#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 4.06 -0.76 -1.45 1.01 0.40 -4.82 120.40 118.83 2kdb s VAL 2 Ca 0.00 1.09 -0.25 0.00 0.00 0.00 0.00 61.98 62.81 2kdb s VAL 2 Cb 0.00 -4.38 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 2kdb s VAL 2 CO 0.00 -0.85 1.86 -0.89 0.00 0.00 0.00 175.10 175.21 2kdb s THR 3 N 4.93 3.44 -0.60 3.92 2.01 -0.01 -1.11 115.64 128.21 2kdb s THR 3 Ca 0.55 -0.08 -0.18 0.00 0.31 0.00 0.00 61.69 62.29 2kdb s THR 3 Cb -0.11 -4.06 0.12 0.00 0.01 0.00 0.00 72.50 68.46 2kdb s THR 3 CO 0.32 -1.01 0.66 -0.22 -0.69 0.00 0.00 174.62 173.67 2kdb s LEU 4 N 9.20 5.74 -0.84 4.42 2.96 -0.25 -2.04 118.68 137.87 2kdb s LEU 4 Ca 0.66 -1.66 -0.25 0.00 -0.22 0.00 0.00 54.13 52.66 2kdb s LEU 4 Cb -0.09 -2.27 0.01 0.00 0.50 0.00 0.00 46.19 44.34 2kdb s LEU 4 CO 0.10 -0.99 1.55 -0.63 -1.32 0.00 0.00 176.35 175.06 2kdb s ILE 5 N 2.16 3.67 -0.39 6.68 1.01 0.46 -1.52 121.20 133.27 2kdb s ILE 5 Ca 0.10 -0.14 -0.23 0.00 0.00 0.00 0.00 60.65 60.38 2kdb s ILE 5 Cb -0.24 -4.63 0.01 0.00 0.01 0.00 0.00 42.46 37.60 2kdb s ILE 5 CO 0.04 -1.56 0.76 -0.63 0.00 0.00 0.00 174.94 173.55 2kdb s ILE 6 N 6.84 4.73 0.14 2.92 -1.09 0.39 -1.37 121.20 133.76 2kdb s ILE 6 Ca 0.50 0.70 0.10 0.00 -2.23 0.00 0.00 60.65 59.73 2kdb s ILE 6 Cb -0.06 -4.22 -0.04 0.00 -1.58 0.00 0.00 42.46 36.56 2kdb s ILE 6 CO 0.05 -0.50 -0.24 -1.59 -1.23 0.00 0.00 174.94 171.43 2kdb s LYS 7 N 3.10 1.37 -0.14 2.79 -2.85 -0.71 -1.03 119.74 122.27 2kdb s LYS 7 Ca 0.30 -1.37 -0.09 0.00 -1.00 0.00 0.00 55.97 53.81 2kdb s LYS 7 Cb -0.13 -1.75 -0.04 0.00 -2.06 0.00 0.00 37.83 33.85 2kdb s LYS 7 CO 0.18 0.40 0.17 0.00 0.10 0.00 0.00 175.35 176.20 2kdb s ALA 8 N -1.32 3.78 0.50 0.59 0.00 -0.27 0.32 121.76 125.37 2kdb s ALA 8 Ca 0.15 -0.60 0.15 0.00 0.00 0.00 0.00 51.96 51.65 2kdb s ALA 8 Cb -0.09 -2.10 1.20 0.00 0.00 0.00 0.00 23.12 22.13 2kdb s ALA 8 CO 0.07 0.43 2.13 -1.00 0.00 0.00 0.00 175.76 177.39 2kdb h PRO 9 N 5.60 0.10 0.00 0.00 0.13 -1.88 -0.98 132.00 134.97 2kdb h PRO 9 Ca -0.49 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 2kdb h PRO 9 Cb 1.20 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kdb h PRO 9 CO 0.65 0.07 -0.06 -0.91 -0.23 0.00 0.00 178.00 177.51 2kdb h ASN 10 N 0.10 0.00 0.00 1.44 2.35 -1.92 -3.47 115.58 114.08 2kdb h ASN 10 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2kdb h ASN 10 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2kdb h ASN 10 CO -0.01 0.06 0.00 1.67 -1.65 0.00 0.00 177.43 177.51 2kdb n GLN 11 N -3.24 -0.06 -0.26 0.81 7.27 -0.37 -4.87 117.38 116.66 2kdb n GLN 11 Ca -0.00 0.01 0.00 0.00 0.07 0.00 0.00 57.00 57.08 2kdb n GLN 11 Cb 0.29 -3.23 0.13 0.00 2.41 0.00 0.00 30.24 29.83 2kdb n GLN 11 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 2kdb h LYS 12 N 1.85 0.73 -4.78 3.69 1.63 -1.91 -3.35 116.57 114.43 2kdb h LYS 12 Ca 0.00 -0.04 -0.67 0.00 -0.85 0.00 0.00 60.65 59.08 2kdb h LYS 12 Cb 0.03 -0.16 -0.22 0.00 -0.60 0.00 0.00 32.23 31.27 2kdb h LYS 12 CO 0.00 0.48 -0.56 0.71 -3.45 0.00 0.00 179.45 176.63 2kdb s TYR 13 N -6.07 3.18 0.84 1.91 2.02 -1.26 -5.05 117.35 112.92 2kdb s TYR 13 Ca -0.13 -0.57 -0.12 0.00 -0.37 0.00 0.00 57.07 55.89 2kdb s TYR 13 Cb 0.17 -2.35 0.10 0.00 -0.40 0.00 0.00 41.96 39.48 2kdb s TYR 13 CO 0.77 -0.45 1.10 -1.12 -1.57 0.00 0.00 175.55 174.27 2kdb s SER 14 N 1.61 4.04 -0.78 2.29 0.01 -1.26 -1.11 113.70 118.50 2kdb s SER 14 Ca 0.05 1.33 -0.25 0.00 1.31 0.00 0.00 55.95 58.38 2kdb s SER 14 Cb -0.17 -2.03 -0.05 0.00 0.21 0.00 0.00 66.02 63.98 2kdb s SER 14 CO 0.06 -2.26 2.00 1.51 0.41 0.00 0.00 173.24 174.97 2kdb s ASP 15 N -3.75 4.99 -0.10 2.44 -4.77 -1.26 -4.47 116.67 109.76 2kdb s ASP 15 Ca 0.62 -0.20 -0.21 0.00 -3.30 0.00 0.00 52.55 49.46 2kdb s ASP 15 Cb -0.16 -2.55 -0.04 0.00 -1.09 0.00 0.00 42.92 39.09 2kdb s ASP 15 CO 0.55 -2.78 0.58 -1.10 0.70 0.00 0.00 175.17 173.12 2kdb s GLN 16 N 7.31 4.38 -0.62 2.11 -1.52 -0.20 -4.82 119.66 126.31 2kdb s GLN 16 Ca 0.73 0.64 -0.28 0.00 -1.95 0.00 0.00 55.36 54.51 2kdb s GLN 16 Cb -0.10 -3.44 0.02 0.00 -0.22 0.00 0.00 33.01 29.27 2kdb s GLN 16 CO 0.08 0.11 1.31 0.95 -0.25 0.00 0.00 175.29 177.50 2kdb s THR 17 N 0.71 3.83 -0.37 -0.19 -4.23 -1.26 -0.46 115.64 113.67 2kdb s THR 17 Ca 0.31 0.66 -0.13 0.00 -1.18 0.00 0.00 61.69 61.35 2kdb s THR 17 Cb -0.16 -4.66 0.00 0.00 1.34 0.00 0.00 72.50 69.02 2kdb s THR 17 CO 0.14 -1.42 0.25 -0.63 -0.54 0.00 0.00 174.62 172.41 2kdb s ILE 18 N 5.69 5.13 -0.27 2.99 -1.09 -0.57 -4.90 121.20 128.18 2kdb s ILE 18 Ca 0.44 -0.48 -0.29 0.00 -2.23 0.00 0.00 60.65 58.10 2kdb s ILE 18 Cb -0.09 -3.74 -0.03 0.00 -1.58 0.00 0.00 42.46 37.02 2kdb s ILE 18 CO 0.22 -0.14 1.80 -0.94 -1.23 0.00 0.00 174.94 174.65 2kdb s SER 19 N 1.68 6.01 0.18 3.58 1.04 -1.26 -1.09 113.70 123.83 2kdb s SER 19 Ca 0.05 1.53 0.04 0.00 0.48 0.00 0.00 55.95 58.05 2kdb s SER 19 Cb -0.18 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.40 2kdb s SER 19 CO 0.09 -1.57 0.14 0.00 0.98 0.00 0.00 173.24 172.88 2kdb s PHE 21 N -2.65 0.79 -1.68 0.00 0.08 -1.26 -0.45 117.98 112.81 2kdb s PHE 21 Ca 0.19 -0.44 0.25 0.00 0.12 0.00 0.00 56.93 57.05 2kdb s PHE 21 Cb 0.01 -0.47 1.34 0.00 -0.57 0.00 0.00 43.02 43.33 2kdb s PHE 21 CO 0.14 -0.04 1.83 1.28 -0.10 0.00 0.00 175.22 178.32 2kdb n LEU 22 N 1.62 0.00 -0.34 -0.37 4.77 -1.26 -3.58 117.00 117.84 2kdb n LEU 22 Ca -0.21 0.16 0.07 0.00 -0.03 0.00 0.00 56.01 56.00 2kdb n LEU 22 Cb 0.55 -0.16 0.23 0.00 -2.33 0.00 0.00 43.42 41.71 2kdb n LEU 22 CO 0.21 -0.03 1.19 -1.13 -1.33 0.00 0.00 177.39 176.30 2kdb h ASN 23 N 0.00 0.80 -3.96 -1.43 -1.24 -1.99 -3.30 115.58 104.46 2kdb h ASN 23 Ca 0.00 0.06 -0.48 0.00 0.71 0.00 0.00 56.30 56.59 2kdb h ASN 23 Cb 0.13 -0.09 0.07 0.00 0.73 0.00 0.00 38.32 39.15 2kdb h ASN 23 CO 0.00 0.41 0.27 0.26 -1.29 0.00 0.00 177.43 177.07 2kdb s TRP 24 N -5.96 3.21 0.59 0.67 0.51 -1.24 -4.92 118.94 111.80 2kdb s TRP 24 Ca -0.12 0.74 -0.06 0.00 -2.12 0.00 0.00 56.10 54.55 2kdb s TRP 24 Cb 0.22 -2.94 0.01 0.00 -0.81 0.00 0.00 33.47 29.95 2kdb s TRP 24 CO 0.80 -1.05 0.90 0.95 -0.51 0.00 0.00 176.95 178.03 2kdb s THR 25 N -3.16 3.61 0.37 2.01 -4.23 -1.26 -2.23 115.64 110.74 2kdb s THR 25 Ca 0.56 -0.03 0.05 0.00 -1.18 0.00 0.00 61.69 61.10 2kdb s THR 25 Cb -0.11 -3.43 0.28 0.00 1.34 0.00 0.00 72.50 70.58 2kdb s THR 25 CO 0.47 -0.44 1.99 0.58 -0.54 0.00 0.00 174.62 176.68 2kdb h VAL 26 N -0.17 1.07 -0.23 2.29 2.07 -1.56 -1.11 116.25 118.61 2kdb h VAL 26 Ca -0.45 -0.26 -0.20 0.00 0.82 0.00 0.00 66.70 66.61 2kdb h VAL 26 Cb 1.26 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2kdb h VAL 26 CO 0.60 0.14 -0.63 1.23 0.02 0.00 0.00 177.57 178.93 2kdb h GLY 27 N 0.75 0.91 1.55 2.17 0.00 -1.85 -0.32 103.07 106.28 2kdb h GLY 27 Ca 0.27 -1.16 -0.06 0.00 0.00 0.00 0.00 47.33 46.38 2kdb h GLY 27 CO -0.08 1.04 -0.06 0.50 0.00 0.00 0.00 176.54 177.94 2kdb h LYS 28 N 0.59 0.55 -0.22 4.80 1.57 -1.75 -1.50 116.57 120.62 2kdb h LYS 28 Ca -0.01 -0.14 -0.09 0.00 -1.87 0.00 0.00 60.65 58.53 2kdb h LYS 28 Cb 1.25 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.49 2kdb h LYS 28 CO 0.14 0.62 -0.22 1.25 -0.57 0.00 0.00 179.45 180.67 2kdb h LEU 29 N 0.52 0.58 -1.36 2.94 7.12 -1.14 -1.23 115.31 122.73 2kdb h LEU 29 Ca 0.10 -0.48 -0.06 0.00 0.13 0.00 0.00 57.88 57.58 2kdb h LEU 29 Cb 0.43 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 40.38 2kdb h LEU 29 CO 0.02 0.94 -0.19 0.50 -0.13 0.00 0.00 178.44 179.58 2kdb h LYS 30 N 0.23 0.19 -0.02 1.25 3.64 -0.81 0.12 116.57 121.17 2kdb h LYS 30 Ca 0.03 -0.05 -0.23 0.00 -1.27 0.00 0.00 60.65 59.13 2kdb h LYS 30 Cb 0.78 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.58 2kdb h LYS 30 CO 0.06 0.38 -0.94 1.15 -2.27 0.00 0.00 179.45 177.83 2kdb h THR 31 N 0.18 1.36 -0.83 1.00 2.02 -1.27 -2.26 112.91 113.10 2kdb h THR 31 Ca 0.03 -2.33 0.02 0.00 0.77 0.00 0.00 66.41 64.91 2kdb h THR 31 Cb 0.44 2.35 -0.04 0.00 -1.74 0.00 0.00 68.15 69.15 2kdb h THR 31 CO 0.03 0.71 0.55 -0.74 0.37 0.00 0.00 175.52 176.43 2kdb h HIS 32 N 0.30 1.01 -0.26 3.16 -0.00 -0.41 -2.30 115.15 116.66 2kdb h HIS 32 Ca -0.09 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.25 2kdb h HIS 32 Cb 1.57 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 28.63 2kdb h HIS 32 CO 0.07 0.61 -0.05 -0.07 -0.00 0.00 0.00 177.93 178.49 2kdb h LEU 33 N 1.07 0.50 -2.01 0.26 3.38 -0.77 -0.70 115.31 117.04 2kdb h LEU 33 Ca 0.32 -0.36 0.14 0.00 0.09 0.00 0.00 57.88 58.07 2kdb h LEU 33 Cb -0.03 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2kdb h LEU 33 CO -0.09 0.74 0.43 -1.28 0.09 0.00 0.00 178.44 178.34 2kdb h SER 34 N 0.25 0.00 0.00 -0.43 0.87 -0.87 -0.58 113.55 112.78 2kdb h SER 34 Ca 0.07 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.50 2kdb h SER 34 Cb 0.52 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.46 2kdb h SER 34 CO 0.02 0.00 -0.97 0.59 -0.53 0.00 0.00 176.83 175.94 2kdb n ASN 35 N -3.96 1.85 0.04 6.23 3.02 -0.95 -4.38 115.26 117.11 2kdb n ASN 35 Ca 0.09 0.51 0.13 0.00 -0.03 0.00 0.00 54.58 55.28 2kdb n ASN 35 Cb 0.63 -0.90 0.41 0.00 -0.61 0.00 0.00 39.78 39.31 2kdb n ASN 35 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2kdb n VAL 36 N -4.51 0.23 -3.30 2.41 0.24 -0.29 -4.82 118.33 108.29 2kdb n VAL 36 Ca -0.21 -0.13 -0.38 0.00 -2.04 0.00 0.00 64.34 61.58 2kdb n VAL 36 Cb 0.49 -0.31 -0.06 0.00 -1.47 0.00 0.00 33.84 32.49 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 -3.06 3.71 0.22 6.34 5.04 -0.25 -5.01 117.35 124.35 2kdb s TYR 37 Ca 0.11 1.14 -0.07 0.00 -2.44 0.00 0.00 57.07 55.81 2kdb s TYR 37 Cb 0.16 -2.50 0.34 0.00 0.35 0.00 0.00 41.96 40.30 2kdb s TYR 37 CO 0.62 0.46 1.76 -1.00 -1.34 0.00 0.00 175.55 176.05 2kdb h PRO 38 N 5.23 0.49 0.00 4.97 0.13 -1.88 -1.60 132.00 139.34 2kdb h PRO 38 Ca -0.47 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.58 2kdb h PRO 38 Cb 1.21 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2kdb h PRO 38 CO 0.67 0.32 -0.22 1.03 -0.23 0.00 0.00 178.00 179.57 2kdb h SER 39 N 0.50 0.00 -5.62 1.44 0.87 -1.94 -3.48 113.55 105.31 2kdb h SER 39 Ca 0.34 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.81 2kdb h SER 39 Cb 0.42 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2kdb h SER 39 CO -0.30 0.22 -0.36 0.29 -0.53 0.00 0.00 176.83 176.15 2kdb n LYS 40 N -3.33 -1.65 -2.38 2.24 5.02 -0.60 -4.97 118.16 112.49 2kdb n LYS 40 Ca 0.01 1.54 -0.34 0.00 -2.02 0.00 0.00 58.31 57.49 2kdb n LYS 40 Cb 0.46 -5.01 -0.02 0.00 -0.02 0.00 0.00 35.03 30.44 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 -3.16 3.60 -0.23 1.97 0.04 -1.26 -4.94 135.00 131.02 2kdb s PRO 41 Ca 0.08 1.39 -0.29 0.00 0.04 0.00 0.00 61.00 62.23 2kdb s PRO 41 Cb -0.02 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 2kdb s PRO 41 CO 0.78 -0.60 1.88 -0.51 0.04 0.00 0.00 177.00 178.59 2kdb s LEU 42 N -3.75 3.69 0.50 -3.56 1.43 -1.26 -4.37 118.68 111.36 2kdb s LEU 42 Ca 0.68 1.69 0.15 0.00 -1.03 0.00 0.00 54.13 55.62 2kdb s LEU 42 Cb -0.18 -3.52 1.20 0.00 0.03 0.00 0.00 46.19 43.72 2kdb s LEU 42 CO 0.25 -1.58 2.11 0.74 0.23 0.00 0.00 176.35 178.09 2kdb h THR 43 N 6.60 1.03 -0.14 5.49 2.02 -1.87 0.25 112.91 126.29 2kdb h THR 43 Ca -0.37 -0.15 -0.13 0.00 0.77 0.00 0.00 66.41 66.53 2kdb h THR 43 Cb 1.19 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.66 2kdb h THR 43 CO 0.99 0.04 -0.47 0.07 0.37 0.00 0.00 175.52 176.53 2kdb h LYS 44 N 0.01 0.36 0.00 6.66 2.10 -1.97 -3.40 116.57 120.33 2kdb h LYS 44 Ca 0.00 -0.20 -0.17 0.00 -2.00 0.00 0.00 60.65 58.29 2kdb h LYS 44 Cb 0.07 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.39 2kdb h LYS 44 CO 0.00 0.76 -1.39 -3.47 -2.00 0.00 0.00 179.45 173.36 2kdb n ASP 45 N -3.98 1.37 -4.73 7.07 2.03 -0.91 -4.98 116.55 112.41 2kdb n ASP 45 Ca -0.02 0.23 -0.42 0.00 0.52 0.00 0.00 54.79 55.10 2kdb n ASP 45 Cb 0.54 -0.53 -0.03 0.00 -0.72 0.00 0.00 41.12 40.38 2kdb n ASP 45 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2kdb s GLN 46 N -2.41 4.15 0.00 -0.67 -1.52 0.03 -5.02 119.66 114.23 2kdb s GLN 46 Ca -0.21 2.52 0.08 0.00 -1.95 0.00 0.00 55.36 55.80 2kdb s GLN 46 Cb 0.06 -3.08 -0.02 0.00 -0.22 0.00 0.00 33.01 29.75 2kdb s GLN 46 CO 0.28 -0.66 -0.24 1.03 -0.25 0.00 0.00 175.29 175.45 2kdb s ARG 47 N 0.61 1.83 -0.24 2.91 0.52 -0.85 -4.81 118.95 118.92 2kdb s ARG 47 Ca 0.70 -0.90 -0.17 0.00 -0.52 0.00 0.00 55.73 54.83 2kdb s ARG 47 Cb -0.47 -1.83 -0.03 0.00 0.52 0.00 0.00 34.95 33.13 2kdb s ARG 47 CO 0.37 0.49 0.46 -0.51 0.02 0.00 0.00 175.30 176.14 2kdb s LEU 48 N -0.75 4.08 -0.10 2.53 1.43 -1.26 -0.92 118.68 123.69 2kdb s LEU 48 Ca 0.09 0.50 0.01 0.00 -1.03 0.00 0.00 54.13 53.71 2kdb s LEU 48 Cb -0.09 -2.59 0.02 0.00 0.03 0.00 0.00 46.19 43.55 2kdb s LEU 48 CO -0.00 -0.21 -0.13 -0.69 0.23 0.00 0.00 176.35 175.55 2kdb s VAL 49 N 1.96 1.35 -0.55 -1.59 1.01 -0.42 -0.79 120.40 121.36 2kdb s VAL 49 Ca 0.20 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 2kdb s VAL 49 Cb -0.15 -1.25 0.14 0.00 0.00 0.00 0.00 36.38 35.11 2kdb s VAL 49 CO 0.09 0.41 0.45 -0.47 0.00 0.00 0.00 175.10 175.58 2kdb s TYR 50 N 1.07 3.43 0.00 5.22 6.14 0.12 -0.35 117.35 132.98 2kdb s TYR 50 Ca -0.06 -1.81 0.00 0.00 0.64 0.00 0.00 57.07 55.84 2kdb s TYR 50 Cb -0.15 -3.59 0.00 0.00 0.42 0.00 0.00 41.96 38.64 2kdb s TYR 50 CO -0.02 -0.99 0.00 0.43 0.64 0.00 0.00 175.55 175.61 2kdb n SER 51 N 4.75 0.00 0.00 4.32 7.64 -1.26 -1.96 113.62 127.12 2kdb n SER 51 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2kdb n SER 51 Cb 0.41 -1.92 0.00 0.00 -1.01 0.00 0.00 64.21 61.69 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 -2.00 2.37 3.78 0.23 0.00 -1.26 -5.14 105.19 103.17 2kdb n GLY 52 Ca 0.00 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 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 4.30 0.24 1.61 1.04 -0.83 -5.06 118.95 120.25 2kdb s ARG 53 Ca 0.00 0.78 -0.30 0.00 -1.04 0.00 0.00 55.73 55.18 2kdb s ARG 53 Cb 0.00 -3.30 -0.09 0.00 -2.04 0.00 0.00 34.95 29.52 2kdb s ARG 53 CO 0.00 0.47 1.03 -1.17 -0.04 0.00 0.00 175.30 175.59 2kdb s LEU 54 N -0.56 4.58 -0.57 -1.89 1.98 -1.26 -0.70 118.68 120.26 2kdb s LEU 54 Ca 0.31 2.09 -0.18 0.00 -2.89 0.00 0.00 54.13 53.46 2kdb s LEU 54 Cb -0.19 -3.61 0.10 0.00 0.66 0.00 0.00 46.19 43.14 2kdb s LEU 54 CO 0.19 -0.03 0.65 -0.76 -1.89 0.00 0.00 176.35 174.50 2kdb s LEU 55 N -1.08 5.46 0.35 -0.68 1.43 0.03 -4.91 118.68 119.28 2kdb s LEU 55 Ca 0.44 -1.41 -0.25 0.00 -1.03 0.00 0.00 54.13 51.88 2kdb s LEU 55 Cb -0.29 -2.30 -0.10 0.00 0.03 0.00 0.00 46.19 43.53 2kdb s LEU 55 CO 0.36 -1.03 0.96 -2.16 0.23 0.00 0.00 176.35 174.71 2kdb s PRO 56 N 2.47 4.48 0.58 1.29 0.04 -1.26 -4.61 135.00 138.00 2kdb s PRO 56 Ca 0.10 1.32 0.36 0.00 0.04 0.00 0.00 61.00 62.83 2kdb s PRO 56 Cb -0.24 -2.68 1.69 0.00 0.04 0.00 0.00 34.50 33.31 2kdb s PRO 56 CO 0.06 0.18 2.11 0.38 0.04 0.00 0.00 177.00 179.77 2kdb h ASP 57 N 2.91 0.00 1.02 6.66 2.03 -1.98 -3.10 116.42 123.97 2kdb h ASP 57 Ca -0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 2kdb h ASP 57 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 2kdb h ASP 57 CO 0.64 0.02 0.00 1.12 -1.03 0.00 0.00 179.24 179.99 2kdb h HIS 58 N 0.00 0.00 -2.01 4.15 2.07 -1.98 -3.32 115.15 114.06 2kdb h HIS 58 Ca -0.00 0.00 -0.59 0.00 -2.85 0.00 0.00 60.37 56.93 2kdb h HIS 58 Cb 0.35 0.00 -0.11 0.00 2.57 0.00 0.00 27.41 30.22 2kdb h HIS 58 CO 0.00 0.00 -0.65 -0.48 -3.07 0.00 0.00 177.93 173.73 2kdb s LEU 59 N -4.82 2.91 0.61 6.12 0.05 -1.17 -5.03 118.68 117.36 2kdb s LEU 59 Ca 0.06 -0.98 -0.12 0.00 0.05 0.00 0.00 54.13 53.13 2kdb s LEU 59 Cb 0.10 -1.31 -0.04 0.00 -2.05 0.00 0.00 46.19 42.89 2kdb s LEU 59 CO 0.48 -0.16 1.03 -1.10 -0.55 0.00 0.00 176.35 176.05 2kdb s GLN 60 N -3.66 3.58 0.35 1.48 1.11 -1.26 -2.15 119.66 119.12 2kdb s GLN 60 Ca 0.33 0.82 0.04 0.00 0.01 0.00 0.00 55.36 56.57 2kdb s GLN 60 Cb -0.01 -2.08 0.66 0.00 -1.01 0.00 0.00 33.01 30.57 2kdb s GLN 60 CO 0.18 -0.58 1.95 -0.07 0.01 0.00 0.00 175.29 176.78 2kdb h LEU 61 N -0.11 0.56 -1.83 2.90 3.38 -1.57 -2.63 115.31 116.00 2kdb h LEU 61 Ca -0.45 -0.06 0.17 0.00 0.09 0.00 0.00 57.88 57.64 2kdb h LEU 61 Cb 1.19 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 2kdb h LEU 61 CO 0.61 0.52 0.48 0.07 0.09 0.00 0.00 178.44 180.21 2kdb h LYS 62 N 0.62 0.16 -0.89 1.13 5.09 -1.83 -1.48 116.57 119.36 2kdb h LYS 62 Ca 0.15 -0.01 0.20 0.00 0.09 0.00 0.00 60.65 61.08 2kdb h LYS 62 Cb 0.13 -0.04 -0.11 0.00 0.10 0.00 0.00 32.23 32.32 2kdb h LYS 62 CO -0.01 0.10 0.43 0.22 -2.09 0.00 0.00 179.45 178.10 2kdb h ASP 63 N 0.16 0.43 0.00 7.07 3.58 -1.83 0.25 116.42 126.08 2kdb h ASP 63 Ca 0.33 0.13 -0.13 0.00 0.42 0.00 0.00 57.03 57.79 2kdb h ASP 63 Cb 1.09 0.08 -0.02 0.00 1.72 0.00 0.00 39.33 42.19 2kdb h ASP 63 CO -0.05 0.08 -1.93 -0.38 -2.88 0.00 0.00 179.24 174.09 2kdb n ILE 64 N -4.97 0.48 0.05 2.25 -0.00 -0.89 -4.72 119.36 111.55 2kdb n ILE 64 Ca 0.21 -0.52 0.01 0.00 -0.00 0.00 0.00 62.75 62.45 2kdb n ILE 64 Cb 0.59 -0.19 0.01 0.00 -0.00 0.00 0.00 39.64 40.05 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 -2.32 1.34 0.29 1.39 4.77 -0.61 -4.68 117.00 117.19 2kdb n LEU 65 Ca -0.13 -1.21 0.18 0.00 -0.03 0.00 0.00 56.01 54.82 2kdb n LEU 65 Cb 0.70 -0.01 0.86 0.00 -2.33 0.00 0.00 43.42 42.64 2kdb n LEU 65 CO 0.35 0.32 1.05 0.08 -1.33 0.00 0.00 177.39 177.86 2kdb h ARG 66 N 0.30 0.00 -0.81 3.23 0.11 -1.18 -2.44 114.38 113.59 2kdb h ARG 66 Ca 0.00 0.00 0.06 0.00 0.10 0.00 0.00 59.98 60.14 2kdb h ARG 66 Cb 0.16 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.19 2kdb h ARG 66 CO 0.00 0.03 0.53 0.87 0.10 0.00 0.00 179.97 181.51 2kdb h LYS 67 N 0.00 0.87 0.00 0.08 1.79 -1.83 -3.33 116.57 114.15 2kdb h LYS 67 Ca -0.00 -0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 58.35 2kdb h LYS 67 Cb 0.32 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 2kdb h LYS 67 CO 0.00 0.58 -0.96 1.04 -1.08 0.00 0.00 179.45 179.03 2kdb n GLN 68 N -4.48 0.38 -1.72 3.15 3.00 -1.17 -5.00 117.38 111.54 2kdb n GLN 68 Ca 0.12 0.15 -0.20 0.00 -0.01 0.00 0.00 57.00 57.06 2kdb n GLN 68 Cb 0.20 -1.16 -0.07 0.00 0.00 0.00 0.00 30.24 29.21 2kdb n GLN 68 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2kdb n ASP 69 N -4.11 -5.36 0.00 1.08 2.03 -0.93 -4.74 116.55 104.52 2kdb n ASP 69 Ca -0.15 0.41 0.00 0.00 0.52 0.00 0.00 54.79 55.57 2kdb n ASP 69 Cb 0.44 -4.70 0.00 0.00 -0.72 0.00 0.00 41.12 36.14 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 -2.44 0.00 -3.58 -0.67 2.13 -1.26 -4.49 120.64 110.33 2kdb n GLU 70 Ca -0.21 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.49 2kdb n GLU 70 Cb 0.66 -0.49 -0.05 0.00 0.27 0.00 0.00 31.44 31.83 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 -1.84 -0.36 -0.14 4.31 1.13 -1.26 -0.83 117.35 118.35 2kdb s TYR 71 Ca 0.00 0.26 -0.30 0.00 -1.41 0.00 0.00 57.07 55.61 2kdb s TYR 71 Cb 0.00 0.33 0.12 0.00 -1.10 0.00 0.00 41.96 41.32 2kdb s TYR 71 CO 0.00 -0.68 0.97 -1.01 -2.51 0.00 0.00 175.55 172.32 2kdb s HIS 72 N -3.02 -0.39 -0.15 -3.49 3.76 -0.86 -4.72 115.29 106.42 2kdb s HIS 72 Ca -0.02 0.63 -0.03 0.00 -0.15 0.00 0.00 55.06 55.49 2kdb s HIS 72 Cb 0.00 0.45 -0.03 0.00 1.11 0.00 0.00 32.58 34.12 2kdb s HIS 72 CO -0.06 -0.37 -0.05 0.00 -0.85 0.00 0.00 174.74 173.41 2kdb s MET 73 N -1.25 3.63 -0.04 1.40 0.23 -1.26 -0.40 119.30 121.60 2kdb s MET 73 Ca -0.02 -0.54 0.01 0.00 -1.03 0.00 0.00 55.69 54.11 2kdb s MET 73 Cb -0.00 -2.88 0.02 0.00 -1.53 0.00 0.00 34.83 30.44 2kdb s MET 73 CO 0.01 0.25 -0.03 0.08 -2.03 0.00 0.00 175.02 173.31 2kdb s VAL 74 N 0.33 0.41 -0.86 5.16 1.01 -0.47 -4.77 120.40 121.20 2kdb s VAL 74 Ca -0.05 -0.03 -0.25 0.00 0.00 0.00 0.00 61.98 61.65 2kdb s VAL 74 Cb -0.14 -0.47 0.04 0.00 0.00 0.00 0.00 36.38 35.80 2kdb s VAL 74 CO 0.03 0.21 1.36 -1.00 0.00 0.00 0.00 175.10 175.70 2kdb s HIS 75 N 1.08 2.38 -0.66 5.22 3.76 0.53 -1.74 115.29 125.86 2kdb s HIS 75 Ca -0.09 -0.39 -0.26 0.00 -0.15 0.00 0.00 55.06 54.17 2kdb s HIS 75 Cb -0.14 -4.65 -0.02 0.00 1.11 0.00 0.00 32.58 28.88 2kdb s HIS 75 CO -0.01 -2.02 1.82 -1.17 -0.85 0.00 0.00 174.74 172.51 2kdb s LEU 76 N 5.46 3.27 0.00 0.89 2.96 0.15 -1.31 118.68 130.09 2kdb s LEU 76 Ca 0.40 0.12 0.31 0.00 -0.22 0.00 0.00 54.13 54.74 2kdb s LEU 76 Cb -0.04 -2.54 1.69 0.00 0.50 0.00 0.00 46.19 45.80 2kdb s LEU 76 CO 0.04 -2.37 2.11 0.55 -1.32 0.00 0.00 176.35 175.35