#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 4.28 -0.77 -1.45 1.01 0.83 -4.79 120.40 119.52 2kdb s VAL 2 Ca 0.00 1.62 -0.26 0.00 0.00 0.00 0.00 61.98 63.34 2kdb s VAL 2 Cb 0.00 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.34 2kdb s VAL 2 CO 0.00 0.07 1.61 -0.89 0.00 0.00 0.00 175.10 175.88 2kdb s THR 3 N 1.59 3.58 -0.53 3.92 2.01 0.41 -1.75 115.64 124.87 2kdb s THR 3 Ca 0.56 0.03 -0.16 0.00 0.31 0.00 0.00 61.69 62.44 2kdb s THR 3 Cb -0.26 -4.47 0.13 0.00 0.01 0.00 0.00 72.50 67.91 2kdb s THR 3 CO 0.25 -1.41 0.49 -0.22 -0.69 0.00 0.00 174.62 173.05 2kdb s LEU 4 N 7.44 6.14 -0.83 4.42 2.96 -0.60 -2.11 118.68 136.10 2kdb s LEU 4 Ca 0.53 -1.78 -0.25 0.00 -0.22 0.00 0.00 54.13 52.41 2kdb s LEU 4 Cb -0.08 -2.20 -0.01 0.00 0.50 0.00 0.00 46.19 44.40 2kdb s LEU 4 CO 0.11 -0.84 1.72 -0.63 -1.32 0.00 0.00 176.35 175.38 2kdb s ILE 5 N 1.59 3.57 -0.32 6.68 1.01 0.25 -1.22 121.20 132.76 2kdb s ILE 5 Ca 0.03 -0.19 -0.26 0.00 0.00 0.00 0.00 60.65 60.24 2kdb s ILE 5 Cb -0.30 -4.35 0.01 0.00 0.01 0.00 0.00 42.46 37.83 2kdb s ILE 5 CO 0.03 -1.29 0.90 -0.63 0.00 0.00 0.00 174.94 173.95 2kdb s ILE 6 N 8.06 4.68 0.25 2.92 -1.09 -0.08 -1.18 121.20 134.76 2kdb s ILE 6 Ca 0.59 1.36 0.09 0.00 -2.23 0.00 0.00 60.65 60.46 2kdb s ILE 6 Cb -0.07 -4.26 -0.04 0.00 -1.58 0.00 0.00 42.46 36.51 2kdb s ILE 6 CO 0.05 -0.35 0.02 -0.54 -1.23 0.00 0.00 174.94 172.88 2kdb s LYS 7 N 3.23 2.37 0.51 2.79 1.02 -0.61 -1.12 119.74 127.93 2kdb s LYS 7 Ca 0.37 -1.33 -0.09 0.00 0.02 0.00 0.00 55.97 54.94 2kdb s LYS 7 Cb -0.13 -2.23 -0.05 0.00 -0.52 0.00 0.00 37.83 34.90 2kdb s LYS 7 CO 0.14 0.38 0.87 0.00 -0.92 0.00 0.00 175.35 175.82 2kdb s ALA 8 N -2.20 3.27 0.13 5.17 0.00 -1.25 -0.61 121.76 126.26 2kdb s ALA 8 Ca 0.31 -0.25 -0.15 0.00 0.00 0.00 0.00 51.96 51.87 2kdb s ALA 8 Cb -0.07 -2.81 -0.01 0.00 0.00 0.00 0.00 23.12 20.23 2kdb s ALA 8 CO 0.20 -0.35 1.60 -1.00 0.00 0.00 0.00 175.76 176.21 2kdb h PRO 9 N 0.39 0.68 0.00 0.00 0.13 -1.87 -3.42 132.00 127.92 2kdb h PRO 9 Ca -0.46 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 2kdb h PRO 9 Cb 1.19 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2kdb h PRO 9 CO 0.62 0.74 0.00 0.09 -0.23 0.00 0.00 178.00 179.22 2kdb n ASN 10 N -4.50 0.00 -1.55 1.44 4.13 -1.26 -5.04 115.26 108.49 2kdb n ASN 10 Ca -0.01 0.00 -0.02 0.00 1.68 0.00 0.00 54.58 56.24 2kdb n ASN 10 Cb 0.25 -0.16 0.03 0.00 -1.54 0.00 0.00 39.78 38.35 2kdb n ASN 10 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kdb n GLN 11 N -2.24 0.40 -0.22 3.52 10.64 -1.26 -5.01 117.38 123.21 2kdb n GLN 11 Ca 0.00 -0.54 -0.03 0.00 -1.83 0.00 0.00 57.00 54.60 2kdb n GLN 11 Cb 0.00 0.32 0.08 0.00 -0.86 0.00 0.00 30.24 29.77 2kdb n GLN 11 CO 0.00 0.00 0.00 0.87 -1.83 0.00 0.00 177.06 176.10 2kdb h LYS 12 N 0.29 0.69 -4.68 2.61 1.57 -1.96 -3.46 116.57 111.63 2kdb h LYS 12 Ca -0.24 -0.04 -0.41 0.00 -1.87 0.00 0.00 60.65 58.09 2kdb h LYS 12 Cb 1.06 -0.16 -0.12 0.00 0.08 0.00 0.00 32.23 33.10 2kdb h LYS 12 CO -0.11 0.46 -0.41 0.71 -0.57 0.00 0.00 179.45 179.53 2kdb s TYR 13 N -6.11 1.56 0.00 -1.35 2.02 -1.26 -5.09 117.35 107.11 2kdb s TYR 13 Ca -0.13 -1.56 0.00 0.00 -0.37 0.00 0.00 57.07 55.01 2kdb s TYR 13 Cb 0.15 -0.54 0.00 0.00 -0.40 0.00 0.00 41.96 41.17 2kdb s TYR 13 CO 0.76 -0.94 0.00 0.43 -1.57 0.00 0.00 175.55 174.22 2kdb n SER 14 N -1.50 -0.09 -4.34 2.29 7.64 -1.26 -4.35 113.62 112.01 2kdb n SER 14 Ca 0.06 -0.20 -0.46 0.00 1.01 0.00 0.00 58.87 59.27 2kdb n SER 14 Cb 0.62 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.81 2kdb n SER 14 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2kdb s ASP 15 N -1.19 7.06 -0.36 6.43 -4.77 -1.26 -3.93 116.67 118.65 2kdb s ASP 15 Ca 0.00 -3.16 -0.29 0.00 -3.30 0.00 0.00 52.55 45.80 2kdb s ASP 15 Cb 0.00 -2.21 -0.00 0.00 -1.09 0.00 0.00 42.92 39.62 2kdb s ASP 15 CO 0.00 -0.43 1.52 -1.10 0.70 0.00 0.00 175.17 175.86 2kdb s GLN 16 N -0.55 3.57 -0.78 2.11 1.11 -0.28 -4.78 119.66 120.06 2kdb s GLN 16 Ca 0.25 1.17 -0.25 0.00 0.01 0.00 0.00 55.36 56.53 2kdb s GLN 16 Cb -0.10 -4.06 -0.01 0.00 -1.01 0.00 0.00 33.01 27.83 2kdb s GLN 16 CO -0.08 -1.57 1.76 0.95 0.01 0.00 0.00 175.29 176.36 2kdb s THR 17 N 5.67 3.51 -0.36 -0.19 -4.23 -1.26 -0.90 115.64 117.87 2kdb s THR 17 Ca 0.67 -0.09 -0.25 0.00 -1.18 0.00 0.00 61.69 60.83 2kdb s THR 17 Cb -0.17 -4.23 0.01 0.00 1.34 0.00 0.00 72.50 69.45 2kdb s THR 17 CO 0.32 -1.18 0.90 -0.63 -0.54 0.00 0.00 174.62 173.49 2kdb s ILE 18 N 8.47 4.62 -0.38 2.99 -1.09 -0.36 -4.86 121.20 130.59 2kdb s ILE 18 Ca 0.61 1.18 -0.29 0.00 -2.23 0.00 0.00 60.65 59.93 2kdb s ILE 18 Cb -0.08 -4.31 -0.00 0.00 -1.58 0.00 0.00 42.46 36.49 2kdb s ILE 18 CO 0.09 -0.49 1.57 -0.94 -1.23 0.00 0.00 174.94 173.93 2kdb s SER 19 N 1.84 6.15 0.00 3.58 1.04 -1.26 -1.56 113.70 123.48 2kdb s SER 19 Ca 0.37 1.02 0.00 0.00 0.48 0.00 0.00 55.95 57.82 2kdb s SER 19 Cb -0.12 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.46 2kdb s SER 19 CO 0.18 -1.55 0.00 0.00 0.98 0.00 0.00 173.24 172.84 2kdb s PHE 21 N -3.81 0.78 -0.95 0.00 0.08 -1.26 -0.12 117.98 112.70 2kdb s PHE 21 Ca 0.00 -0.18 0.25 0.00 0.12 0.00 0.00 56.93 57.12 2kdb s PHE 21 Cb 0.00 -0.49 1.02 0.00 -0.57 0.00 0.00 43.02 42.98 2kdb s PHE 21 CO 0.00 -0.01 1.78 1.28 -0.10 0.00 0.00 175.22 178.17 2kdb n LEU 22 N 2.71 0.12 0.24 -0.37 4.77 -1.26 -3.46 117.00 119.74 2kdb n LEU 22 Ca -0.14 0.52 0.07 0.00 -0.03 0.00 0.00 56.01 56.42 2kdb n LEU 22 Cb 0.57 -0.48 0.57 0.00 -2.33 0.00 0.00 43.42 41.75 2kdb n LEU 22 CO 0.25 -0.11 0.98 0.78 -1.33 0.00 0.00 177.39 177.95 2kdb h ASN 23 N 0.00 0.00 -4.22 -1.43 4.21 -1.97 -2.52 115.58 109.65 2kdb h ASN 23 Ca 0.00 0.00 -0.49 0.00 1.21 0.00 0.00 56.30 57.02 2kdb h ASN 23 Cb 0.45 0.00 0.07 0.00 -1.12 0.00 0.00 38.32 37.72 2kdb h ASN 23 CO 0.00 0.10 0.34 0.26 -1.29 0.00 0.00 177.43 176.84 2kdb s TRP 24 N -4.81 3.38 0.69 1.19 0.51 -1.22 -4.94 118.94 113.74 2kdb s TRP 24 Ca -0.04 0.99 -0.11 0.00 -2.12 0.00 0.00 56.10 54.82 2kdb s TRP 24 Cb 0.16 -2.88 0.00 0.00 -0.81 0.00 0.00 33.47 29.94 2kdb s TRP 24 CO 0.68 -0.95 1.06 0.95 -0.51 0.00 0.00 176.95 178.18 2kdb s THR 25 N -3.21 3.96 0.42 2.01 -4.23 -1.26 -2.87 115.64 110.46 2kdb s THR 25 Ca 0.56 0.64 0.11 0.00 -1.18 0.00 0.00 61.69 61.82 2kdb s THR 25 Cb -0.11 -3.51 0.31 0.00 1.34 0.00 0.00 72.50 70.53 2kdb s THR 25 CO 0.50 -0.83 2.00 0.58 -0.54 0.00 0.00 174.62 176.33 2kdb h VAL 26 N -0.64 0.97 -0.28 2.29 2.07 -1.33 -1.95 116.25 117.37 2kdb h VAL 26 Ca -0.45 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 2kdb h VAL 26 Cb 1.22 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2kdb h VAL 26 CO 0.60 0.09 0.07 1.23 0.02 0.00 0.00 177.57 179.58 2kdb h GLY 27 N 0.48 0.48 1.25 2.17 0.00 -1.75 -0.15 103.07 105.54 2kdb h GLY 27 Ca 0.24 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 2kdb h GLY 27 CO -0.07 0.28 0.25 0.50 0.00 0.00 0.00 176.54 177.51 2kdb h LYS 28 N 0.29 0.96 -0.45 4.80 1.57 -1.71 -0.91 116.57 121.11 2kdb h LYS 28 Ca 0.09 -0.16 -0.10 0.00 -1.87 0.00 0.00 60.65 58.61 2kdb h LYS 28 Cb 0.28 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2kdb h LYS 28 CO 0.00 0.79 -0.09 1.25 -0.57 0.00 0.00 179.45 180.83 2kdb h LEU 29 N 0.94 0.86 -0.75 2.94 7.12 -1.27 -1.46 115.31 123.68 2kdb h LEU 29 Ca 0.22 -0.35 -0.13 0.00 0.13 0.00 0.00 57.88 57.75 2kdb h LEU 29 Cb 0.19 -0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 40.08 2kdb h LEU 29 CO -0.02 1.01 -0.47 0.50 -0.13 0.00 0.00 178.44 179.34 2kdb h LYS 30 N 0.69 0.37 -0.16 1.25 3.64 -0.68 0.79 116.57 122.46 2kdb h LYS 30 Ca 0.12 -0.20 -0.19 0.00 -1.27 0.00 0.00 60.65 59.11 2kdb h LYS 30 Cb 0.63 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2kdb h LYS 30 CO 0.04 0.76 -0.67 1.15 -2.27 0.00 0.00 179.45 178.46 2kdb h THR 31 N 0.30 1.32 -0.82 1.00 2.02 -1.15 -0.18 112.91 115.39 2kdb h THR 31 Ca 0.02 -1.94 -0.03 0.00 0.77 0.00 0.00 66.41 65.23 2kdb h THR 31 Cb 0.94 1.91 -0.04 0.00 -1.74 0.00 0.00 68.15 69.22 2kdb h THR 31 CO 0.08 0.60 0.40 -0.74 0.37 0.00 0.00 175.52 176.24 2kdb h HIS 32 N 0.45 1.17 -0.37 3.16 -0.00 -0.89 -2.31 115.15 116.36 2kdb h HIS 32 Ca -0.02 -0.05 -0.13 0.00 -0.00 0.00 0.00 60.37 60.17 2kdb h HIS 32 Cb 1.26 -0.36 -0.01 0.00 -0.00 0.00 0.00 27.41 28.29 2kdb h HIS 32 CO 0.06 0.84 -0.31 -0.07 -0.00 0.00 0.00 177.93 178.45 2kdb h LEU 33 N 1.16 0.84 -2.26 0.26 3.38 -0.70 -0.14 115.31 117.86 2kdb h LEU 33 Ca 0.28 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2kdb h LEU 33 Cb 0.10 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 2kdb h LEU 33 CO -0.04 1.08 0.04 -1.28 0.09 0.00 0.00 178.44 178.34 2kdb h SER 34 N 0.68 0.00 0.00 -0.43 0.87 -0.59 0.70 113.55 114.78 2kdb h SER 34 Ca 0.08 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.51 2kdb h SER 34 Cb 0.85 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.80 2kdb h SER 34 CO 0.07 0.00 -0.80 0.78 -0.53 0.00 0.00 176.83 176.36 2kdb h ASN 35 N 0.00 0.00 0.09 6.23 2.35 -1.17 -3.40 115.58 119.67 2kdb h ASN 35 Ca 0.02 -0.41 -0.36 0.00 -0.55 0.00 0.00 56.30 55.00 2kdb h ASN 35 Cb 0.10 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 2kdb h ASN 35 CO -0.00 1.16 -2.01 1.33 -1.65 0.00 0.00 177.43 176.26 2kdb n VAL 36 N -4.53 1.71 -2.30 2.81 0.24 -0.09 -4.94 118.33 111.24 2kdb n VAL 36 Ca -0.20 -0.57 -0.41 0.00 -2.04 0.00 0.00 64.34 61.11 2kdb n VAL 36 Cb 0.50 -1.72 -0.03 0.00 -1.47 0.00 0.00 33.84 31.11 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 -2.53 3.34 0.55 6.34 5.04 0.22 -4.92 117.35 125.38 2kdb s TYR 37 Ca -0.25 1.28 0.29 0.00 -2.44 0.00 0.00 57.07 55.95 2kdb s TYR 37 Cb 0.07 -3.52 1.46 0.00 0.35 0.00 0.00 41.96 40.32 2kdb s TYR 37 CO 0.72 -1.60 1.93 -1.00 -1.34 0.00 0.00 175.55 174.26 2kdb h PRO 38 N 5.59 0.00 0.00 4.97 0.13 -1.92 -1.24 132.00 139.53 2kdb h PRO 38 Ca -0.44 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.63 2kdb h PRO 38 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2kdb h PRO 38 CO 0.77 0.00 -0.29 1.03 -0.23 0.00 0.00 178.00 179.29 2kdb h SER 39 N 0.00 0.00 -5.65 1.44 0.87 -1.91 -3.48 113.55 104.82 2kdb h SER 39 Ca 0.30 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.62 2kdb h SER 39 Cb 1.30 0.00 0.12 0.00 -0.44 0.00 0.00 62.40 63.37 2kdb h SER 39 CO -0.00 0.29 -0.68 0.29 -0.53 0.00 0.00 176.83 176.20 2kdb n LYS 40 N -3.57 -1.77 -1.69 2.24 4.76 -0.47 -4.90 118.16 112.77 2kdb n LYS 40 Ca -0.01 0.93 -0.53 0.00 -2.87 0.00 0.00 58.31 55.83 2kdb n LYS 40 Cb 0.43 -5.29 -0.06 0.00 -1.84 0.00 0.00 35.03 28.26 2kdb n LYS 40 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2kdb n PRO 41 N -3.04 1.54 -2.75 1.97 -0.02 -1.26 -4.89 135.00 126.54 2kdb n PRO 41 Ca -0.07 0.56 -0.42 0.00 -2.02 0.00 0.00 63.50 61.55 2kdb n PRO 41 Cb 0.59 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 2kdb n PRO 41 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kdb s LEU 42 N 3.32 4.29 0.44 2.45 1.43 -1.26 -4.25 118.68 125.10 2kdb s LEU 42 Ca 0.94 1.51 0.10 0.00 -1.03 0.00 0.00 54.13 55.66 2kdb s LEU 42 Cb -0.92 -3.48 0.98 0.00 0.03 0.00 0.00 46.19 42.80 2kdb s LEU 42 CO 0.58 -0.34 2.06 0.71 0.23 0.00 0.00 176.35 179.60 2kdb h THR 43 N 4.96 1.04 -0.00 5.49 1.35 -1.90 0.56 112.91 124.39 2kdb h THR 43 Ca -0.36 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 2kdb h THR 43 Cb 1.18 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 2kdb h THR 43 CO 0.80 0.07 -0.06 2.29 -0.25 0.00 0.00 175.52 178.37 2kdb n LYS 44 N -4.48 0.90 -0.03 4.72 -0.00 -1.26 -3.76 118.16 114.25 2kdb n LYS 44 Ca 0.03 -0.29 -0.03 0.00 -0.00 0.00 0.00 58.31 58.02 2kdb n LYS 44 Cb 0.13 -1.49 -0.04 0.00 -0.00 0.00 0.00 35.03 33.63 2kdb n LYS 44 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2kdb n ASP 45 N -0.79 3.62 -4.65 -5.58 8.00 -0.64 -5.05 116.55 111.46 2kdb n ASP 45 Ca 0.17 -0.02 -0.36 0.00 0.71 0.00 0.00 54.79 55.30 2kdb n ASP 45 Cb 0.25 0.32 -0.09 0.00 -0.02 0.00 0.00 41.12 41.58 2kdb n ASP 45 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2kdb s GLN 46 N -2.13 4.04 0.20 -1.24 -1.52 0.09 -4.95 119.66 114.15 2kdb s GLN 46 Ca -0.05 -0.29 0.08 0.00 -1.95 0.00 0.00 55.36 53.14 2kdb s GLN 46 Cb 0.02 -3.40 -0.05 0.00 -0.22 0.00 0.00 33.01 29.36 2kdb s GLN 46 CO 0.19 0.16 -0.15 1.03 -0.25 0.00 0.00 175.29 176.27 2kdb s ARG 47 N 0.74 1.32 -0.36 2.91 3.00 -1.26 -4.75 118.95 120.55 2kdb s ARG 47 Ca 0.06 -1.56 -0.13 0.00 0.00 0.00 0.00 55.73 54.10 2kdb s ARG 47 Cb -0.13 -1.14 0.01 0.00 0.00 0.00 0.00 34.95 33.69 2kdb s ARG 47 CO 0.02 0.19 0.24 -0.51 0.00 0.00 0.00 175.30 175.24 2kdb s LEU 48 N -3.23 4.68 -0.31 2.53 1.02 -1.26 -1.08 118.68 121.04 2kdb s LEU 48 Ca 0.21 -0.72 -0.12 0.00 0.02 0.00 0.00 54.13 53.53 2kdb s LEU 48 Cb -0.01 -2.09 -0.03 0.00 0.02 0.00 0.00 46.19 44.07 2kdb s LEU 48 CO 0.07 -0.33 0.20 -0.69 0.02 0.00 0.00 176.35 175.62 2kdb s VAL 49 N 1.65 5.18 -0.52 -1.59 1.01 -0.10 -0.73 120.40 125.29 2kdb s VAL 49 Ca 0.05 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 61.88 2kdb s VAL 49 Cb -0.18 -3.57 0.14 0.00 0.00 0.00 0.00 36.38 32.76 2kdb s VAL 49 CO 0.09 0.12 0.37 -0.47 0.00 0.00 0.00 175.10 175.20 2kdb s TYR 50 N 1.72 3.49 -1.27 5.22 5.04 -0.03 -0.60 117.35 130.92 2kdb s TYR 50 Ca 0.06 -2.25 -0.01 0.00 -2.44 0.00 0.00 57.07 52.43 2kdb s TYR 50 Cb -0.17 -3.38 0.01 0.00 0.35 0.00 0.00 41.96 38.77 2kdb s TYR 50 CO 0.10 -0.95 0.89 0.43 -1.34 0.00 0.00 175.55 174.68 2kdb n SER 51 N 4.38 -2.15 0.00 4.32 7.64 -1.26 -2.50 113.62 124.05 2kdb n SER 51 Ca -0.01 -0.71 0.00 0.00 1.01 0.00 0.00 58.87 59.17 2kdb n SER 51 Cb 0.41 -4.61 0.00 0.00 -1.01 0.00 0.00 64.21 59.00 2kdb n SER 51 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kdb n GLY 52 N -1.41 3.00 3.92 0.23 0.00 -1.26 -5.06 105.19 104.60 2kdb n GLY 52 Ca -0.25 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 44.68 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 0.00 3.57 -0.20 1.61 1.70 -1.04 -5.05 118.95 119.54 2kdb s ARG 53 Ca 0.00 -0.04 -0.08 0.00 -0.47 0.00 0.00 55.73 55.13 2kdb s ARG 53 Cb 0.00 -2.57 -0.04 0.00 -0.57 0.00 0.00 34.95 31.76 2kdb s ARG 53 CO 0.00 0.08 0.09 -1.17 -1.08 0.00 0.00 175.30 173.22 2kdb s LEU 54 N -4.12 3.94 -0.62 -1.89 1.98 -1.26 -0.85 118.68 115.86 2kdb s LEU 54 Ca 0.44 0.11 -0.16 0.00 -2.89 0.00 0.00 54.13 51.63 2kdb s LEU 54 Cb -0.10 -2.01 0.15 0.00 0.66 0.00 0.00 46.19 44.89 2kdb s LEU 54 CO 0.36 0.15 0.57 -0.76 -1.89 0.00 0.00 176.35 174.78 2kdb s LEU 55 N 0.51 6.33 0.68 -0.68 1.43 0.09 -4.97 118.68 122.06 2kdb s LEU 55 Ca 0.05 -2.02 -0.13 0.00 -1.03 0.00 0.00 54.13 50.99 2kdb s LEU 55 Cb -0.12 -2.21 0.01 0.00 0.03 0.00 0.00 46.19 43.89 2kdb s LEU 55 CO 0.00 -0.79 1.09 -2.16 0.23 0.00 0.00 176.35 174.72 2kdb s PRO 56 N 1.24 2.82 0.56 1.29 0.04 -1.26 -4.11 135.00 135.57 2kdb s PRO 56 Ca 0.07 1.23 0.33 0.00 0.04 0.00 0.00 61.00 62.67 2kdb s PRO 56 Cb -0.25 -1.96 1.67 0.00 0.04 0.00 0.00 34.50 34.00 2kdb s PRO 56 CO -0.00 -1.22 2.12 0.38 0.04 0.00 0.00 177.00 178.33 2kdb h ASP 57 N -0.25 0.00 0.89 6.66 3.04 -1.98 -3.04 116.42 121.74 2kdb h ASP 57 Ca -0.46 0.00 -0.06 0.00 -3.24 0.00 0.00 57.03 53.27 2kdb h ASP 57 Cb 1.23 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.51 2kdb h ASP 57 CO 0.55 0.06 -0.29 1.12 -2.04 0.00 0.00 179.24 178.64 2kdb h HIS 58 N 0.00 0.00 -2.34 4.15 2.07 -1.96 -2.69 115.15 114.38 2kdb h HIS 58 Ca -0.00 0.00 -0.51 0.00 -2.85 0.00 0.00 60.37 57.01 2kdb h HIS 58 Cb 0.30 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.24 2kdb h HIS 58 CO 0.00 0.29 -0.49 -0.48 -3.07 0.00 0.00 177.93 174.18 2kdb s LEU 59 N -6.93 4.05 0.11 6.12 0.05 -1.15 -4.92 118.68 116.02 2kdb s LEU 59 Ca 0.00 -0.06 -0.25 0.00 0.05 0.00 0.00 54.13 53.88 2kdb s LEU 59 Cb 0.11 -2.61 -0.07 0.00 -2.05 0.00 0.00 46.19 41.57 2kdb s LEU 59 CO 0.66 -0.01 0.75 -1.10 -0.55 0.00 0.00 176.35 176.10 2kdb s GLN 60 N -3.65 4.50 0.38 1.48 -0.21 -1.26 -1.58 119.66 119.32 2kdb s GLN 60 Ca 0.33 1.08 0.09 0.00 0.02 0.00 0.00 55.36 56.88 2kdb s GLN 60 Cb -0.09 -3.30 0.85 0.00 1.00 0.00 0.00 33.01 31.47 2kdb s GLN 60 CO 0.26 0.47 1.95 -0.07 -2.12 0.00 0.00 175.29 175.78 2kdb h LEU 61 N 4.86 0.57 -1.34 2.90 3.38 -1.56 -2.78 115.31 121.35 2kdb h LEU 61 Ca -0.46 0.01 0.16 0.00 0.09 0.00 0.00 57.88 57.68 2kdb h LEU 61 Cb 1.21 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.78 2kdb h LEU 61 CO 0.68 0.35 0.58 0.07 0.09 0.00 0.00 178.44 180.20 2kdb h LYS 62 N 0.63 0.60 0.00 1.13 5.09 -1.71 -0.32 116.57 121.99 2kdb h LYS 62 Ca 0.33 -0.04 -0.02 0.00 0.09 0.00 0.00 60.65 61.01 2kdb h LYS 62 Cb 0.44 -0.13 -0.00 0.00 0.10 0.00 0.00 32.23 32.63 2kdb h LYS 62 CO -0.11 0.40 -0.09 0.22 -2.09 0.00 0.00 179.45 177.77 2kdb h ASP 63 N 0.62 0.00 0.05 7.07 3.58 -1.81 0.16 116.42 126.09 2kdb h ASP 63 Ca 0.46 0.00 -0.38 0.00 0.42 0.00 0.00 57.03 57.53 2kdb h ASP 63 Cb 0.83 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.83 2kdb h ASP 63 CO -0.21 0.09 -2.34 -0.38 -2.88 0.00 0.00 179.24 173.53 2kdb n ILE 64 N -4.08 1.53 0.04 2.25 -0.00 -0.80 -4.73 119.36 113.58 2kdb n ILE 64 Ca -0.03 -0.65 0.06 0.00 -0.00 0.00 0.00 62.75 62.13 2kdb n ILE 64 Cb 0.18 -1.29 0.12 0.00 -0.00 0.00 0.00 39.64 38.64 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 -3.20 2.59 0.19 1.39 4.77 -0.20 -4.47 117.00 118.07 2kdb n LEU 65 Ca -0.40 -1.66 0.07 0.00 -0.03 0.00 0.00 56.01 53.99 2kdb n LEU 65 Cb 1.03 -0.15 0.24 0.00 -2.33 0.00 0.00 43.42 42.21 2kdb n LEU 65 CO 0.33 0.61 0.67 -0.09 -1.33 0.00 0.00 177.39 177.58 2kdb h ARG 66 N 2.08 0.00 -0.71 3.23 1.12 -0.92 -0.70 114.38 118.47 2kdb h ARG 66 Ca 0.00 0.00 0.16 0.00 -1.11 0.00 0.00 59.98 59.03 2kdb h ARG 66 Cb 0.64 0.00 -0.11 0.00 -0.01 0.00 0.00 29.97 30.49 2kdb h ARG 66 CO 0.00 0.30 0.10 0.87 -3.11 0.00 0.00 179.97 178.13 2kdb h LYS 67 N 0.00 0.19 0.00 0.20 1.57 -1.82 -2.92 116.57 113.79 2kdb h LYS 67 Ca -0.00 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.59 2kdb h LYS 67 Cb 1.05 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.29 2kdb h LYS 67 CO 0.04 0.12 -1.71 1.04 -0.57 0.00 0.00 179.45 178.37 2kdb n GLN 68 N -5.23 2.01 0.00 3.15 1.13 -1.25 -5.05 117.38 112.14 2kdb n GLN 68 Ca 0.13 -0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.17 2kdb n GLN 68 Cb 0.44 -1.28 0.00 0.00 0.11 0.00 0.00 30.24 29.52 2kdb n GLN 68 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2kdb n ASP 69 N -2.33 0.00 -0.09 1.08 2.03 -0.27 -4.62 116.55 112.35 2kdb n ASP 69 Ca -0.16 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.13 2kdb n ASP 69 Cb 0.78 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.16 2kdb n ASP 69 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2kdb n GLU 70 N 0.00 -0.10 -4.77 -0.67 2.13 -1.26 -4.46 120.64 111.52 2kdb n GLU 70 Ca 0.00 0.69 -0.25 0.00 0.66 0.00 0.00 57.16 58.26 2kdb n GLU 70 Cb 0.00 -1.03 -0.16 0.00 0.27 0.00 0.00 31.44 30.52 2kdb n GLU 70 CO 0.00 0.00 0.00 1.52 -0.41 0.00 0.00 177.13 178.24 2kdb s TYR 71 N -3.87 1.62 -0.15 4.31 1.13 -1.26 -0.44 117.35 118.69 2kdb s TYR 71 Ca -0.03 -0.48 -0.11 0.00 -1.41 0.00 0.00 57.07 55.05 2kdb s TYR 71 Cb 0.02 -1.10 0.05 0.00 -1.10 0.00 0.00 41.96 39.83 2kdb s TYR 71 CO 0.14 -0.18 0.37 -1.01 -2.51 0.00 0.00 175.55 172.36 2kdb s HIS 72 N 0.13 -0.47 -0.32 -3.49 3.76 -0.90 -4.97 115.29 109.03 2kdb s HIS 72 Ca -0.05 1.08 -0.15 0.00 -0.15 0.00 0.00 55.06 55.79 2kdb s HIS 72 Cb -0.12 0.18 -0.02 0.00 1.11 0.00 0.00 32.58 33.73 2kdb s HIS 72 CO 0.02 -0.26 0.38 0.00 -0.85 0.00 0.00 174.74 174.04 2kdb s MET 73 N 0.77 3.74 -0.10 1.40 0.23 -1.26 -0.58 119.30 123.50 2kdb s MET 73 Ca -0.05 -0.22 0.03 0.00 -1.03 0.00 0.00 55.69 54.42 2kdb s MET 73 Cb -0.06 -3.75 0.01 0.00 -1.53 0.00 0.00 34.83 29.50 2kdb s MET 73 CO -0.05 -0.45 -0.18 0.08 -2.03 0.00 0.00 175.02 172.39 2kdb s VAL 74 N 2.08 1.62 -0.38 5.16 1.01 -0.33 -4.59 120.40 124.98 2kdb s VAL 74 Ca 0.14 -0.74 -0.25 0.00 0.00 0.00 0.00 61.98 61.13 2kdb s VAL 74 Cb -0.16 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 34.79 2kdb s VAL 74 CO 0.11 0.46 0.87 -1.00 0.00 0.00 0.00 175.10 175.55 2kdb s HIS 75 N 0.68 3.07 -0.83 5.22 3.76 0.23 -1.57 115.29 125.85 2kdb s HIS 75 Ca -0.13 0.63 -0.25 0.00 -0.15 0.00 0.00 55.06 55.16 2kdb s HIS 75 Cb -0.16 -3.60 0.02 0.00 1.11 0.00 0.00 32.58 29.95 2kdb s HIS 75 CO 0.03 -0.83 1.50 -1.17 -0.85 0.00 0.00 174.74 173.42 2kdb s LEU 76 N 3.37 3.29 0.00 0.89 2.96 0.22 -0.93 118.68 128.49 2kdb s LEU 76 Ca 0.35 -0.68 0.30 0.00 -0.22 0.00 0.00 54.13 53.88 2kdb s LEU 76 Cb -0.12 -2.56 1.80 0.00 0.50 0.00 0.00 46.19 45.81 2kdb s LEU 76 CO 0.19 -1.92 2.13 0.55 -1.32 0.00 0.00 176.35 175.98