#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kdb s VAL 2 N 0.00 1.37 -0.80 0.52 1.01 0.15 -4.01 120.40 118.65 2kdb s VAL 2 Ca 0.00 -1.41 -0.25 0.00 0.00 0.00 0.00 61.98 60.31 2kdb s VAL 2 Cb 0.00 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 2kdb s VAL 2 CO 0.00 -0.37 1.71 -0.89 0.00 0.00 0.00 175.10 175.55 2kdb s THR 3 N 1.42 3.55 -0.67 3.92 2.01 0.67 -0.83 115.64 125.70 2kdb s THR 3 Ca 0.02 -0.12 -0.18 0.00 0.31 0.00 0.00 61.69 61.72 2kdb s THR 3 Cb -0.18 -4.34 0.12 0.00 0.01 0.00 0.00 72.50 68.11 2kdb s THR 3 CO -0.12 -1.28 0.78 -0.22 -0.69 0.00 0.00 174.62 173.09 2kdb s LEU 4 N 8.06 5.50 -0.95 4.42 2.96 -0.42 -1.51 118.68 136.74 2kdb s LEU 4 Ca 0.58 -1.68 -0.23 0.00 -0.22 0.00 0.00 54.13 52.58 2kdb s LEU 4 Cb -0.08 -2.31 0.05 0.00 0.50 0.00 0.00 46.19 44.36 2kdb s LEU 4 CO 0.07 -1.05 1.37 -0.63 -1.32 0.00 0.00 176.35 174.80 2kdb s ILE 5 N 2.39 3.97 -0.68 6.68 1.01 0.06 -1.26 121.20 133.37 2kdb s ILE 5 Ca 0.16 -0.61 -0.24 0.00 0.00 0.00 0.00 60.65 59.96 2kdb s ILE 5 Cb -0.19 -5.00 0.05 0.00 0.01 0.00 0.00 42.46 37.33 2kdb s ILE 5 CO 0.02 -1.87 1.08 -0.63 0.00 0.00 0.00 174.94 173.54 2kdb s ILE 6 N 4.88 4.10 -0.18 2.92 -1.09 0.23 -0.78 121.20 131.28 2kdb s ILE 6 Ca 0.42 0.00 -0.20 0.00 -2.23 0.00 0.00 60.65 58.64 2kdb s ILE 6 Cb -0.02 -4.76 -0.03 0.00 -1.58 0.00 0.00 42.46 36.07 2kdb s ILE 6 CO -0.05 -1.57 0.61 -0.54 -1.23 0.00 0.00 174.94 172.16 2kdb s LYS 7 N 4.68 4.24 0.47 2.79 1.02 -0.55 -0.95 119.74 131.44 2kdb s LYS 7 Ca 0.28 0.60 -0.25 0.00 0.02 0.00 0.00 55.97 56.62 2kdb s LYS 7 Cb -0.13 -3.55 -0.08 0.00 -0.52 0.00 0.00 37.83 33.55 2kdb s LYS 7 CO 0.13 -0.17 1.39 0.00 -0.92 0.00 0.00 175.35 175.78 2kdb s ALA 8 N 1.69 3.15 0.13 5.17 0.00 -1.26 -1.14 121.76 129.49 2kdb s ALA 8 Ca 0.29 1.40 -0.24 0.00 0.00 0.00 0.00 51.96 53.41 2kdb s ALA 8 Cb -0.16 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 2kdb s ALA 8 CO 0.11 -1.19 1.65 -1.00 0.00 0.00 0.00 175.76 175.33 2kdb h PRO 9 N 2.16 -0.31 -0.08 0.00 0.13 -1.82 -1.44 132.00 130.65 2kdb h PRO 9 Ca -0.51 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2kdb h PRO 9 Cb 1.27 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2kdb h PRO 9 CO 0.60 -0.20 0.00 0.09 -0.23 0.00 0.00 178.00 178.26 2kdb n ASN 10 N -5.34 1.85 -1.91 1.44 4.13 -1.26 -4.93 115.26 109.23 2kdb n ASN 10 Ca -0.04 -1.65 -0.16 0.00 1.68 0.00 0.00 54.58 54.41 2kdb n ASN 10 Cb 0.26 -0.04 -0.00 0.00 -1.54 0.00 0.00 39.78 38.46 2kdb n ASN 10 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 2kdb n GLN 11 N 0.44 -1.73 -0.00 3.52 -0.06 -0.54 -4.94 117.38 114.07 2kdb n GLN 11 Ca 0.18 0.76 -0.12 0.00 -2.00 0.00 0.00 57.00 55.81 2kdb n GLN 11 Cb 0.40 -5.15 -0.07 0.00 -4.06 0.00 0.00 30.24 21.36 2kdb n GLN 11 CO 0.00 0.00 0.00 -0.22 -0.20 0.00 0.00 177.06 176.64 2kdb h LYS 12 N -0.20 0.09 -6.65 3.69 3.64 -1.92 -3.43 116.57 111.78 2kdb h LYS 12 Ca -0.38 -0.02 -0.46 0.00 -1.27 0.00 0.00 60.65 58.52 2kdb h LYS 12 Cb 1.28 -0.01 0.03 0.00 -0.41 0.00 0.00 32.23 33.11 2kdb h LYS 12 CO 0.44 0.25 -0.12 0.71 -2.27 0.00 0.00 179.45 178.46 2kdb s TYR 13 N -5.45 3.20 0.92 1.91 1.51 -1.26 -5.12 117.35 113.07 2kdb s TYR 13 Ca -0.14 0.17 -0.16 0.00 -1.01 0.00 0.00 57.07 55.94 2kdb s TYR 13 Cb 0.05 -2.28 0.22 0.00 -0.11 0.00 0.00 41.96 39.84 2kdb s TYR 13 CO 0.68 -0.32 1.07 -1.13 -1.11 0.00 0.00 175.55 174.73 2kdb n SER 14 N -2.03 -0.68 -4.56 2.29 3.41 -1.26 -4.30 113.62 106.50 2kdb n SER 14 Ca 0.01 -1.28 -0.37 0.00 -0.26 0.00 0.00 58.87 56.97 2kdb n SER 14 Cb 0.58 -0.87 -0.04 0.00 -0.26 0.00 0.00 64.21 63.62 2kdb n SER 14 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2kdb s ASP 15 N -4.75 5.86 -0.45 4.04 -4.77 -1.26 -4.07 116.67 111.27 2kdb s ASP 15 Ca 0.63 -0.71 -0.28 0.00 -3.30 0.00 0.00 52.55 48.89 2kdb s ASP 15 Cb -0.03 -2.56 -0.01 0.00 -1.09 0.00 0.00 42.92 39.23 2kdb s ASP 15 CO 0.46 -2.05 1.64 -1.10 0.70 0.00 0.00 175.17 174.82 2kdb s GLN 16 N 6.03 3.25 -0.91 2.11 -1.52 -0.12 -4.76 119.66 123.74 2kdb s GLN 16 Ca 0.53 0.96 -0.24 0.00 -1.95 0.00 0.00 55.36 54.66 2kdb s GLN 16 Cb -0.06 -4.18 0.05 0.00 -0.22 0.00 0.00 33.01 28.60 2kdb s GLN 16 CO 0.03 -1.97 1.37 0.95 -0.25 0.00 0.00 175.29 175.42 2kdb s THR 17 N 6.81 3.88 -0.60 -0.19 -4.23 -1.26 -0.60 115.64 119.45 2kdb s THR 17 Ca 0.68 -0.34 -0.21 0.00 -1.18 0.00 0.00 61.69 60.63 2kdb s THR 17 Cb -0.16 -4.99 0.07 0.00 1.34 0.00 0.00 72.50 68.76 2kdb s THR 17 CO 0.29 -1.89 0.82 -0.63 -0.54 0.00 0.00 174.62 172.68 2kdb s ILE 18 N 5.17 4.58 -0.13 2.99 -1.09 -0.39 -4.82 121.20 127.50 2kdb s ILE 18 Ca 0.41 -0.50 -0.29 0.00 -2.23 0.00 0.00 60.65 58.04 2kdb s ILE 18 Cb -0.04 -4.54 -0.04 0.00 -1.58 0.00 0.00 42.46 36.26 2kdb s ILE 18 CO -0.00 -1.20 1.60 -0.94 -1.23 0.00 0.00 174.94 173.16 2kdb s SER 19 N 3.39 6.59 0.00 3.58 1.04 -1.26 -1.30 113.70 125.74 2kdb s SER 19 Ca 0.19 1.94 0.00 0.00 0.48 0.00 0.00 55.95 58.56 2kdb s SER 19 Cb -0.19 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.40 2kdb s SER 19 CO 0.10 -1.03 0.00 0.00 0.98 0.00 0.00 173.24 173.29 2kdb s PHE 21 N -3.66 0.94 -0.54 0.00 0.08 -1.26 -0.67 117.98 112.87 2kdb s PHE 21 Ca 0.00 -0.47 0.24 0.00 0.12 0.00 0.00 56.93 56.83 2kdb s PHE 21 Cb 0.00 -0.55 0.94 0.00 -0.57 0.00 0.00 43.02 42.85 2kdb s PHE 21 CO 0.00 -0.01 1.73 1.28 -0.10 0.00 0.00 175.22 178.12 2kdb n LEU 22 N 1.42 0.71 0.25 -0.37 4.77 -1.26 -3.75 117.00 118.78 2kdb n LEU 22 Ca -0.22 0.64 0.10 0.00 -0.03 0.00 0.00 56.01 56.51 2kdb n LEU 22 Cb 0.54 -0.51 0.66 0.00 -2.33 0.00 0.00 43.42 41.78 2kdb n LEU 22 CO 0.21 -0.47 0.96 0.78 -1.33 0.00 0.00 177.39 177.54 2kdb h ASN 23 N 0.00 0.00 -2.28 -1.43 2.35 -1.98 -2.97 115.58 109.26 2kdb h ASN 23 Ca 0.00 0.00 -0.43 0.00 -0.55 0.00 0.00 56.30 55.32 2kdb h ASN 23 Cb 0.46 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.87 2kdb h ASN 23 CO 0.00 0.13 -0.09 0.26 -1.65 0.00 0.00 177.43 176.08 2kdb s TRP 24 N -4.40 2.87 0.81 1.19 0.51 -1.25 -4.96 118.94 113.71 2kdb s TRP 24 Ca -0.03 -0.08 -0.12 0.00 -2.12 0.00 0.00 56.10 53.74 2kdb s TRP 24 Cb 0.14 -2.64 0.07 0.00 -0.81 0.00 0.00 33.47 30.24 2kdb s TRP 24 CO 0.62 -0.73 1.13 0.95 -0.51 0.00 0.00 176.95 178.41 2kdb s THR 25 N -2.65 2.66 0.47 2.01 -4.23 -1.26 -2.84 115.64 109.79 2kdb s THR 25 Ca 0.56 0.21 0.14 0.00 -1.18 0.00 0.00 61.69 61.42 2kdb s THR 25 Cb -0.10 -3.08 0.23 0.00 1.34 0.00 0.00 72.50 70.89 2kdb s THR 25 CO 0.37 -0.28 2.06 0.58 -0.54 0.00 0.00 174.62 176.81 2kdb h VAL 26 N -1.07 1.07 -0.14 2.29 2.07 -1.48 -2.10 116.25 116.88 2kdb h VAL 26 Ca -0.47 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 66.71 2kdb h VAL 26 Cb 1.29 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 32.14 2kdb h VAL 26 CO 0.63 0.10 -0.01 1.23 0.02 0.00 0.00 177.57 179.53 2kdb h GLY 27 N 0.32 0.28 1.35 2.17 0.00 -1.78 0.23 103.07 105.65 2kdb h GLY 27 Ca 0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 2kdb h GLY 27 CO 0.01 0.20 0.19 0.50 0.00 0.00 0.00 176.54 177.43 2kdb h LYS 28 N -0.02 0.83 -0.24 4.80 6.56 -1.82 -1.83 116.57 124.85 2kdb h LYS 28 Ca 0.04 -0.14 -0.18 0.00 -1.06 0.00 0.00 60.65 59.30 2kdb h LYS 28 Cb 0.41 -0.14 -0.00 0.00 -0.57 0.00 0.00 32.23 31.93 2kdb h LYS 28 CO 0.01 0.71 -0.58 1.25 -2.06 0.00 0.00 179.45 178.77 2kdb h LEU 29 N 0.81 0.86 -0.69 2.94 7.12 -1.32 -2.61 115.31 122.42 2kdb h LEU 29 Ca 0.19 -0.47 -0.11 0.00 0.13 0.00 0.00 57.88 57.62 2kdb h LEU 29 Cb 0.21 -0.25 -0.02 0.00 -0.53 0.00 0.00 40.66 40.08 2kdb h LEU 29 CO -0.01 1.25 -0.13 0.50 -0.13 0.00 0.00 178.44 179.92 2kdb h LYS 30 N 0.58 0.88 -0.38 1.25 3.64 -0.16 0.62 116.57 122.99 2kdb h LYS 30 Ca 0.00 -0.31 -0.03 0.00 -1.27 0.00 0.00 60.65 59.04 2kdb h LYS 30 Cb 1.17 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 2kdb h LYS 30 CO 0.12 0.95 0.14 1.15 -2.27 0.00 0.00 179.45 179.55 2kdb h THR 31 N 0.78 1.20 -0.89 1.00 2.02 -1.40 -1.79 112.91 113.84 2kdb h THR 31 Ca 0.12 -0.63 0.06 0.00 0.77 0.00 0.00 66.41 66.73 2kdb h THR 31 Cb 0.65 0.90 -0.06 0.00 -1.74 0.00 0.00 68.15 67.90 2kdb h THR 31 CO 0.05 0.23 0.58 -0.74 0.37 0.00 0.00 175.52 176.00 2kdb h HIS 32 N 0.47 1.04 -0.30 3.16 -0.00 -0.99 -2.33 115.15 116.19 2kdb h HIS 32 Ca 0.13 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.48 2kdb h HIS 32 Cb 0.21 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.27 2kdb h HIS 32 CO 0.00 0.55 0.01 -0.07 -0.00 0.00 0.00 177.93 178.42 2kdb h LEU 33 N 1.03 0.52 -1.25 0.26 3.38 -0.63 -1.50 115.31 117.12 2kdb h LEU 33 Ca 0.38 -0.30 0.11 0.00 0.09 0.00 0.00 57.88 58.16 2kdb h LEU 33 Cb 0.17 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 2kdb h LEU 33 CO -0.14 0.70 0.57 0.28 0.09 0.00 0.00 178.44 179.94 2kdb h SER 34 N 0.33 0.73 0.65 -0.43 0.02 -0.80 0.36 113.55 114.41 2kdb h SER 34 Ca 0.09 0.03 -0.27 0.00 -0.84 0.00 0.00 61.79 60.80 2kdb h SER 34 Cb 0.43 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 2kdb h SER 34 CO 0.01 0.41 -1.38 0.78 -1.14 0.00 0.00 176.83 175.52 2kdb h ASN 35 N 0.79 0.17 0.52 3.07 2.35 -1.28 -3.37 115.58 117.83 2kdb h ASN 35 Ca 0.42 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 2kdb h ASN 35 Cb 0.52 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.83 2kdb h ASN 35 CO -0.18 1.19 -1.33 1.33 -1.65 0.00 0.00 177.43 176.79 2kdb n VAL 36 N -3.33 0.30 -2.97 2.81 0.24 -0.58 -4.89 118.33 109.90 2kdb n VAL 36 Ca -0.11 -0.45 -0.40 0.00 -2.04 0.00 0.00 64.34 61.34 2kdb n VAL 36 Cb 1.01 -0.08 -0.04 0.00 -1.47 0.00 0.00 33.84 33.26 2kdb n VAL 36 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2kdb s TYR 37 N -3.37 3.57 0.36 6.34 5.04 0.09 -4.98 117.35 124.40 2kdb s TYR 37 Ca -0.02 1.32 0.11 0.00 -2.44 0.00 0.00 57.07 56.04 2kdb s TYR 37 Cb 0.12 -2.88 0.68 0.00 0.35 0.00 0.00 41.96 40.23 2kdb s TYR 37 CO 0.83 0.04 1.82 -1.00 -1.34 0.00 0.00 175.55 175.90 2kdb h PRO 38 N 6.83 0.08 0.00 4.97 0.13 -1.90 -1.61 132.00 140.51 2kdb h PRO 38 Ca -0.40 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 64.61 2kdb h PRO 38 Cb 1.19 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2kdb h PRO 38 CO 0.76 0.42 -0.41 1.03 -0.23 0.00 0.00 178.00 179.57 2kdb h SER 39 N 0.07 0.00 -5.63 1.44 0.87 -1.94 -3.49 113.55 104.88 2kdb h SER 39 Ca 0.01 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.46 2kdb h SER 39 Cb 0.65 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.61 2kdb h SER 39 CO 0.05 0.41 -0.70 0.29 -0.53 0.00 0.00 176.83 176.35 2kdb n LYS 40 N -3.56 -2.27 -2.53 2.24 5.02 -0.61 -4.98 118.16 111.47 2kdb n LYS 40 Ca -0.00 1.94 -0.41 0.00 -2.02 0.00 0.00 58.31 57.81 2kdb n LYS 40 Cb 0.53 -4.69 -0.04 0.00 -0.02 0.00 0.00 35.03 30.81 2kdb n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2kdb s PRO 41 N -2.56 4.55 0.20 1.97 0.04 -1.26 -5.02 135.00 132.93 2kdb s PRO 41 Ca 0.28 1.67 -0.30 0.00 0.04 0.00 0.00 61.00 62.69 2kdb s PRO 41 Cb -0.06 -3.33 -0.09 0.00 0.04 0.00 0.00 34.50 31.06 2kdb s PRO 41 CO 0.80 -0.03 1.34 -0.51 0.04 0.00 0.00 177.00 178.63 2kdb s LEU 42 N 0.30 4.41 0.55 -3.56 1.43 -1.26 -4.46 118.68 116.10 2kdb s LEU 42 Ca 0.52 2.44 0.24 0.00 -1.03 0.00 0.00 54.13 56.30 2kdb s LEU 42 Cb -0.28 -3.61 1.51 0.00 0.03 0.00 0.00 46.19 43.84 2kdb s LEU 42 CO 0.32 -0.56 2.13 0.71 0.23 0.00 0.00 176.35 179.18 2kdb h THR 43 N 3.73 0.72 0.00 5.49 1.35 -1.89 -0.70 112.91 121.61 2kdb h THR 43 Ca -0.45 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.31 2kdb h THR 43 Cb 1.21 0.91 -0.01 0.00 -1.73 0.00 0.00 68.15 68.53 2kdb h THR 43 CO 0.78 0.00 -0.49 0.07 -0.25 0.00 0.00 175.52 175.63 2kdb h LYS 44 N 0.00 0.00 0.00 4.72 2.10 -2.00 -3.35 116.57 118.04 2kdb h LYS 44 Ca 0.06 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.53 2kdb h LYS 44 Cb 0.30 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.60 2kdb h LYS 44 CO -0.00 0.49 -1.26 -0.25 -2.00 0.00 0.00 179.45 176.43 2kdb n ASP 45 N -3.76 1.87 -4.77 7.07 8.00 -0.42 -4.99 116.55 119.56 2kdb n ASP 45 Ca -0.01 0.46 -0.39 0.00 0.71 0.00 0.00 54.79 55.55 2kdb n ASP 45 Cb 0.54 -0.89 -0.02 0.00 -0.02 0.00 0.00 41.12 40.73 2kdb n ASP 45 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kdb s GLN 46 N -2.41 4.19 0.24 -1.24 -2.07 -0.40 -4.97 119.66 112.99 2kdb s GLN 46 Ca -0.27 2.01 0.01 0.00 -1.82 0.00 0.00 55.36 55.29 2kdb s GLN 46 Cb 0.06 -2.87 -0.05 0.00 -1.09 0.00 0.00 33.01 29.07 2kdb s GLN 46 CO 0.46 -0.25 0.08 1.03 -1.32 0.00 0.00 175.29 175.28 2kdb s ARG 47 N -2.04 1.34 -0.16 9.60 0.52 -1.26 -4.85 118.95 122.10 2kdb s ARG 47 Ca 0.53 -1.71 0.00 0.00 -0.52 0.00 0.00 55.73 54.03 2kdb s ARG 47 Cb -0.35 -0.24 0.00 0.00 0.52 0.00 0.00 34.95 34.88 2kdb s ARG 47 CO 0.45 -0.26 -0.16 -0.51 0.02 0.00 0.00 175.30 174.84 2kdb s LEU 48 N -3.28 2.41 -0.16 2.53 1.43 -1.26 -1.25 118.68 119.10 2kdb s LEU 48 Ca 0.35 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 52.93 2kdb s LEU 48 Cb 0.07 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.74 2kdb s LEU 48 CO 0.12 0.06 -0.13 -0.69 0.23 0.00 0.00 176.35 175.94 2kdb s VAL 49 N 0.98 2.90 -0.11 -1.59 1.01 -0.39 -0.86 120.40 122.34 2kdb s VAL 49 Ca -0.02 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 2kdb s VAL 49 Cb -0.15 -2.24 0.03 0.00 0.00 0.00 0.00 36.38 34.02 2kdb s VAL 49 CO -0.03 0.50 -0.05 -0.47 0.00 0.00 0.00 175.10 175.05 2kdb s TYR 50 N 0.79 1.27 -1.98 5.22 5.04 -0.40 -0.75 117.35 126.54 2kdb s TYR 50 Ca -0.05 -0.62 0.00 0.00 -2.44 0.00 0.00 57.07 53.96 2kdb s TYR 50 Cb -0.15 -1.12 0.00 0.00 0.35 0.00 0.00 41.96 41.04 2kdb s TYR 50 CO 0.01 -0.48 0.00 0.45 -1.34 0.00 0.00 175.55 174.19 2kdb n SER 51 N 5.00 -5.28 0.00 4.32 2.88 -1.26 -1.77 113.62 117.50 2kdb n SER 51 Ca -0.11 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 2kdb n SER 51 Cb 0.50 -4.43 0.00 0.00 -0.75 0.00 0.00 64.21 59.53 2kdb n SER 51 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kdb n GLY 52 N -0.63 2.86 3.87 0.46 0.00 -1.26 -5.08 105.19 105.41 2kdb n GLY 52 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 2kdb n GLY 52 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kdb s ARG 53 N -0.39 3.78 -0.06 1.61 1.70 -0.73 -5.04 118.95 119.83 2kdb s ARG 53 Ca 0.00 0.47 -0.18 0.00 -0.47 0.00 0.00 55.73 55.55 2kdb s ARG 53 Cb 0.00 -2.39 -0.05 0.00 -0.57 0.00 0.00 34.95 31.94 2kdb s ARG 53 CO 0.00 -0.03 0.50 -1.17 -1.08 0.00 0.00 175.30 173.53 2kdb s LEU 54 N -3.82 4.36 -0.53 -1.89 1.98 -1.26 -1.28 118.68 116.25 2kdb s LEU 54 Ca 0.51 0.96 -0.12 0.00 -2.89 0.00 0.00 54.13 52.60 2kdb s LEU 54 Cb -0.10 -2.75 0.13 0.00 0.66 0.00 0.00 46.19 44.13 2kdb s LEU 54 CO 0.31 0.10 0.44 -0.76 -1.89 0.00 0.00 176.35 174.54 2kdb s LEU 55 N 0.00 5.94 0.58 -0.68 1.43 -0.04 -4.98 118.68 120.94 2kdb s LEU 55 Ca 0.27 -1.95 -0.15 0.00 -1.03 0.00 0.00 54.13 51.28 2kdb s LEU 55 Cb -0.16 -2.10 -0.05 0.00 0.03 0.00 0.00 46.19 43.91 2kdb s LEU 55 CO 0.13 -0.74 1.02 -2.16 0.23 0.00 0.00 176.35 174.83 2kdb s PRO 56 N 1.33 3.58 0.55 1.29 0.04 -1.26 -4.22 135.00 136.31 2kdb s PRO 56 Ca 0.06 1.01 0.32 0.00 0.04 0.00 0.00 61.00 62.43 2kdb s PRO 56 Cb -0.26 -2.08 1.52 0.00 0.04 0.00 0.00 34.50 33.72 2kdb s PRO 56 CO 0.00 -0.58 2.06 0.38 0.04 0.00 0.00 177.00 178.90 2kdb h ASP 57 N 0.41 0.00 1.34 6.66 2.03 -1.98 -3.09 116.42 121.78 2kdb h ASP 57 Ca -0.46 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 55.83 2kdb h ASP 57 Cb 1.20 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.70 2kdb h ASP 57 CO 0.60 0.08 -0.04 1.12 -1.03 0.00 0.00 179.24 179.97 2kdb h HIS 58 N 0.00 0.00 -2.15 4.15 2.07 -1.96 -2.96 115.15 114.31 2kdb h HIS 58 Ca -0.00 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 56.99 2kdb h HIS 58 Cb 0.39 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.31 2kdb h HIS 58 CO 0.00 0.04 -0.56 -0.48 -3.07 0.00 0.00 177.93 173.86 2kdb s LEU 59 N -6.26 3.54 0.14 6.12 0.05 -1.17 -4.99 118.68 116.11 2kdb s LEU 59 Ca 0.03 -0.45 -0.21 0.00 0.05 0.00 0.00 54.13 53.56 2kdb s LEU 59 Cb 0.08 -2.07 -0.07 0.00 -2.05 0.00 0.00 46.19 42.07 2kdb s LEU 59 CO 0.60 -0.07 0.66 -1.10 -0.55 0.00 0.00 176.35 175.89 2kdb s GLN 60 N -3.80 4.30 0.47 1.48 1.11 -1.26 -1.81 119.66 120.15 2kdb s GLN 60 Ca 0.33 0.87 0.21 0.00 0.01 0.00 0.00 55.36 56.78 2kdb s GLN 60 Cb -0.07 -3.14 1.22 0.00 -1.01 0.00 0.00 33.01 30.01 2kdb s GLN 60 CO 0.23 0.55 1.94 -0.07 0.01 0.00 0.00 175.29 177.95 2kdb h LEU 61 N 4.15 0.21 -0.85 2.90 3.38 -1.61 -2.95 115.31 120.53 2kdb h LEU 61 Ca -0.48 0.01 0.17 0.00 0.09 0.00 0.00 57.88 57.67 2kdb h LEU 61 Cb 1.21 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.82 2kdb h LEU 61 CO 0.65 0.11 0.40 0.07 0.09 0.00 0.00 178.44 179.76 2kdb h LYS 62 N 0.22 0.51 0.00 1.13 5.09 -1.79 0.23 116.57 121.97 2kdb h LYS 62 Ca 0.34 -0.03 -0.02 0.00 0.09 0.00 0.00 60.65 61.03 2kdb h LYS 62 Cb 1.02 -0.12 -0.00 0.00 0.10 0.00 0.00 32.23 33.23 2kdb h LYS 62 CO -0.07 0.34 -0.11 0.22 -2.09 0.00 0.00 179.45 177.74 2kdb h ASP 63 N 0.53 0.00 0.00 7.07 3.58 -1.85 0.17 116.42 125.91 2kdb h ASP 63 Ca 0.48 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.61 2kdb h ASP 63 Cb 0.77 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.76 2kdb h ASP 63 CO -0.42 0.11 -2.21 -0.38 -2.88 0.00 0.00 179.24 173.46 2kdb n ILE 64 N -3.47 1.21 -0.65 2.25 -0.00 -0.87 -4.68 119.36 113.15 2kdb n ILE 64 Ca -0.01 -0.60 0.08 0.00 -0.00 0.00 0.00 62.75 62.21 2kdb n ILE 64 Cb 0.26 -0.91 0.27 0.00 -0.00 0.00 0.00 39.64 39.26 2kdb n ILE 64 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 2kdb n LEU 65 N -2.88 4.02 0.30 1.39 4.77 0.02 -4.35 117.00 120.27 2kdb n LEU 65 Ca -0.33 -2.55 0.20 0.00 -0.03 0.00 0.00 56.01 53.29 2kdb n LEU 65 Cb 0.98 -0.48 0.93 0.00 -2.33 0.00 0.00 43.42 42.52 2kdb n LEU 65 CO 0.29 0.73 1.08 -0.09 -1.33 0.00 0.00 177.39 178.07 2kdb h ARG 66 N 2.73 0.00 0.44 3.23 9.65 -1.20 -2.26 114.38 126.97 2kdb h ARG 66 Ca 0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 2kdb h ARG 66 Cb 1.29 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.84 2kdb h ARG 66 CO 0.18 0.00 -0.45 0.87 2.80 0.00 0.00 179.97 183.38 2kdb h LYS 67 N 0.00 -0.87 -0.00 0.20 1.57 -1.86 -3.26 116.57 112.34 2kdb h LYS 67 Ca -0.00 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2kdb h LYS 67 Cb 0.28 0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2kdb h LYS 67 CO 0.00 -0.58 -0.49 1.04 -0.57 0.00 0.00 179.45 178.85 2kdb n GLN 68 N -5.53 3.20 0.00 3.15 1.13 -1.25 -5.04 117.38 113.04 2kdb n GLN 68 Ca -0.11 -0.07 0.00 0.00 -1.94 0.00 0.00 57.00 54.88 2kdb n GLN 68 Cb 0.43 -1.03 0.00 0.00 0.11 0.00 0.00 30.24 29.74 2kdb n GLN 68 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2kdb n ASP 69 N -1.15 0.00 0.00 1.08 8.00 -0.85 -4.28 116.55 119.35 2kdb n ASP 69 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.52 2kdb n ASP 69 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 2kdb n ASP 69 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2kdb n GLU 70 N 0.00 0.00 -3.50 -1.24 4.07 -1.26 -4.68 120.64 114.03 2kdb n GLU 70 Ca 0.00 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 56.73 2kdb n GLU 70 Cb 0.00 -0.98 -0.08 0.00 -0.06 0.00 0.00 31.44 30.32 2kdb n GLU 70 CO 0.00 0.00 0.00 1.52 -0.06 0.00 0.00 177.13 178.59 2kdb s TYR 71 N -0.97 3.38 -0.17 4.31 1.13 -1.25 -0.24 117.35 123.54 2kdb s TYR 71 Ca 0.00 0.50 -0.04 0.00 -1.41 0.00 0.00 57.07 56.12 2kdb s TYR 71 Cb 0.00 -2.41 0.08 0.00 -1.10 0.00 0.00 41.96 38.53 2kdb s TYR 71 CO 0.00 0.07 0.23 -1.01 -2.51 0.00 0.00 175.55 172.33 2kdb s HIS 72 N 1.04 -0.33 -0.56 -3.49 3.76 -0.57 -4.77 115.29 110.37 2kdb s HIS 72 Ca 0.15 0.53 -0.28 0.00 -0.15 0.00 0.00 55.06 55.31 2kdb s HIS 72 Cb -0.14 -0.23 0.02 0.00 1.11 0.00 0.00 32.58 33.34 2kdb s HIS 72 CO 0.06 -0.49 1.33 0.00 -0.85 0.00 0.00 174.74 174.79 2kdb s MET 73 N 2.36 3.41 -0.13 1.40 0.23 -1.26 -0.76 119.30 124.55 2kdb s MET 73 Ca 0.05 0.42 0.01 0.00 -1.03 0.00 0.00 55.69 55.15 2kdb s MET 73 Cb -0.14 -4.07 -0.00 0.00 -1.53 0.00 0.00 34.83 29.08 2kdb s MET 73 CO -0.10 -1.81 -0.18 0.08 -2.03 0.00 0.00 175.02 170.98 2kdb s VAL 74 N 5.59 2.52 0.05 5.16 1.01 0.04 -4.65 120.40 130.12 2kdb s VAL 74 Ca 0.50 -0.84 -0.27 0.00 0.00 0.00 0.00 61.98 61.37 2kdb s VAL 74 Cb -0.10 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 2kdb s VAL 74 CO 0.26 0.53 0.84 -1.00 0.00 0.00 0.00 175.10 175.73 2kdb s HIS 75 N 0.57 3.74 0.18 5.22 3.76 0.07 -1.48 115.29 127.36 2kdb s HIS 75 Ca -0.11 1.57 -0.26 0.00 -0.15 0.00 0.00 55.06 56.12 2kdb s HIS 75 Cb -0.16 -2.92 -0.08 0.00 1.11 0.00 0.00 32.58 30.53 2kdb s HIS 75 CO 0.04 0.21 0.81 -1.17 -0.85 0.00 0.00 174.74 173.78 2kdb s LEU 76 N 0.12 4.61 0.00 0.89 2.96 -0.30 -1.26 118.68 125.70 2kdb s LEU 76 Ca 0.42 1.71 0.24 0.00 -0.22 0.00 0.00 54.13 56.28 2kdb s LEU 76 Cb -0.21 -3.37 0.20 0.00 0.50 0.00 0.00 46.19 43.32 2kdb s LEU 76 CO 0.25 0.20 1.27 0.52 -1.32 0.00 0.00 176.35 177.27