#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 4.75 -0.79 0.52 1.01 -0.74 -4.60 120.40 120.54 2kdb s VAL 2 Ca 0.00 -0.61 -0.26 0.00 0.00 0.00 0.00 61.98 61.11 2kdb s VAL 2 Cb 0.00 -4.44 0.01 0.00 0.00 0.00 0.00 36.38 31.95 2kdb s VAL 2 CO 0.00 -1.03 1.56 -0.89 0.00 0.00 0.00 175.10 174.74 2kdb s THR 3 N 2.92 3.63 -0.61 3.92 2.01 0.25 -1.13 115.64 126.64 2kdb s THR 3 Ca 0.16 -0.01 -0.19 0.00 0.31 0.00 0.00 61.69 61.96 2kdb s THR 3 Cb -0.20 -4.56 0.11 0.00 0.01 0.00 0.00 72.50 67.85 2kdb s THR 3 CO 0.10 -1.50 0.72 -0.22 -0.69 0.00 0.00 174.62 173.03 2kdb s LEU 4 N 7.07 5.48 -0.87 4.42 2.96 -0.38 -2.36 118.68 134.98 2kdb s LEU 4 Ca 0.51 -1.53 -0.25 0.00 -0.22 0.00 0.00 54.13 52.64 2kdb s LEU 4 Cb -0.07 -2.30 0.01 0.00 0.50 0.00 0.00 46.19 44.33 2kdb s LEU 4 CO 0.09 -1.08 1.57 -0.63 -1.32 0.00 0.00 176.35 174.98 2kdb s ILE 5 N 2.53 3.70 -0.69 6.68 1.01 0.51 -1.35 121.20 133.59 2kdb s ILE 5 Ca 0.12 -0.27 -0.22 0.00 0.00 0.00 0.00 60.65 60.28 2kdb s ILE 5 Cb -0.23 -4.65 0.07 0.00 0.01 0.00 0.00 42.46 37.66 2kdb s ILE 5 CO 0.05 -1.57 0.99 -0.63 0.00 0.00 0.00 174.94 173.78 2kdb s ILE 6 N 6.81 4.33 0.08 2.92 -1.09 0.06 -0.90 121.20 133.40 2kdb s ILE 6 Ca 0.51 -0.44 -0.01 0.00 -2.23 0.00 0.00 60.65 58.48 2kdb s ILE 6 Cb -0.05 -4.70 -0.04 0.00 -1.58 0.00 0.00 42.46 36.08 2kdb s ILE 6 CO 0.02 -1.48 0.25 -0.54 -1.23 0.00 0.00 174.94 171.96 2kdb s LYS 7 N 4.02 3.48 0.19 2.79 1.02 -0.23 -1.37 119.74 129.65 2kdb s LYS 7 Ca 0.23 -0.35 -0.27 0.00 0.02 0.00 0.00 55.97 55.60 2kdb s LYS 7 Cb -0.16 -3.00 -0.08 0.00 -0.52 0.00 0.00 37.83 34.07 2kdb s LYS 7 CO 0.09 0.58 0.85 0.00 -0.92 0.00 0.00 175.35 175.95 2kdb s ALA 8 N -1.54 3.39 0.12 5.17 0.00 -1.24 -1.82 121.76 125.85 2kdb s ALA 8 Ca 0.36 0.48 -0.20 0.00 0.00 0.00 0.00 51.96 52.60 2kdb s ALA 8 Cb -0.13 -3.08 -0.06 0.00 0.00 0.00 0.00 23.12 19.85 2kdb s ALA 8 CO 0.27 0.24 1.74 -1.35 0.00 0.00 0.00 175.76 176.66 2kdb h PRO 9 N 4.31 0.10 0.00 0.00 0.11 -1.90 -2.32 132.00 132.30 2kdb h PRO 9 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2kdb h PRO 9 Cb 1.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2kdb h PRO 9 CO 0.67 0.07 0.00 -1.71 -0.21 0.00 0.00 178.00 176.82 2kdb n ASN 10 N -5.08 0.71 -1.57 -2.05 2.85 -1.26 -4.93 115.26 103.93 2kdb n ASN 10 Ca -0.04 0.62 -0.14 0.00 -0.11 0.00 0.00 54.58 54.91 2kdb n ASN 10 Cb 0.07 -0.79 -0.01 0.00 1.24 0.00 0.00 39.78 40.29 2kdb n ASN 10 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kdb n GLN 11 N -2.22 -1.11 -0.14 1.20 6.02 -0.88 -4.91 117.38 115.34 2kdb n GLN 11 Ca 0.04 0.68 -0.09 0.00 -0.01 0.00 0.00 57.00 57.62 2kdb n GLN 11 Cb 0.32 -4.95 -0.01 0.00 1.02 0.00 0.00 30.24 26.63 2kdb n GLN 11 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 2kdb h LYS 12 N 0.00 0.65 -6.25 -1.09 1.57 -1.92 -3.42 116.57 106.11 2kdb h LYS 12 Ca -0.33 -0.14 -0.57 0.00 -1.87 0.00 0.00 60.65 57.74 2kdb h LYS 12 Cb 1.23 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.41 2kdb h LYS 12 CO 0.39 0.65 -0.08 0.71 -0.57 0.00 0.00 179.45 180.55 2kdb s TYR 13 N -5.38 3.70 0.00 -1.35 1.51 -1.26 -5.09 117.35 109.48 2kdb s TYR 13 Ca -0.13 1.13 0.00 0.00 -1.01 0.00 0.00 57.07 57.06 2kdb s TYR 13 Cb 0.10 -2.41 0.00 0.00 -0.11 0.00 0.00 41.96 39.55 2kdb s TYR 13 CO 0.77 0.51 0.00 0.45 -1.11 0.00 0.00 175.55 176.17 2kdb n SER 14 N 1.26 0.00 -4.63 2.29 2.88 -1.26 -3.59 113.62 110.56 2kdb n SER 14 Ca -0.08 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.03 2kdb n SER 14 Cb 0.51 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.95 2kdb n SER 14 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2kdb s ASP 15 N -1.00 6.90 -0.45 -3.46 -4.77 -1.26 -4.07 116.67 108.55 2kdb s ASP 15 Ca 0.00 1.00 -0.18 0.00 -3.30 0.00 0.00 52.55 50.07 2kdb s ASP 15 Cb 0.00 -2.53 0.04 0.00 -1.09 0.00 0.00 42.92 39.34 2kdb s ASP 15 CO 0.00 -0.87 0.51 -1.10 0.70 0.00 0.00 175.17 174.41 2kdb s GLN 16 N 3.62 3.11 -0.87 2.11 1.11 -0.47 -4.91 119.66 123.35 2kdb s GLN 16 Ca 0.44 -0.83 -0.25 0.00 0.01 0.00 0.00 55.36 54.74 2kdb s GLN 16 Cb -0.12 -4.02 0.02 0.00 -1.01 0.00 0.00 33.01 27.88 2kdb s GLN 16 CO 0.16 -1.00 1.53 0.95 0.01 0.00 0.00 175.29 176.93 2kdb s THR 17 N 2.30 3.72 -0.52 -0.19 -4.23 -1.26 -0.76 115.64 114.69 2kdb s THR 17 Ca 0.13 -0.24 -0.20 0.00 -1.18 0.00 0.00 61.69 60.20 2kdb s THR 17 Cb -0.18 -4.72 0.06 0.00 1.34 0.00 0.00 72.50 69.00 2kdb s THR 17 CO 0.13 -1.64 0.69 -0.63 -0.54 0.00 0.00 174.62 172.63 2kdb s ILE 18 N 6.49 4.78 -0.03 2.99 -1.09 -0.46 -4.85 121.20 129.03 2kdb s ILE 18 Ca 0.49 -0.42 -0.30 0.00 -2.23 0.00 0.00 60.65 58.19 2kdb s ILE 18 Cb -0.05 -4.36 -0.06 0.00 -1.58 0.00 0.00 42.46 36.41 2kdb s ILE 18 CO 0.02 -0.90 1.72 -0.94 -1.23 0.00 0.00 174.94 173.61 2kdb s SER 19 N 2.82 6.62 0.10 3.58 1.04 -1.26 -1.25 113.70 125.35 2kdb s SER 19 Ca 0.17 2.34 -0.02 0.00 0.48 0.00 0.00 55.95 58.92 2kdb s SER 19 Cb -0.19 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.41 2kdb s SER 19 CO 0.12 -0.95 0.16 0.00 0.98 0.00 0.00 173.24 173.56 2kdb s PHE 21 N -5.30 0.97 -1.35 0.00 0.08 -1.26 -1.80 117.98 109.32 2kdb s PHE 21 Ca 0.07 -0.43 0.22 0.00 0.12 0.00 0.00 56.93 56.91 2kdb s PHE 21 Cb -0.01 -0.56 1.09 0.00 -0.57 0.00 0.00 43.02 42.97 2kdb s PHE 21 CO 0.05 -0.00 1.72 1.28 -0.10 0.00 0.00 175.22 178.16 2kdb n LEU 22 N 1.59 0.00 -0.12 -0.37 4.77 -1.26 -3.73 117.00 117.87 2kdb n LEU 22 Ca -0.21 0.33 -0.07 0.00 -0.03 0.00 0.00 56.01 56.03 2kdb n LEU 22 Cb 0.55 -0.33 0.01 0.00 -2.33 0.00 0.00 43.42 41.32 2kdb n LEU 22 CO 0.22 -0.09 1.01 0.78 -1.33 0.00 0.00 177.39 177.98 2kdb h ASN 23 N 0.00 0.35 -4.42 -1.43 4.21 -1.98 -3.02 115.58 109.29 2kdb h ASN 23 Ca 0.00 0.01 -0.48 0.00 1.21 0.00 0.00 56.30 57.04 2kdb h ASN 23 Cb 0.24 -0.06 0.10 0.00 -1.12 0.00 0.00 38.32 37.48 2kdb h ASN 23 CO 0.00 0.26 0.37 0.26 -1.29 0.00 0.00 177.43 177.03 2kdb s TRP 24 N -6.15 2.97 0.77 1.19 0.51 -1.24 -4.78 118.94 112.20 2kdb s TRP 24 Ca -0.13 0.98 -0.12 0.00 -2.12 0.00 0.00 56.10 54.71 2kdb s TRP 24 Cb 0.12 -3.23 0.06 0.00 -0.81 0.00 0.00 33.47 29.60 2kdb s TRP 24 CO 0.72 -1.67 1.15 0.95 -0.51 0.00 0.00 176.95 177.59 2kdb s THR 25 N -3.34 2.57 0.37 2.01 -4.23 -1.26 -1.68 115.64 110.08 2kdb s THR 25 Ca 0.61 0.19 0.04 0.00 -1.18 0.00 0.00 61.69 61.34 2kdb s THR 25 Cb -0.13 -3.18 0.25 0.00 1.34 0.00 0.00 72.50 70.79 2kdb s THR 25 CO 0.52 -0.24 2.01 0.58 -0.54 0.00 0.00 174.62 176.95 2kdb h VAL 26 N -0.92 1.15 -0.26 2.29 2.07 -1.51 -1.60 116.25 117.47 2kdb h VAL 26 Ca -0.46 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 66.66 2kdb h VAL 26 Cb 1.30 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 2kdb h VAL 26 CO 0.65 0.15 -0.12 1.23 0.02 0.00 0.00 177.57 179.51 2kdb h GLY 27 N 0.75 0.59 1.04 2.17 0.00 -1.71 0.09 103.07 106.01 2kdb h GLY 27 Ca 0.19 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 2kdb h GLY 27 CO -0.03 0.48 0.34 0.50 0.00 0.00 0.00 176.54 177.83 2kdb h LYS 28 N 0.28 1.17 -0.45 4.80 1.57 -1.78 -1.68 116.57 120.49 2kdb h LYS 28 Ca 0.06 -0.20 -0.14 0.00 -1.87 0.00 0.00 60.65 58.51 2kdb h LYS 28 Cb 0.62 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 2kdb h LYS 28 CO 0.04 0.93 -0.25 1.25 -0.57 0.00 0.00 179.45 180.85 2kdb h LEU 29 N 1.15 0.99 -0.88 2.94 7.12 -1.28 -1.91 115.31 123.44 2kdb h LEU 29 Ca 0.27 -0.41 -0.06 0.00 0.13 0.00 0.00 57.88 57.80 2kdb h LEU 29 Cb 0.18 -0.28 -0.03 0.00 -0.53 0.00 0.00 40.66 40.01 2kdb h LEU 29 CO -0.03 1.19 0.15 0.50 -0.13 0.00 0.00 178.44 180.12 2kdb h LYS 30 N 0.80 0.98 -0.40 1.25 3.64 -0.70 0.20 116.57 122.33 2kdb h LYS 30 Ca 0.09 -0.22 -0.06 0.00 -1.27 0.00 0.00 60.65 59.20 2kdb h LYS 30 Cb 0.84 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 2kdb h LYS 30 CO 0.07 0.87 0.01 1.15 -2.27 0.00 0.00 179.45 179.28 2kdb h THR 31 N 0.93 1.26 -0.35 1.00 2.02 -1.28 -1.66 112.91 114.83 2kdb h THR 31 Ca 0.20 -0.99 0.03 0.00 0.77 0.00 0.00 66.41 66.41 2kdb h THR 31 Cb 0.34 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 2kdb h THR 31 CO 0.00 0.34 0.23 -0.74 0.37 0.00 0.00 175.52 175.72 2kdb h HIS 32 N 0.53 0.35 0.10 3.16 -0.00 -0.67 -1.70 115.15 116.93 2kdb h HIS 32 Ca 0.11 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.49 2kdb h HIS 32 Cb 0.46 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 27.75 2kdb h HIS 32 CO 0.04 0.21 -0.05 -0.07 -0.00 0.00 0.00 177.93 178.06 2kdb h LEU 33 N 0.37 -0.11 -2.04 0.26 3.38 -0.36 -2.57 115.31 114.25 2kdb h LEU 33 Ca 0.14 -0.38 0.13 0.00 0.09 0.00 0.00 57.88 57.86 2kdb h LEU 33 Cb 0.11 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2kdb h LEU 33 CO -0.03 0.35 0.38 0.28 0.09 0.00 0.00 178.44 179.50 2kdb h SER 34 N -0.60 0.00 -0.00 -0.43 0.02 -0.79 0.39 113.55 112.14 2kdb h SER 34 Ca -0.01 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 2kdb h SER 34 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2kdb h SER 34 CO 0.02 0.00 -0.09 0.78 -1.14 0.00 0.00 176.83 176.40 2kdb h ASN 35 N 0.00 0.09 0.05 3.07 -0.26 -1.31 -3.37 115.58 113.85 2kdb h ASN 35 Ca 0.21 -0.75 0.00 0.00 -0.56 0.00 0.00 56.30 55.19 2kdb h ASN 35 Cb 0.96 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 38.19 2kdb h ASN 35 CO -0.00 0.83 -0.11 1.33 -1.06 0.00 0.00 177.43 178.42 2kdb n VAL 36 N -4.65 0.00 -3.25 2.81 0.24 -0.34 -4.91 118.33 108.24 2kdb n VAL 36 Ca -0.09 -0.26 -0.39 0.00 -2.04 0.00 0.00 64.34 61.56 2kdb n VAL 36 Cb 0.42 0.70 -0.06 0.00 -1.47 0.00 0.00 33.84 33.43 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 -2.17 3.61 0.41 6.34 5.04 0.12 -4.99 117.35 125.71 2kdb s TYR 37 Ca 0.31 1.07 0.09 0.00 -2.44 0.00 0.00 57.07 56.11 2kdb s TYR 37 Cb 0.20 -2.59 0.89 0.00 0.35 0.00 0.00 41.96 40.81 2kdb s TYR 37 CO 0.40 0.27 2.01 -1.00 -1.34 0.00 0.00 175.55 175.89 2kdb h PRO 38 N 6.13 0.53 0.00 4.97 0.13 -1.91 -1.58 132.00 140.27 2kdb h PRO 38 Ca -0.43 -0.03 -0.13 0.00 -0.87 0.00 0.00 66.00 64.53 2kdb h PRO 38 Cb 1.19 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 2kdb h PRO 38 CO 0.72 0.35 -0.64 1.03 -0.23 0.00 0.00 178.00 179.23 2kdb h SER 39 N 0.54 0.00 -5.94 1.44 0.87 -1.94 -3.49 113.55 105.03 2kdb h SER 39 Ca 0.22 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.58 2kdb h SER 39 Cb 0.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 2kdb h SER 39 CO -0.06 0.64 -0.59 0.29 -0.53 0.00 0.00 176.83 176.58 2kdb n LYS 40 N -3.39 -1.66 -2.10 2.24 5.02 -0.60 -5.01 118.16 112.66 2kdb n LYS 40 Ca 0.01 1.37 -0.30 0.00 -2.02 0.00 0.00 58.31 57.37 2kdb n LYS 40 Cb 0.74 -4.18 0.01 0.00 -0.02 0.00 0.00 35.03 31.58 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 -3.45 3.41 0.07 1.97 0.04 -1.26 -5.05 135.00 130.73 2kdb s PRO 41 Ca 0.10 0.51 -0.27 0.00 0.04 0.00 0.00 61.00 61.37 2kdb s PRO 41 Cb -0.02 -2.16 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 2kdb s PRO 41 CO 0.82 -0.57 0.86 -0.51 0.04 0.00 0.00 177.00 177.64 2kdb s LEU 42 N -5.09 4.47 0.35 -3.56 1.43 -1.26 -4.67 118.68 110.36 2kdb s LEU 42 Ca 0.54 1.61 0.04 0.00 -1.03 0.00 0.00 54.13 55.29 2kdb s LEU 42 Cb -0.11 -3.41 0.69 0.00 0.03 0.00 0.00 46.19 43.39 2kdb s LEU 42 CO 0.51 -0.04 1.98 0.71 0.23 0.00 0.00 176.35 179.74 2kdb h THR 43 N 4.12 1.09 0.00 5.49 1.35 -1.91 -1.61 112.91 121.45 2kdb h THR 43 Ca -0.43 -0.28 -0.00 0.00 -0.55 0.00 0.00 66.41 65.15 2kdb h THR 43 Cb 1.21 0.21 -0.00 0.00 -1.73 0.00 0.00 68.15 67.83 2kdb h THR 43 CO 0.72 0.15 -0.00 0.07 -0.25 0.00 0.00 175.52 176.20 2kdb h LYS 44 N 0.81 0.00 0.00 4.72 5.09 -2.00 -2.76 116.57 122.43 2kdb h LYS 44 Ca 0.28 0.00 -0.03 0.00 0.09 0.00 0.00 60.65 60.99 2kdb h LYS 44 Cb 0.09 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.42 2kdb h LYS 44 CO -0.08 0.00 -0.99 -0.44 -2.09 0.00 0.00 179.45 175.85 2kdb h ASP 45 N 0.00 0.00 -3.22 7.07 3.32 -1.71 -3.47 116.42 118.42 2kdb h ASP 45 Ca -0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 2kdb h ASP 45 Cb 0.66 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.11 2kdb h ASP 45 CO 0.00 0.10 -0.38 -1.10 -1.72 0.00 0.00 179.24 176.15 2kdb s GLN 46 N -3.27 4.15 0.18 3.56 -1.52 -0.99 -4.90 119.66 116.86 2kdb s GLN 46 Ca -0.00 0.00 0.10 0.00 -1.95 0.00 0.00 55.36 53.51 2kdb s GLN 46 Cb 0.09 -3.39 -0.04 0.00 -0.22 0.00 0.00 33.01 29.44 2kdb s GLN 46 CO 0.78 0.32 -0.21 1.03 -0.25 0.00 0.00 175.29 176.97 2kdb s ARG 47 N 0.24 1.39 -0.34 2.91 3.00 -1.26 -4.92 118.95 119.97 2kdb s ARG 47 Ca 0.14 -1.47 -0.07 0.00 0.00 0.00 0.00 55.73 54.34 2kdb s ARG 47 Cb -0.12 -1.58 0.04 0.00 0.00 0.00 0.00 34.95 33.28 2kdb s ARG 47 CO 0.03 0.33 0.11 -0.51 0.00 0.00 0.00 175.30 175.26 2kdb s LEU 48 N -2.68 4.32 -0.43 2.53 1.02 -1.26 -1.46 118.68 120.71 2kdb s LEU 48 Ca 0.18 -1.08 -0.10 0.00 0.02 0.00 0.00 54.13 53.15 2kdb s LEU 48 Cb -0.07 -1.89 0.08 0.00 0.02 0.00 0.00 46.19 44.34 2kdb s LEU 48 CO 0.08 -0.32 0.29 -0.69 0.02 0.00 0.00 176.35 175.73 2kdb s VAL 49 N 1.43 4.37 -0.58 -1.59 1.01 -0.44 -0.83 120.40 123.76 2kdb s VAL 49 Ca -0.01 -1.40 -0.17 0.00 0.00 0.00 0.00 61.98 60.40 2kdb s VAL 49 Cb -0.19 -3.69 0.12 0.00 0.00 0.00 0.00 36.38 32.62 2kdb s VAL 49 CO 0.03 -0.55 0.60 -0.47 0.00 0.00 0.00 175.10 174.71 2kdb s TYR 50 N 1.45 3.17 -0.24 5.22 5.04 -0.01 -0.76 117.35 131.21 2kdb s TYR 50 Ca 0.03 -1.19 0.00 0.00 -2.44 0.00 0.00 57.07 53.48 2kdb s TYR 50 Cb -0.24 -3.90 0.00 0.00 0.35 0.00 0.00 41.96 38.18 2kdb s TYR 50 CO 0.02 -1.14 0.00 0.43 -1.34 0.00 0.00 175.55 173.53 2kdb n SER 51 N 5.65 -5.48 0.00 4.32 7.64 -1.25 -2.01 113.62 122.49 2kdb n SER 51 Ca -0.11 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2kdb n SER 51 Cb 0.41 -3.18 0.00 0.00 -1.01 0.00 0.00 64.21 60.43 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 0.22 3.67 3.88 0.23 0.00 -1.26 -5.14 105.19 106.79 2kdb n GLY 52 Ca -0.02 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 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 3.68 -0.24 1.61 1.70 -0.85 -5.01 118.95 119.83 2kdb s ARG 53 Ca 0.00 0.53 -0.11 0.00 -0.47 0.00 0.00 55.73 55.68 2kdb s ARG 53 Cb 0.00 -2.26 -0.05 0.00 -0.57 0.00 0.00 34.95 32.07 2kdb s ARG 53 CO 0.00 -0.27 0.18 -1.17 -1.08 0.00 0.00 175.30 172.96 2kdb s LEU 54 N -4.53 4.11 -0.53 -1.89 2.96 -1.26 -0.83 118.68 116.70 2kdb s LEU 54 Ca 0.52 0.13 -0.21 0.00 -0.22 0.00 0.00 54.13 54.36 2kdb s LEU 54 Cb -0.10 -2.14 0.06 0.00 0.50 0.00 0.00 46.19 44.50 2kdb s LEU 54 CO 0.42 0.04 0.73 -0.76 -1.32 0.00 0.00 176.35 175.46 2kdb s LEU 55 N 1.16 4.71 0.27 -0.68 1.43 -0.01 -4.98 118.68 120.57 2kdb s LEU 55 Ca 0.08 -0.77 -0.29 0.00 -1.03 0.00 0.00 54.13 52.12 2kdb s LEU 55 Cb -0.14 -2.55 -0.09 0.00 0.03 0.00 0.00 46.19 43.44 2kdb s LEU 55 CO 0.05 -1.02 0.96 -2.16 0.23 0.00 0.00 176.35 174.42 2kdb s PRO 56 N 3.07 4.75 0.42 1.29 0.04 -1.26 -4.25 135.00 139.06 2kdb s PRO 56 Ca 0.20 1.50 0.29 0.00 0.04 0.00 0.00 61.00 63.03 2kdb s PRO 56 Cb -0.17 -3.14 1.45 0.00 0.04 0.00 0.00 34.50 32.68 2kdb s PRO 56 CO 0.14 0.41 1.89 0.38 0.04 0.00 0.00 177.00 179.85 2kdb h ASP 57 N 3.84 0.00 0.69 6.66 3.04 -1.97 -3.12 116.42 125.55 2kdb h ASP 57 Ca -0.46 0.00 -0.20 0.00 -3.24 0.00 0.00 57.03 53.14 2kdb h ASP 57 Cb 1.20 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.47 2kdb h ASP 57 CO 0.67 0.00 -0.90 1.12 -2.04 0.00 0.00 179.24 178.09 2kdb h HIS 58 N 0.00 0.20 -1.69 4.15 2.07 -1.96 -2.50 115.15 115.43 2kdb h HIS 58 Ca 0.00 -0.12 -0.44 0.00 -2.85 0.00 0.00 60.37 56.96 2kdb h HIS 58 Cb 0.18 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 30.14 2kdb h HIS 58 CO 0.00 0.96 -0.33 -0.48 -3.07 0.00 0.00 177.93 175.01 2kdb s LEU 59 N -7.27 3.82 0.48 6.12 0.05 -1.18 -4.93 118.68 115.77 2kdb s LEU 59 Ca -0.02 -0.31 -0.19 0.00 0.05 0.00 0.00 54.13 53.66 2kdb s LEU 59 Cb 0.10 -2.64 -0.09 0.00 -2.05 0.00 0.00 46.19 41.51 2kdb s LEU 59 CO 0.82 -0.53 0.99 -1.10 -0.55 0.00 0.00 176.35 175.99 2kdb s GLN 60 N -4.20 3.96 0.24 1.48 1.11 -1.26 -1.90 119.66 119.09 2kdb s GLN 60 Ca 0.48 1.17 -0.06 0.00 0.01 0.00 0.00 55.36 56.96 2kdb s GLN 60 Cb -0.09 -2.13 0.32 0.00 -1.01 0.00 0.00 33.01 30.09 2kdb s GLN 60 CO 0.31 -0.27 1.86 -0.07 0.01 0.00 0.00 175.29 177.13 2kdb h LEU 61 N 1.48 0.87 -1.57 2.90 3.38 -1.38 -2.70 115.31 118.31 2kdb h LEU 61 Ca -0.49 0.01 0.28 0.00 0.09 0.00 0.00 57.88 57.77 2kdb h LEU 61 Cb 1.20 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.69 2kdb h LEU 61 CO 0.60 0.57 0.70 0.07 0.09 0.00 0.00 178.44 180.47 2kdb h LYS 62 N 1.01 0.27 -0.84 1.13 5.09 -1.80 -1.35 116.57 120.08 2kdb h LYS 62 Ca 0.37 -0.02 0.16 0.00 0.09 0.00 0.00 60.65 61.26 2kdb h LYS 62 Cb 0.12 -0.06 -0.10 0.00 0.10 0.00 0.00 32.23 32.29 2kdb h LYS 62 CO -0.16 0.18 0.40 0.22 -2.09 0.00 0.00 179.45 178.00 2kdb h ASP 63 N 0.27 0.43 0.01 7.07 3.58 -1.81 -1.16 116.42 124.81 2kdb h ASP 63 Ca 0.57 0.11 -0.38 0.00 0.42 0.00 0.00 57.03 57.75 2kdb h ASP 63 Cb 1.67 0.05 -0.07 0.00 1.72 0.00 0.00 39.33 42.70 2kdb h ASP 63 CO -0.20 0.14 -2.41 -0.38 -2.88 0.00 0.00 179.24 173.51 2kdb n ILE 64 N -4.94 1.43 -0.56 2.25 -0.00 -0.92 -4.63 119.36 111.99 2kdb n ILE 64 Ca 0.18 -0.76 0.10 0.00 -0.00 0.00 0.00 62.75 62.26 2kdb n ILE 64 Cb 0.48 -0.80 0.36 0.00 -0.00 0.00 0.00 39.64 39.68 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 -2.93 4.69 0.03 1.39 4.77 -0.56 -4.20 117.00 120.19 2kdb n LEU 65 Ca -0.37 -2.36 -0.03 0.00 -0.03 0.00 0.00 56.01 53.22 2kdb n LEU 65 Cb 1.10 -0.58 0.23 0.00 -2.33 0.00 0.00 43.42 41.84 2kdb n LEU 65 CO 0.37 0.82 0.75 -0.09 -1.33 0.00 0.00 177.39 177.91 2kdb h ARG 66 N 4.11 0.44 -0.20 3.23 2.43 -1.47 -2.12 114.38 120.81 2kdb h ARG 66 Ca 0.00 -0.16 0.02 0.00 -0.81 0.00 0.00 59.98 59.03 2kdb h ARG 66 Cb 1.41 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.91 2kdb h ARG 66 CO 0.22 0.65 0.07 0.87 -1.51 0.00 0.00 179.97 180.27 2kdb h LYS 67 N 0.39 0.17 0.00 0.20 1.79 -1.87 -3.33 116.57 113.92 2kdb h LYS 67 Ca 0.06 -0.01 -0.32 0.00 -2.18 0.00 0.00 60.65 58.20 2kdb h LYS 67 Cb 0.63 -0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 31.19 2kdb h LYS 67 CO 0.05 0.11 -2.20 1.04 -1.08 0.00 0.00 179.45 177.37 2kdb n GLN 68 N -5.03 0.52 0.00 3.15 6.02 -1.25 -5.02 117.38 115.77 2kdb n GLN 68 Ca -0.03 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 2kdb n GLN 68 Cb 0.07 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 29.92 2kdb n GLN 68 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2kdb n ASP 69 N -3.22 0.00 -0.04 1.08 2.03 -0.80 -4.56 116.55 111.05 2kdb n ASP 69 Ca -0.38 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 54.85 2kdb n ASP 69 Cb 0.89 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 41.23 2kdb n ASP 69 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2kdb h GLU 70 N 0.00 -0.25 -5.56 -0.67 4.81 -1.88 -3.42 114.58 107.62 2kdb h GLU 70 Ca 0.00 0.02 -0.48 0.00 -0.13 0.00 0.00 59.36 58.76 2kdb h GLU 70 Cb 0.00 0.06 -0.25 0.00 0.63 0.00 0.00 28.75 29.19 2kdb h GLU 70 CO 0.00 -0.17 -0.81 1.52 -0.73 0.00 0.00 179.01 178.83 2kdb s TYR 71 N -4.39 1.41 -0.14 0.92 1.13 -1.26 -0.58 117.35 114.43 2kdb s TYR 71 Ca -0.08 -0.36 -0.05 0.00 -1.41 0.00 0.00 57.07 55.17 2kdb s TYR 71 Cb 0.04 -0.83 0.07 0.00 -1.10 0.00 0.00 41.96 40.14 2kdb s TYR 71 CO 0.32 0.06 0.28 -1.01 -2.51 0.00 0.00 175.55 172.69 2kdb s HIS 72 N -0.85 -0.47 -0.57 -3.49 3.76 -1.00 -4.86 115.29 107.82 2kdb s HIS 72 Ca 0.03 0.99 -0.20 0.00 -0.15 0.00 0.00 55.06 55.73 2kdb s HIS 72 Cb -0.08 -0.02 0.07 0.00 1.11 0.00 0.00 32.58 33.66 2kdb s HIS 72 CO 0.01 -0.39 0.76 0.00 -0.85 0.00 0.00 174.74 174.28 2kdb s MET 73 N 2.44 3.13 0.09 1.40 0.23 -1.26 -0.36 119.30 124.96 2kdb s MET 73 Ca 0.01 -0.92 0.06 0.00 -1.03 0.00 0.00 55.69 53.82 2kdb s MET 73 Cb -0.12 -4.17 -0.04 0.00 -1.53 0.00 0.00 34.83 28.97 2kdb s MET 73 CO -0.09 -1.48 -0.05 0.08 -2.03 0.00 0.00 175.02 171.46 2kdb s VAL 74 N 3.13 3.73 -0.31 5.16 1.01 -0.08 -3.94 120.40 129.10 2kdb s VAL 74 Ca 0.18 -1.10 -0.07 0.00 0.00 0.00 0.00 61.98 60.99 2kdb s VAL 74 Cb -0.19 -2.76 0.02 0.00 0.00 0.00 0.00 36.38 33.45 2kdb s VAL 74 CO 0.11 0.13 0.08 -1.00 0.00 0.00 0.00 175.10 174.42 2kdb s HIS 75 N -1.26 3.18 -0.82 5.22 3.76 0.07 -1.06 115.29 124.37 2kdb s HIS 75 Ca 0.24 -1.13 -0.21 0.00 -0.15 0.00 0.00 55.06 53.81 2kdb s HIS 75 Cb -0.11 -2.26 0.09 0.00 1.11 0.00 0.00 32.58 31.41 2kdb s HIS 75 CO 0.16 -0.63 1.11 -1.17 -0.85 0.00 0.00 174.74 173.36 2kdb s LEU 76 N 1.47 4.50 0.00 0.89 2.96 -0.76 -1.33 118.68 126.41 2kdb s LEU 76 Ca 0.01 -1.47 0.26 0.00 -0.22 0.00 0.00 54.13 52.71 2kdb s LEU 76 Cb -0.18 -2.44 0.65 0.00 0.50 0.00 0.00 46.19 44.72 2kdb s LEU 76 CO 0.02 -1.31 1.52 0.55 -1.32 0.00 0.00 176.35 175.81