13 -0.13 0.00 0.27 0.00 0.00 38.32 38.89 2kvs h ASN 17 CO 0.00 0.47 -0.53 1.51 -0.37 0.00 0.00 177.43 178.51 2kvs s ASP 18 N -6.67 3.46 -0.66 1.15 -4.77 -1.25 -5.10 116.67 102.83 2kvs s ASP 18 Ca -0.08 -1.63 -0.27 0.00 -3.30 0.00 0.00 52.55 47.27 2kvs s ASP 18 Cb 0.17 0.41 0.03 0.00 -1.09 0.00 0.00 42.92 42.44 2kvs s ASP 18 CO 0.75 -0.84 1.20 0.20 0.70 0.00 0.00 175.17 177.18 2kvs s ASN 19 N -3.73 6.29 0.08 2.11 0.01 -1.26 -4.83 114.94 113.61 2kvs s ASN 19 Ca 0.17 -0.25 0.03 0.00 -0.71 0.00 0.00 52.86 52.10 2kvs s ASN 19 Cb 0.03 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 39.12 2kvs s ASN 19 CO 0.10 -1.62 -0.09 0.42 -1.51 0.00 0.00 177.10 174.39 2kvs s THR 20 N 5.18 0.80 0.44 1.60 -4.23 -1.26 -5.03 115.64 113.15 2kvs s THR 20 Ca 0.37 -1.56 0.12 0.00 -1.18 0.00 0.00 61.69 59.44 2kvs s THR 20 Cb -0.09 -1.24 0.29 0.00 1.34 0.00 0.00 72.50 72.81 2kvs s THR 20 CO 0.19 -0.57 2.05 1.55 -0.54 0.00 0.00 174.62 177.30 2kvs h PRO 21 N 3.68 0.37 -0.47 3.99 0.13 -1.94 -1.46 132.00 136.30 2kvs h PRO 21 Ca -0.37 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 64.61 2kvs h PRO 21 Cb 1.19 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2kvs h PRO 21 CO 0.52 0.25 -0.23 0.74 -0.23 0.00 0.00 178.00 179.05 2kvs h PHE 22 N 0.38 1.14 -0.18 1.56 -1.00 -1.91 -3.04 116.94 113.90 2kvs h PHE 22 Ca 0.17 -0.28 -0.01 0.00 2.81 0.00 0.00 57.97 60.65 2kvs h PHE 22 Cb 0.18 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.47 2kvs h PHE 22 CO -0.00 1.11 0.06 0.78 -1.61 0.00 0.00 178.31 178.65 2kvs h GLY 23 N 0.87 0.27 0.08 -1.45 0.00 -1.44 -2.69 103.07 98.71 2kvs h GLY 23 Ca 0.11 -0.11 0.17 0.00 0.00 0.00 0.00 47.33 47.49 2kvs h GLY 23 CO 0.07 0.11 0.41 -2.22 0.00 0.00 0.00 176.54 174.91 2kvs h ILE 24 N 0.25 0.64 0.24 2.60 1.08 -1.31 0.62 117.51 121.64 2kvs h ILE 24 Ca 0.06 -0.18 -0.01 0.00 -0.39 0.00 0.00 64.86 64.34 2kvs h ILE 24 Cb 0.07 0.06 0.00 0.00 -3.07 0.00 0.00 36.82 33.88 2kvs h ILE 24 CO -0.01 0.10 -0.12 0.25 -0.69 0.00 0.00 178.15 177.69 2kvs h LEU 25 N 0.54 -0.28 -0.20 1.44 7.12 -1.61 -0.61 115.31 121.71 2kvs h LEU 25 Ca 0.49 -0.01 0.04 0.00 0.13 0.00 0.00 57.88 58.53 2kvs h LEU 25 Cb 0.78 0.07 -0.04 0.00 -0.53 0.00 0.00 40.66 40.94 2kvs h LEU 25 CO -0.42 -0.17 -0.05 0.00 -0.13 0.00 0.00 178.44 177.67 2kvs h ALA 26 N 0.40 0.14 -0.27 1.25 0.00 -1.16 -1.16 119.26 118.45 2kvs h ALA 26 Ca -0.03 0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 2kvs h ALA 26 Cb 0.27 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2kvs h ALA 26 CO 0.06 -0.48 -0.49 1.49 0.00 0.00 0.00 179.25 179.83 2kvs h GLU 27 N -0.00 0.75 -0.45 0.00 4.81 -0.95 -2.17 114.58 116.56 2kvs h GLU 27 Ca 0.10 -0.44 -0.10 0.00 -0.13 0.00 0.00 59.36 58.78 2kvs h GLU 27 Cb 0.15 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 2kvs h GLU 27 CO -0.21 1.07 -0.12 1.25 -0.73 0.00 0.00 179.01 180.26 2kvs h HIS 28 N 0.59 0.93 0.00 0.92 2.76 -0.84 0.15 115.15 119.66 2kvs h HIS 28 Ca 0.03 -0.18 -0.08 0.00 -2.20 0.00 0.00 60.37 57.93 2kvs h HIS 28 Cb 1.06 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.78 2kvs h HIS 28 CO 0.06 0.91 -0.40 -0.39 -1.30 0.00 0.00 177.93 176.80 2kvs h VAL 29 N 0.75 0.89 -0.29 5.26 -1.51 -1.21 -0.11 116.25 120.04 2kvs h VAL 29 Ca 0.12 -1.65 -0.14 0.00 -1.23 0.00 0.00 66.70 63.81 2kvs h VAL 29 Cb 0.63 2.01 -0.01 0.00 -2.13 0.00 0.00 31.29 31.79 2kvs h VAL 29 CO 0.04 0.40 -0.38 -1.28 -1.23 0.00 0.00 177.57 175.12 2kvs h SER 30 N 0.00 0.70 -0.11 4.19 0.87 -0.81 -3.04 113.55 115.35 2kvs h SER 30 Ca -0.00 -0.30 -0.11 0.00 -1.23 0.00 0.00 61.79 60.14 2kvs h SER 30 Cb 0.98 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 2kvs h SER 30 CO 0.05 1.00 -0.27 -0.08 -0.53 0.00 0.00 176.83 177.00 2kvs h GLU 31 N 0.55 0.57 -7.30 2.24 4.81 -0.36 -3.46 114.58 111.63 2kvs h GLU 31 Ca 0.05 -0.23 -0.48 0.00 -0.13 0.00 0.00 59.36 58.57 2kvs h GLU 31 Cb 0.90 -0.03 0.16 0.00 0.63 0.00 0.00 28.75 30.42 2kvs h GLU 31 CO 0.08 0.78 0.21 0.34 -0.73 0.00 0.00 179.01 179.69 2kvs s ASP 32 N -6.80 2.96 0.32 1.04 2.15 -0.09 -4.91 116.67 111.34 2kvs s ASP 32 Ca -0.08 1.57 0.09 0.00 0.43 0.00 0.00 52.55 54.56 2kvs s ASP 32 Cb 0.13 -2.23 0.94 0.00 -0.30 0.00 0.00 42.92 41.46 2kvs s ASP 32 CO 0.81 -2.97 1.63 0.07 -0.17 0.00 0.00 175.17 174.53 2kvs h LYS 33 N -1.78 0.17 -3.51 4.34 2.10 -1.89 -3.48 116.57 112.52 2kvs h LYS 33 Ca -0.51 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 2kvs h LYS 33 Cb 1.29 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 2kvs h LYS 33 CO 0.52 0.12 -0.82 0.00 -2.00 0.00 0.00 179.45 177.27 2kvs n ALA 34 N -2.57 -2.18 -3.66 0.07 0.00 -1.26 -5.08 120.51 105.82 2kvs n ALA 34 Ca 0.28 0.41 -0.07 0.00 0.00 0.00 0.00 53.44 54.05 2kvs n ALA 34 Cb 0.89 -1.32 -0.08 0.00 0.00 0.00 0.00 19.45 18.94 2kvs n ALA 34 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2kvs s PHE 35 N -1.86 -0.93 0.03 0.00 5.36 -1.26 -5.14 117.98 114.18 2kvs s PHE 35 Ca 0.00 1.79 -0.30 0.00 -0.96 0.00 0.00 56.93 57.45 2kvs s PHE 35 Cb 0.00 0.48 -0.08 0.00 -0.34 0.00 0.00 43.02 43.08 2kvs s PHE 35 CO 0.00 -0.50 1.86 -2.14 -1.46 0.00 0.00 175.22 172.98 2kvs s PRO 36 N 2.14 4.15 -0.00 10.12 0.02 -1.26 -4.87 135.00 145.30 2kvs s PRO 36 Ca -0.07 2.49 0.00 0.00 0.02 0.00 0.00 61.00 63.45 2kvs s PRO 36 Cb -0.09 -4.02 -0.00 0.00 0.02 0.00 0.00 34.50 30.40 2kvs s PRO 36 CO -0.16 -0.90 -0.00 0.54 -0.33 0.00 0.00 177.00 176.15 2kvs n ARG 37 N 7.10 1.59 -2.70 5.54 1.74 -1.26 -4.99 116.66 123.68 2kvs n ARG 37 Ca 0.19 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.20 2kvs n ARG 37 Cb 0.41 -1.01 0.01 0.00 -1.02 0.00 0.00 32.46 30.85 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 -2.31 -7.19 0.13 0.55 4.32 -1.26 -4.97 117.00 106.27 2kvs n LEU 38 Ca -0.01 0.44 0.04 0.00 -0.02 0.00 0.00 56.01 56.47 2kvs n LEU 38 Cb 0.51 -3.11 0.02 0.00 -1.62 0.00 0.00 43.42 39.22 2kvs n LEU 38 CO 0.00 -2.02 0.33 -0.33 -1.22 0.00 0.00 177.39 174.16 2kvs h GLU 39 N 1.68 0.00 0.00 3.23 3.07 -2.01 -3.48 114.58 117.07 2kvs h GLU 39 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2kvs h GLU 39 Cb 0.89 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.80 2kvs h GLU 39 CO 0.18 0.36 0.00 -1.91 -1.40 0.00 0.00 179.01 176.24 2kvs n GLU 40 N -3.10 0.00 -2.07 2.33 2.13 -1.26 -4.83 120.64 113.84 2kvs n GLU 40 Ca -0.00 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.39 2kvs n GLU 40 Cb 0.72 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.40 2kvs n GLU 40 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2kvs s ARG 41 N 0.00 3.99 0.51 5.31 1.81 -1.26 -4.89 118.95 124.42 2kvs s ARG 41 Ca 0.00 1.92 0.20 0.00 -1.72 0.00 0.00 55.73 56.13 2kvs s ARG 41 Cb 0.00 -4.00 1.30 0.00 -0.45 0.00 0.00 34.95 31.79 2kvs s ARG 41 CO 0.00 -1.07 2.05 0.45 -0.68 0.00 0.00 175.30 176.05 2kvs h HIS 42 N 10.13 0.07 -0.10 -0.53 3.86 -1.97 -3.09 115.15 123.51 2kvs h HIS 42 Ca -0.36 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 58.83 2kvs h HIS 42 Cb 1.16 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.61 2kvs h HIS 42 CO 0.89 0.03 -0.02 0.37 0.86 0.00 0.00 177.93 180.06 2kvs h GLN 43 N 0.06 0.20 0.00 2.45 4.15 -1.94 -3.19 115.11 116.84 2kvs h GLN 43 Ca 0.17 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.51 2kvs h GLN 43 Cb 0.58 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.26 2kvs h GLN 43 CO -0.01 0.50 0.00 -0.39 -1.93 0.00 0.00 178.83 177.00 2kvs h VAL 44 N -0.12 0.00 -0.97 2.39 -1.51 -1.93 -3.05 116.25 111.06 2kvs h VAL 44 Ca 0.03 -0.16 0.09 0.00 -1.23 0.00 0.00 66.70 65.43 2kvs h VAL 44 Cb 0.42 1.04 -0.07 0.00 -2.13 0.00 0.00 31.29 30.56 2kvs h VAL 44 CO 0.01 0.00 0.62 0.40 -1.23 0.00 0.00 177.57 177.37 2kvs h ILE 45 N 0.00 1.00 -0.26 7.19 2.04 -1.69 -2.30 117.51 123.49 2kvs h ILE 45 Ca 0.00 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 2kvs h ILE 45 Cb 0.18 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.12 2kvs h ILE 45 CO 0.00 0.19 0.10 -0.09 0.00 0.00 0.00 178.15 178.35 2kvs h ARG 46 N 1.04 0.36 -0.77 2.37 2.43 -1.76 -2.62 114.38 115.43 2kvs h ARG 46 Ca 0.45 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.56 2kvs h ARG 46 Cb 0.33 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 2kvs h ARG 46 CO -0.20 0.31 0.43 0.00 -1.51 0.00 0.00 179.97 179.00 2kvs h ALA 47 N 1.75 0.99 0.01 2.80 0.00 -1.64 -3.07 119.26 120.11 2kvs h ALA 47 Ca 0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kvs h ALA 47 Cb 0.09 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2kvs h ALA 47 CO -0.01 0.50 -0.01 1.88 0.00 0.00 0.00 179.25 181.61 2kvs h TYR 48 N 1.07 -0.02 -0.88 0.00 0.05 -1.55 -2.02 116.97 113.61 2kvs h TYR 48 Ca 0.27 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.05 2kvs h TYR 48 Cb 0.02 0.01 -0.04 0.00 1.01 0.00 0.00 36.73 37.72 2kvs h TYR 48 CO -0.00 0.07 0.53 -0.39 -1.05 0.00 0.00 178.16 177.31 2kvs h VAL 49 N -0.10 1.24 -0.16 -2.88 -1.51 -1.59 -2.02 116.25 109.24 2kvs h VAL 49 Ca -0.00 -0.54 -0.12 0.00 -1.23 0.00 0.00 66.70 64.81 2kvs h VAL 49 Cb 0.09 0.01 -0.01 0.00 -2.13 0.00 0.00 31.29 29.25 2kvs h VAL 49 CO 0.00 0.26 -0.42 0.24 -1.23 0.00 0.00 177.57 176.42 2kvs h MET 50 N 1.22 0.37 0.00 5.19 2.86 -1.44 -0.66 114.93 122.47 2kvs h MET 50 Ca 0.32 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 2kvs h MET 50 Cb -0.04 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.62 2kvs h MET 50 CO -0.06 0.73 -0.10 1.03 1.06 0.00 0.00 176.91 179.57 2kvs h SER 51 N 0.30 0.00 0.00 1.22 0.87 -0.69 -3.37 113.55 111.88 2kvs h SER 51 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2kvs h SER 51 Cb 0.87 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 2kvs h SER 51 CO 0.07 0.10 -0.89 0.59 -0.53 0.00 0.00 176.83 176.16 2kvs n ASN 52 N -3.22 1.83 -4.84 6.23 3.02 -0.82 -5.02 115.26 112.43 2kvs n ASN 52 Ca 0.01 0.35 -0.35 0.00 -0.03 0.00 0.00 54.58 54.55 2kvs n ASN 52 Cb 0.38 -0.74 -0.06 0.00 -0.61 0.00 0.00 39.78 38.74 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 -2.74 3.48 -1.38 3.10 2.02 -0.28 -4.99 117.35 116.56 2kvs s TYR 53 Ca -0.26 0.40 0.22 0.00 -0.37 0.00 0.00 57.07 57.07 2kvs s TYR 53 Cb 0.04 -1.87 0.01 0.00 -0.40 0.00 0.00 41.96 39.74 2kvs s TYR 53 CO 0.38 0.66 1.07 0.25 -1.57 0.00 0.00 175.55 176.35 2kvs n THR 54 N 1.68 0.00 -1.80 -0.71 -2.24 -1.26 -4.55 114.28 105.40 2kvs n THR 54 Ca -0.17 -0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.09 2kvs n THR 54 Cb 0.54 0.94 -0.03 0.00 -2.10 0.00 0.00 70.33 69.68 2kvs n THR 54 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2kvs s ASP 55 N -2.80 5.93 0.22 3.42 1.11 -1.26 -4.89 116.67 118.41 2kvs s ASP 55 Ca 0.13 1.88 -0.07 0.00 0.18 0.00 0.00 52.55 54.67 2kvs s ASP 55 Cb 0.17 -2.52 0.32 0.00 1.07 0.00 0.00 42.92 41.96 2kvs s ASP 55 CO 0.73 -1.58 1.79 0.45 1.18 0.00 0.00 175.17 177.73 2kvs h HIS 56 N 12.85 0.67 -0.28 4.23 3.86 -1.99 -1.32 115.15 133.17 2kvs h HIS 56 Ca -0.40 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 58.81 2kvs h HIS 56 Cb 1.21 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 29.47 2kvs h HIS 56 CO 0.94 0.26 0.07 1.96 0.86 0.00 0.00 177.93 182.02 2kvs h GLN 57 N 0.64 0.44 -0.90 2.45 1.08 -1.97 -0.08 115.11 116.77 2kvs h GLN 57 Ca 0.34 -0.11 0.03 0.00 -1.45 0.00 0.00 58.65 57.47 2kvs h GLN 57 Cb 0.33 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.65 2kvs h GLN 57 CO -0.25 0.53 0.59 -0.07 -0.95 0.00 0.00 178.83 178.68 2kvs h LEU 58 N 0.28 0.97 0.07 1.46 3.38 -1.70 0.93 115.31 120.70 2kvs h LEU 58 Ca 0.09 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2kvs h LEU 58 Cb 0.29 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2kvs h LEU 58 CO 0.00 0.67 -0.03 0.40 0.09 0.00 0.00 178.44 179.57 2kvs h ILE 59 N 1.13 1.14 -0.34 1.22 2.04 -1.08 -3.21 117.51 118.42 2kvs h ILE 59 Ca 0.36 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 2kvs h ILE 59 Cb 0.01 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 2kvs h ILE 59 CO -0.11 0.18 0.16 -0.33 0.00 0.00 0.00 178.15 178.06 2kvs h GLU 60 N -0.42 0.46 -0.21 2.37 4.39 -0.64 0.32 114.58 120.86 2kvs h GLU 60 Ca -0.01 -0.05 0.06 0.00 0.34 0.00 0.00 59.36 59.70 2kvs h GLU 60 Cb 0.37 -0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.86 2kvs h GLU 60 CO 0.02 0.37 -0.21 1.15 -1.16 0.00 0.00 179.01 179.17 2kvs h THR 61 N 0.47 0.46 -0.03 1.13 2.02 -0.82 0.60 112.91 116.73 2kvs h THR 61 Ca 0.12 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.27 2kvs h THR 61 Cb 0.05 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 2kvs h THR 61 CO -0.02 0.00 -0.11 0.74 0.37 0.00 0.00 175.52 176.50 2kvs h THR 62 N -0.23 1.48 -0.64 3.16 2.02 -1.48 -2.82 112.91 114.40 2kvs h THR 62 Ca 0.13 -1.58 0.13 0.00 0.77 0.00 0.00 66.41 65.86 2kvs h THR 62 Cb 0.42 2.44 -0.10 0.00 -1.74 0.00 0.00 68.15 69.17 2kvs h THR 62 CO -0.34 0.43 0.05 -1.13 0.37 0.00 0.00 175.52 174.90 2kvs h ASN 63 N -0.45 -0.19 -0.33 4.18 -1.24 -0.81 -0.95 115.58 115.79 2kvs h ASN 63 Ca -0.01 0.15 -0.16 0.00 0.71 0.00 0.00 56.30 56.99 2kvs h ASN 63 Cb 0.75 0.24 -0.00 0.00 0.73 0.00 0.00 38.32 40.04 2kvs h ASN 63 CO 0.02 -0.09 -0.43 -0.09 -1.29 0.00 0.00 177.43 175.56 2kvs h ARG 64 N 0.16 0.90 -0.61 6.67 2.43 -0.97 -3.28 114.38 119.67 2kvs h ARG 64 Ca 0.34 -0.49 -0.03 0.00 -0.81 0.00 0.00 59.98 58.99 2kvs h ARG 64 Cb 0.56 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.11 2kvs h ARG 64 CO -0.51 1.14 0.28 0.00 -1.51 0.00 0.00 179.97 179.37 2kvs h ALA 65 N 0.78 0.79 -0.78 2.80 0.00 -0.99 -2.75 119.26 119.12 2kvs h ALA 65 Ca 0.05 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 54.98 2kvs h ALA 65 Cb 1.02 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 2kvs h ALA 65 CO 0.10 0.37 0.52 0.82 0.00 0.00 0.00 179.25 181.06 2kvs h ILE 66 N 0.84 0.76 -0.80 0.00 1.08 -1.28 -0.73 117.51 117.39 2kvs h ILE 66 Ca 0.21 -0.14 0.13 0.00 -0.39 0.00 0.00 64.86 64.68 2kvs h ILE 66 Cb 0.14 0.33 -0.09 0.00 -3.07 0.00 0.00 36.82 34.13 2kvs h ILE 66 CO -0.02 0.07 0.39 -1.28 -0.69 0.00 0.00 178.15 176.62 2kvs h SER 67 N 0.40 0.47 -0.33 1.72 0.87 -1.59 -1.71 113.55 113.37 2kvs h SER 67 Ca 0.39 0.09 -0.11 0.00 -1.23 0.00 0.00 61.79 60.93 2kvs h SER 67 Cb 0.94 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.90 2kvs h SER 67 CO -0.13 0.21 -0.18 -0.07 -0.53 0.00 0.00 176.83 176.14 2kvs h LEU 68 N 0.59 0.79 -2.51 2.23 3.38 -1.25 -1.83 115.31 116.70 2kvs h LEU 68 Ca 0.43 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2kvs h LEU 68 Cb 0.58 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 2kvs h LEU 68 CO -0.35 0.96 -0.02 1.88 0.09 0.00 0.00 178.44 181.01 2kvs h TYR 69 N 0.70 0.00 0.00 1.13 -1.99 -1.25 0.81 116.97 116.37 2kvs h TYR 69 Ca 0.11 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.84 2kvs h TYR 69 Cb 0.68 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.41 2kvs h TYR 69 CO 0.04 0.02 -0.32 0.52 -0.00 0.00 0.00 178.16 178.41 2kvs h MET 70 N 0.00 0.00 -0.15 4.88 2.86 -1.28 -3.35 114.93 117.89 2kvs h MET 70 Ca -0.00 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2kvs h MET 70 Cb 0.05 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 2kvs h MET 70 CO 0.00 0.00 0.08 0.00 1.06 0.00 0.00 176.91 178.05 2kvs h ALA 71 N -1.18 0.18 -0.55 6.32 0.00 -1.26 -1.99 119.26 120.78 2kvs h ALA 71 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2kvs h ALA 71 Cb 0.32 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2kvs h ALA 71 CO 0.00 -0.36 0.08 -0.97 0.00 0.00 0.00 179.25 178.00 2kvs h ASN 72 N 0.17 0.83 0.65 0.00 -0.73 -1.07 -2.01 115.58 113.43 2kvs h ASN 72 Ca 0.06 -0.18 -0.03 0.00 1.87 0.00 0.00 56.30 58.02 2kvs h ASN 72 Cb 0.00 -0.22 0.01 0.00 0.27 0.00 0.00 38.32 38.38 2kvs h ASN 72 CO -0.03 0.85 -0.31 0.25 -0.37 0.00 0.00 177.43 177.81 2kvs h LEU 73 N 0.83 -0.74 -1.28 0.34 7.12 -1.61 -1.93 115.31 118.04 2kvs h LEU 73 Ca 0.17 -0.01 0.07 0.00 0.13 0.00 0.00 57.88 58.23 2kvs h LEU 73 Cb 0.39 0.19 -0.05 0.00 -0.53 0.00 0.00 40.66 40.66 2kvs h LEU 73 CO 0.01 -0.43 0.53 1.05 -0.13 0.00 0.00 178.44 179.47 2kvs h GLU 74 N -1.05 0.84 0.00 1.25 4.11 -1.34 -1.33 114.58 117.06 2kvs h GLU 74 Ca -0.09 -0.05 -0.10 0.00 0.07 0.00 0.00 59.36 59.19 2kvs h GLU 74 Cb 0.71 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2kvs h GLU 74 CO 0.15 0.56 -0.46 0.45 0.07 0.00 0.00 179.01 179.78 2kvs h HIS 75 N 0.87 0.00 -0.47 2.06 3.86 -1.31 0.15 115.15 120.30 2kvs h HIS 75 Ca 0.35 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.54 2kvs h HIS 75 Cb 0.25 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 2kvs h HIS 75 CO -0.00 0.46 0.23 0.45 0.86 0.00 0.00 177.93 179.93 2kvs h HIS 76 N 0.00 0.63 0.13 2.45 3.86 -0.41 -2.92 115.15 118.88 2kvs h HIS 76 Ca -0.00 -0.01 -0.29 0.00 -1.16 0.00 0.00 60.37 58.90 2kvs h HIS 76 Cb 0.83 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 29.10 2kvs h HIS 76 CO 0.00 0.46 -1.41 1.25 0.86 0.00 0.00 177.93 179.10 2kvs h HIS 77 N 0.65 0.49 -3.54 2.45 6.17 -1.16 -3.42 115.15 116.79 2kvs h HIS 77 Ca 0.16 -0.36 -0.64 0.00 0.71 0.00 0.00 60.37 60.25 2kvs h HIS 77 Cb 0.06 -0.02 -0.40 0.00 2.52 0.00 0.00 27.41 29.57 2kvs h HIS 77 CO 0.00 1.34 -0.73 -1.58 0.71 0.00 0.00 177.93 177.68 2kvs s HIS 78 N -2.63 3.19 -0.12 5.26 5.04 0.44 -5.10 115.29 121.38 2kvs s HIS 78 Ca -0.07 -2.66 -0.24 0.00 -1.54 0.00 0.00 55.06 50.56 2kvs s HIS 78 Cb 0.07 -2.59 -0.03 0.00 0.04 0.00 0.00 32.58 30.07 2kvs s HIS 78 CO 0.87 -0.93 0.73 -1.01 -2.34 0.00 0.00 174.74 172.06 2kvs s HIS 79 N 1.08 3.50 0.00 3.88 3.76 -1.19 -4.39 115.29 121.93 2kvs s HIS 79 Ca 0.11 1.20 0.00 0.00 -0.15 0.00 0.00 55.06 56.22 2kvs s HIS 79 Cb -0.19 -2.87 0.00 0.00 1.11 0.00 0.00 32.58 30.63 2kvs s HIS 79 CO -0.13 -0.06 0.00 0.72 -0.85 0.00 0.00 174.74 174.43