#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 4.99 -0.71 -1.45 1.01 0.04 -4.84 120.40 119.44 2kdb s VAL 2 Ca 0.00 0.33 -0.26 0.00 0.00 0.00 0.00 61.98 62.05 2kdb s VAL 2 Cb 0.00 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 2kdb s VAL 2 CO 0.00 -0.26 1.69 -0.89 0.00 0.00 0.00 175.10 175.64 2kdb s THR 3 N 2.45 3.50 -0.65 3.92 2.01 -0.07 -2.14 115.64 124.66 2kdb s THR 3 Ca 0.19 0.12 -0.20 0.00 0.31 0.00 0.00 61.69 62.11 2kdb s THR 3 Cb -0.15 -4.29 0.10 0.00 0.01 0.00 0.00 72.50 68.17 2kdb s THR 3 CO 0.14 -1.24 0.83 -0.22 -0.69 0.00 0.00 174.62 173.44 2kdb s LEU 4 N 8.04 5.04 -0.81 4.42 2.96 -0.39 -1.78 118.68 136.17 2kdb s LEU 4 Ca 0.57 -1.36 -0.23 0.00 -0.22 0.00 0.00 54.13 52.89 2kdb s LEU 4 Cb -0.10 -2.35 0.07 0.00 0.50 0.00 0.00 46.19 44.31 2kdb s LEU 4 CO 0.14 -1.22 1.19 -0.63 -1.32 0.00 0.00 176.35 174.51 2kdb s ILE 5 N 3.12 4.14 -0.68 6.68 1.01 -0.37 -1.56 121.20 133.54 2kdb s ILE 5 Ca 0.17 -0.44 -0.25 0.00 0.00 0.00 0.00 60.65 60.13 2kdb s ILE 5 Cb -0.20 -4.85 0.04 0.00 0.01 0.00 0.00 42.46 37.47 2kdb s ILE 5 CO 0.06 -1.68 1.13 -0.63 0.00 0.00 0.00 174.94 173.82 2kdb s ILE 6 N 4.49 4.01 -0.26 2.92 -1.09 -0.13 -0.97 121.20 130.18 2kdb s ILE 6 Ca 0.33 0.18 -0.15 0.00 -2.23 0.00 0.00 60.65 58.77 2kdb s ILE 6 Cb -0.09 -4.79 -0.04 0.00 -1.58 0.00 0.00 42.46 35.97 2kdb s ILE 6 CO 0.04 -1.61 0.37 -0.54 -1.23 0.00 0.00 174.94 171.97 2kdb s LYS 7 N 4.94 4.03 0.64 2.79 1.02 -0.52 -1.25 119.74 131.39 2kdb s LYS 7 Ca 0.31 0.05 -0.17 0.00 0.02 0.00 0.00 55.97 56.17 2kdb s LYS 7 Cb -0.11 -3.65 -0.01 0.00 -0.52 0.00 0.00 37.83 33.54 2kdb s LYS 7 CO 0.15 -0.26 1.18 0.00 -0.92 0.00 0.00 175.35 175.50 2kdb s ALA 8 N 2.01 2.44 0.14 5.17 0.00 -1.26 -0.64 121.76 129.61 2kdb s ALA 8 Ca 0.15 0.86 -0.15 0.00 0.00 0.00 0.00 51.96 52.82 2kdb s ALA 8 Cb -0.16 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2kdb s ALA 8 CO 0.10 -1.32 1.67 -1.00 0.00 0.00 0.00 175.76 175.20 2kdb h PRO 9 N 0.45 0.66 0.00 0.00 0.13 -1.90 -1.92 132.00 129.42 2kdb h PRO 9 Ca -0.49 -0.14 -0.05 0.00 -0.87 0.00 0.00 66.00 64.46 2kdb h PRO 9 Cb 1.28 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2kdb h PRO 9 CO 0.54 0.64 -0.22 -0.97 -0.23 0.00 0.00 178.00 177.76 2kdb h ASN 10 N 0.55 0.00 -0.63 1.44 -1.24 -1.93 -3.48 115.58 110.29 2kdb h ASN 10 Ca 0.14 0.00 -0.25 0.00 0.71 0.00 0.00 56.30 56.90 2kdb h ASN 10 Cb 0.24 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 39.20 2kdb h ASN 10 CO -0.01 0.22 -0.23 1.67 -1.29 0.00 0.00 177.43 177.79 2kdb n GLN 11 N -3.17 -0.86 0.12 6.67 7.27 -0.72 -4.89 117.38 121.79 2kdb n GLN 11 Ca 0.03 0.92 -0.03 0.00 0.07 0.00 0.00 57.00 57.99 2kdb n GLN 11 Cb 0.59 -4.94 0.16 0.00 2.41 0.00 0.00 30.24 28.46 2kdb n GLN 11 CO 0.00 0.00 0.00 1.57 0.07 0.00 0.00 177.06 178.70 2kdb h LYS 12 N 0.00 0.10 -6.75 3.69 2.10 -1.92 -3.42 116.57 110.37 2kdb h LYS 12 Ca -0.25 -0.07 -0.49 0.00 -2.00 0.00 0.00 60.65 57.84 2kdb h LYS 12 Cb 0.82 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.13 2kdb h LYS 12 CO 0.37 0.66 0.28 0.71 -2.00 0.00 0.00 179.45 179.46 2kdb s TYR 13 N -3.72 3.77 0.63 0.07 2.02 -1.26 -5.07 117.35 113.79 2kdb s TYR 13 Ca -0.02 1.71 -0.17 0.00 -0.37 0.00 0.00 57.07 58.22 2kdb s TYR 13 Cb 0.13 -2.85 -0.02 0.00 -0.40 0.00 0.00 41.96 38.82 2kdb s TYR 13 CO 0.77 0.33 1.16 0.45 -1.57 0.00 0.00 175.55 176.70 2kdb s SER 14 N -1.47 5.09 -0.63 2.29 0.15 -1.26 -4.37 113.70 113.49 2kdb s SER 14 Ca 0.45 2.23 -0.26 0.00 0.70 0.00 0.00 55.95 59.07 2kdb s SER 14 Cb -0.20 -2.58 -0.09 0.00 -1.71 0.00 0.00 66.02 61.44 2kdb s SER 14 CO 0.25 -1.65 2.32 1.51 1.20 0.00 0.00 173.24 176.87 2kdb s ASP 15 N -1.99 4.38 -0.59 5.45 -4.77 -1.26 -4.73 116.67 113.15 2kdb s ASP 15 Ca 0.73 0.53 -0.28 0.00 -3.30 0.00 0.00 52.55 50.23 2kdb s ASP 15 Cb -0.26 -2.52 0.03 0.00 -1.09 0.00 0.00 42.92 39.08 2kdb s ASP 15 CO 0.36 -3.17 1.19 -1.58 0.70 0.00 0.00 175.17 172.68 2kdb s GLN 16 N 8.27 3.49 -0.78 2.11 2.00 -0.38 -4.74 119.66 129.64 2kdb s GLN 16 Ca 0.91 0.21 -0.26 0.00 -2.00 0.00 0.00 55.36 54.22 2kdb s GLN 16 Cb -0.14 -4.02 0.03 0.00 0.80 0.00 0.00 33.01 29.67 2kdb s GLN 16 CO 0.17 -1.70 1.35 0.95 -0.50 0.00 0.00 175.29 175.56 2kdb s THR 17 N 4.98 3.73 -0.21 -0.34 -4.23 -1.26 -0.95 115.64 117.36 2kdb s THR 17 Ca 0.42 0.20 -0.17 0.00 -1.18 0.00 0.00 61.69 60.96 2kdb s THR 17 Cb -0.08 -4.88 -0.03 0.00 1.34 0.00 0.00 72.50 68.85 2kdb s THR 17 CO 0.25 -1.81 0.47 -0.63 -0.54 0.00 0.00 174.62 172.35 2kdb s ILE 18 N 5.86 5.14 -0.59 2.99 -1.09 -0.60 -4.88 121.20 128.03 2kdb s ILE 18 Ca 0.39 0.84 -0.28 0.00 -2.23 0.00 0.00 60.65 59.37 2kdb s ILE 18 Cb -0.07 -3.79 0.01 0.00 -1.58 0.00 0.00 42.46 37.03 2kdb s ILE 18 CO 0.11 0.20 1.47 -0.44 -1.23 0.00 0.00 174.94 175.05 2kdb s SER 19 N 1.15 6.00 0.28 3.58 0.01 -1.26 -1.26 113.70 122.20 2kdb s SER 19 Ca 0.22 0.19 0.05 0.00 1.31 0.00 0.00 55.95 57.71 2kdb s SER 19 Cb -0.15 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.51 2kdb s SER 19 CO 0.09 -1.83 0.18 0.00 0.41 0.00 0.00 173.24 172.08 2kdb s PHE 21 N -2.93 1.55 -2.07 0.00 5.36 -1.26 -0.78 117.98 117.84 2kdb s PHE 21 Ca 0.25 -1.20 0.25 0.00 -0.96 0.00 0.00 56.93 55.26 2kdb s PHE 21 Cb 0.01 -0.90 1.37 0.00 -0.34 0.00 0.00 43.02 43.17 2kdb s PHE 21 CO 0.18 -0.36 1.90 1.28 -1.46 0.00 0.00 175.22 176.76 2kdb n LEU 22 N -0.48 0.30 -0.06 6.12 4.77 -1.26 -4.32 117.00 122.06 2kdb n LEU 22 Ca 0.00 -0.11 -0.08 0.00 -0.03 0.00 0.00 56.01 55.79 2kdb n LEU 22 Cb 0.66 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.72 2kdb n LEU 22 CO 0.37 0.06 0.68 -1.13 -1.33 0.00 0.00 177.39 176.03 2kdb h ASN 23 N 0.43 -0.88 -2.54 -1.43 -1.24 -2.03 -3.42 115.58 104.47 2kdb h ASN 23 Ca 0.00 0.16 -0.44 0.00 0.71 0.00 0.00 56.30 56.73 2kdb h ASN 23 Cb 0.09 0.41 0.05 0.00 0.73 0.00 0.00 38.32 39.60 2kdb h ASN 23 CO 0.00 -0.30 -0.04 0.26 -1.29 0.00 0.00 177.43 176.06 2kdb s TRP 24 N -6.05 2.88 0.93 0.67 0.51 -1.26 -5.05 118.94 111.56 2kdb s TRP 24 Ca -0.15 0.01 -0.15 0.00 -2.12 0.00 0.00 56.10 53.69 2kdb s TRP 24 Cb 0.12 -2.73 0.17 0.00 -0.81 0.00 0.00 33.47 30.23 2kdb s TRP 24 CO 0.68 -0.85 1.29 0.95 -0.51 0.00 0.00 176.95 178.51 2kdb s THR 25 N -2.75 2.00 0.38 2.01 -4.23 -1.26 -3.95 115.64 107.84 2kdb s THR 25 Ca 0.57 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 61.15 2kdb s THR 25 Cb -0.10 -2.99 0.30 0.00 1.34 0.00 0.00 72.50 71.04 2kdb s THR 25 CO 0.38 0.00 1.97 0.58 -0.54 0.00 0.00 174.62 177.02 2kdb h VAL 26 N -1.51 1.00 -0.02 2.29 2.07 -1.67 -2.00 116.25 116.40 2kdb h VAL 26 Ca -0.45 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 2kdb h VAL 26 Cb 1.26 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2kdb h VAL 26 CO 0.45 0.12 -0.09 1.23 0.02 0.00 0.00 177.57 179.29 2kdb h GLY 27 N 0.66 0.11 1.17 2.17 0.00 -1.85 -0.60 103.07 104.73 2kdb h GLY 27 Ca 0.29 -0.15 -0.09 0.00 0.00 0.00 0.00 47.33 47.37 2kdb h GLY 27 CO -0.09 0.14 -0.01 0.50 0.00 0.00 0.00 176.54 177.08 2kdb h LYS 28 N -0.51 0.99 -0.39 4.80 6.56 -1.87 -1.49 116.57 124.66 2kdb h LYS 28 Ca -0.01 -0.31 -0.13 0.00 -1.06 0.00 0.00 60.65 59.15 2kdb h LYS 28 Cb 0.75 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 32.31 2kdb h LYS 28 CO 0.02 0.98 -0.29 1.25 -2.06 0.00 0.00 179.45 179.35 2kdb h LEU 29 N 0.91 0.87 -1.44 2.94 7.12 -1.44 -2.39 115.31 121.86 2kdb h LEU 29 Ca 0.16 -0.35 -0.05 0.00 0.13 0.00 0.00 57.88 57.77 2kdb h LEU 29 Cb 0.54 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 40.42 2kdb h LEU 29 CO 0.03 1.10 -0.16 0.50 -0.13 0.00 0.00 178.44 179.77 2kdb h LYS 30 N 0.71 0.17 -0.39 1.25 3.64 -0.75 0.73 116.57 121.93 2kdb h LYS 30 Ca 0.08 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 2kdb h LYS 30 Cb 0.84 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 2kdb h LYS 30 CO 0.07 0.33 -0.06 1.15 -2.27 0.00 0.00 179.45 178.67 2kdb h THR 31 N 0.16 1.27 -0.91 1.00 2.02 -1.08 -0.40 112.91 114.97 2kdb h THR 31 Ca 0.03 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.09 2kdb h THR 31 Cb 0.38 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 2kdb h THR 31 CO 0.02 0.38 0.59 -0.74 0.37 0.00 0.00 175.52 176.14 2kdb h HIS 32 N 0.53 1.17 -0.25 3.16 -0.00 -0.83 -1.54 115.15 117.39 2kdb h HIS 32 Ca 0.10 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.48 2kdb h HIS 32 Cb 0.57 -0.39 -0.01 0.00 -0.00 0.00 0.00 27.41 27.58 2kdb h HIS 32 CO 0.05 0.75 0.12 -0.07 -0.00 0.00 0.00 177.93 178.77 2kdb h LEU 33 N 1.24 0.32 -1.79 0.26 3.38 -0.75 -1.80 115.31 116.17 2kdb h LEU 33 Ca 0.33 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 2kdb h LEU 33 Cb -0.12 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 2kdb h LEU 33 CO -0.07 0.35 -0.14 -1.28 0.09 0.00 0.00 178.44 177.39 2kdb h SER 34 N 0.27 0.00 1.11 -0.43 0.87 -0.69 0.23 113.55 114.91 2kdb h SER 34 Ca 0.09 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.50 2kdb h SER 34 Cb 0.11 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 2kdb h SER 34 CO -0.01 0.14 -0.93 0.78 -0.53 0.00 0.00 176.83 176.28 2kdb h ASN 35 N 0.00 0.00 -0.00 6.23 2.35 -1.04 -3.35 115.58 119.76 2kdb h ASN 35 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2kdb h ASN 35 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 2kdb h ASN 35 CO 0.02 0.61 -0.73 1.33 -1.65 0.00 0.00 177.43 177.01 2kdb n VAL 36 N -3.12 0.00 -3.25 2.81 0.24 -0.70 -4.96 118.33 109.35 2kdb n VAL 36 Ca -0.03 -0.14 -0.38 0.00 -2.04 0.00 0.00 64.34 61.75 2kdb n VAL 36 Cb 0.81 1.06 -0.06 0.00 -1.47 0.00 0.00 33.84 34.19 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 -2.56 3.54 0.51 6.34 5.04 0.73 -4.98 117.35 125.97 2kdb s TYR 37 Ca 0.09 0.99 0.35 0.00 -2.44 0.00 0.00 57.07 56.06 2kdb s TYR 37 Cb 0.14 -2.61 1.89 0.00 0.35 0.00 0.00 41.96 41.73 2kdb s TYR 37 CO 0.67 0.16 2.22 -1.00 -1.34 0.00 0.00 175.55 176.26 2kdb h PRO 38 N 6.65 0.00 -0.03 4.97 0.13 -1.90 -1.90 132.00 139.92 2kdb h PRO 38 Ca -0.41 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.61 2kdb h PRO 38 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2kdb h PRO 38 CO 0.75 0.03 -0.48 1.03 -0.23 0.00 0.00 178.00 179.11 2kdb h SER 39 N 0.00 0.07 -5.92 1.44 0.87 -1.94 -3.48 113.55 104.60 2kdb h SER 39 Ca -0.00 -0.03 -0.24 0.00 -1.23 0.00 0.00 61.79 60.29 2kdb h SER 39 Cb 0.15 -0.02 0.04 0.00 -0.44 0.00 0.00 62.40 62.13 2kdb h SER 39 CO 0.00 0.54 -0.56 0.29 -0.53 0.00 0.00 176.83 176.58 2kdb n LYS 40 N -3.97 -1.43 -0.27 2.24 4.76 -0.72 -5.04 118.16 113.73 2kdb n LYS 40 Ca -0.02 1.03 0.00 0.00 -2.87 0.00 0.00 58.31 56.45 2kdb n LYS 40 Cb 0.50 -4.52 0.00 0.00 -1.84 0.00 0.00 35.03 29.17 2kdb n LYS 40 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2kdb n PRO 41 N -2.64 1.03 -4.67 1.97 -0.04 -1.26 -5.10 135.00 124.29 2kdb n PRO 41 Ca -0.11 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.02 2kdb n PRO 41 Cb 0.58 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.88 2kdb n PRO 41 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kdb s LEU 42 N 0.00 2.31 0.49 1.53 1.43 -1.26 -4.97 118.68 118.22 2kdb s LEU 42 Ca 0.00 -0.52 0.33 0.00 -1.03 0.00 0.00 54.13 52.91 2kdb s LEU 42 Cb 0.00 -1.51 1.62 0.00 0.03 0.00 0.00 46.19 46.34 2kdb s LEU 42 CO 0.00 0.10 2.00 0.71 0.23 0.00 0.00 176.35 179.39 2kdb h THR 43 N 5.72 0.00 -0.08 5.49 1.35 -1.91 -1.39 112.91 122.09 2kdb h THR 43 Ca -0.31 -0.18 -0.17 0.00 -0.55 0.00 0.00 66.41 65.20 2kdb h THR 43 Cb 1.20 1.03 -0.01 0.00 -1.73 0.00 0.00 68.15 68.64 2kdb h THR 43 CO 0.55 0.00 -0.67 0.07 -0.25 0.00 0.00 175.52 175.22 2kdb h LYS 44 N 0.00 0.35 0.08 4.72 2.10 -2.01 -3.33 116.57 118.49 2kdb h LYS 44 Ca 0.00 -0.26 -0.27 0.00 -2.00 0.00 0.00 60.65 58.11 2kdb h LYS 44 Cb 0.21 0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.57 2kdb h LYS 44 CO 0.00 0.89 -1.45 -0.44 -2.00 0.00 0.00 179.45 176.45 2kdb h ASP 45 N 0.24 0.28 -3.28 7.07 3.32 -1.71 -3.46 116.42 118.88 2kdb h ASP 45 Ca -0.02 -0.79 -0.54 0.00 0.02 0.00 0.00 57.03 55.70 2kdb h ASP 45 Cb 1.22 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 2kdb h ASP 45 CO 0.11 1.62 0.50 -1.10 -1.72 0.00 0.00 179.24 178.65 2kdb s GLN 46 N -2.46 4.47 0.06 3.56 -1.52 -0.61 -4.92 119.66 118.25 2kdb s GLN 46 Ca -0.23 1.55 0.04 0.00 -1.95 0.00 0.00 55.36 54.77 2kdb s GLN 46 Cb 0.05 -3.46 -0.03 0.00 -0.22 0.00 0.00 33.01 29.35 2kdb s GLN 46 CO 0.72 -0.21 -0.13 1.03 -0.25 0.00 0.00 175.29 176.45 2kdb s ARG 47 N 1.37 0.76 -0.21 2.91 0.52 -0.67 -4.74 118.95 118.88 2kdb s ARG 47 Ca 0.54 -0.88 -0.09 0.00 -0.52 0.00 0.00 55.73 54.77 2kdb s ARG 47 Cb -0.23 -0.71 -0.05 0.00 0.52 0.00 0.00 34.95 34.48 2kdb s ARG 47 CO 0.26 0.16 0.12 -0.51 0.02 0.00 0.00 175.30 175.34 2kdb s LEU 48 N -1.63 3.98 -0.17 2.53 1.43 -1.26 -1.68 118.68 121.88 2kdb s LEU 48 Ca -0.03 0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 2kdb s LEU 48 Cb -0.10 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 44.11 2kdb s LEU 48 CO 0.02 0.12 -0.14 -0.69 0.23 0.00 0.00 176.35 175.89 2kdb s VAL 49 N 0.74 1.69 -0.36 -1.59 1.01 -0.16 -1.06 120.40 120.68 2kdb s VAL 49 Ca 0.06 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 2kdb s VAL 49 Cb -0.13 -1.65 0.06 0.00 0.00 0.00 0.00 36.38 34.67 2kdb s VAL 49 CO 0.02 0.36 0.13 -0.47 0.00 0.00 0.00 175.10 175.14 2kdb s TYR 50 N 1.41 3.35 -1.54 5.22 5.04 -0.14 -0.84 117.35 129.85 2kdb s TYR 50 Ca 0.02 -1.76 0.00 0.00 -2.44 0.00 0.00 57.07 52.89 2kdb s TYR 50 Cb -0.14 -2.58 0.00 0.00 0.35 0.00 0.00 41.96 39.59 2kdb s TYR 50 CO -0.10 -0.82 0.00 0.45 -1.34 0.00 0.00 175.55 173.74 2kdb n SER 51 N 4.74 -5.00 0.00 4.32 2.88 -1.26 -1.95 113.62 117.35 2kdb n SER 51 Ca -0.10 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 2kdb n SER 51 Cb 0.43 -3.78 0.00 0.00 -0.75 0.00 0.00 64.21 60.11 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 -0.86 2.17 3.88 0.46 0.00 -1.26 -5.11 105.19 104.48 2kdb n GLY 52 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.27 3.68 0.12 1.61 1.70 -0.82 -5.09 118.95 119.88 2kdb s ARG 53 Ca 0.00 0.03 -0.26 0.00 -0.47 0.00 0.00 55.73 55.03 2kdb s ARG 53 Cb 0.00 -2.94 -0.07 0.00 -0.57 0.00 0.00 34.95 31.37 2kdb s ARG 53 CO 0.00 0.53 0.80 -1.17 -1.08 0.00 0.00 175.30 174.38 2kdb s LEU 54 N -2.21 4.54 -0.58 -1.89 1.98 -1.26 -0.97 118.68 118.28 2kdb s LEU 54 Ca 0.36 1.62 -0.15 0.00 -2.89 0.00 0.00 54.13 53.06 2kdb s LEU 54 Cb -0.13 -3.33 0.14 0.00 0.66 0.00 0.00 46.19 43.54 2kdb s LEU 54 CO 0.20 0.11 0.54 -0.76 -1.89 0.00 0.00 176.35 174.55 2kdb s LEU 55 N -0.66 6.26 0.39 -0.68 1.43 -0.23 -4.93 118.68 120.27 2kdb s LEU 55 Ca 0.38 -1.95 -0.24 0.00 -1.03 0.00 0.00 54.13 51.30 2kdb s LEU 55 Cb -0.22 -2.20 -0.10 0.00 0.03 0.00 0.00 46.19 43.70 2kdb s LEU 55 CO 0.26 -0.80 1.00 -2.16 0.23 0.00 0.00 176.35 174.87 2kdb s PRO 56 N 1.35 4.26 0.11 1.29 0.04 -1.26 -4.55 135.00 136.24 2kdb s PRO 56 Ca 0.06 1.36 0.21 0.00 0.04 0.00 0.00 61.00 62.67 2kdb s PRO 56 Cb -0.27 -2.49 0.85 0.00 0.04 0.00 0.00 34.50 32.63 2kdb s PRO 56 CO 0.01 -0.03 1.65 -0.40 0.04 0.00 0.00 177.00 178.27 2kdb n ASP 57 N -0.11 0.32 0.20 6.66 5.75 -1.26 -2.97 116.55 125.15 2kdb n ASP 57 Ca 0.05 0.57 0.09 0.00 -0.01 0.00 0.00 54.79 55.49 2kdb n ASP 57 Cb 0.51 -0.64 0.29 0.00 -1.03 0.00 0.00 41.12 40.25 2kdb n ASP 57 CO 0.00 0.00 0.00 1.12 -0.11 0.00 0.00 177.20 178.21 2kdb h HIS 58 N 0.00 0.00 -1.91 2.11 2.07 -1.99 -3.36 115.15 112.07 2kdb h HIS 58 Ca 0.00 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 57.00 2kdb h HIS 58 Cb 0.38 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.30 2kdb h HIS 58 CO 0.00 0.23 -0.51 -0.48 -3.07 0.00 0.00 177.93 174.10 2kdb s LEU 59 N -6.49 3.42 0.37 6.12 0.05 -1.16 -5.03 118.68 115.96 2kdb s LEU 59 Ca 0.03 -0.63 -0.09 0.00 0.05 0.00 0.00 54.13 53.49 2kdb s LEU 59 Cb 0.08 -1.95 -0.06 0.00 -2.05 0.00 0.00 46.19 42.21 2kdb s LEU 59 CO 0.67 -0.28 0.71 -1.10 -0.55 0.00 0.00 176.35 175.79 2kdb s GLN 60 N -3.89 3.74 0.40 1.48 1.11 -1.26 -2.62 119.66 118.62 2kdb s GLN 60 Ca 0.38 0.33 0.08 0.00 0.01 0.00 0.00 55.36 56.17 2kdb s GLN 60 Cb -0.04 -2.46 0.86 0.00 -1.01 0.00 0.00 33.01 30.35 2kdb s GLN 60 CO 0.24 0.04 2.00 -0.07 0.01 0.00 0.00 175.29 177.51 2kdb h LEU 61 N 1.38 0.52 -1.35 2.90 3.38 -1.83 -2.60 115.31 117.70 2kdb h LEU 61 Ca -0.47 -0.00 0.16 0.00 0.09 0.00 0.00 57.88 57.66 2kdb h LEU 61 Cb 1.19 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.75 2kdb h LEU 61 CO 0.64 0.34 0.58 0.07 0.09 0.00 0.00 178.44 180.17 2kdb h LYS 62 N 0.59 0.57 -0.01 1.13 5.09 -1.88 -1.69 116.57 120.38 2kdb h LYS 62 Ca 0.24 -0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.95 2kdb h LYS 62 Cb 0.21 -0.13 -0.00 0.00 0.10 0.00 0.00 32.23 32.41 2kdb h LYS 62 CO -0.07 0.38 0.01 0.22 -2.09 0.00 0.00 179.45 177.90 2kdb h ASP 63 N 0.59 0.00 0.00 7.07 3.58 -1.87 0.83 116.42 126.63 2kdb h ASP 63 Ca 0.46 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.55 2kdb h ASP 63 Cb 0.87 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.86 2kdb h ASP 63 CO -0.20 0.00 -2.37 -0.38 -2.88 0.00 0.00 179.24 173.41 2kdb n ILE 64 N -4.14 1.38 0.92 2.25 -0.00 -0.84 -4.61 119.36 114.32 2kdb n ILE 64 Ca -0.03 -0.62 0.12 0.00 -0.00 0.00 0.00 62.75 62.22 2kdb n ILE 64 Cb 0.10 -1.09 0.29 0.00 -0.00 0.00 0.00 39.64 38.94 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 -3.06 0.47 0.33 1.39 4.77 -0.69 -4.23 117.00 115.97 2kdb n LEU 65 Ca -0.40 0.12 0.14 0.00 -0.03 0.00 0.00 56.01 55.84 2kdb n LEU 65 Cb 1.01 -0.27 0.74 0.00 -2.33 0.00 0.00 43.42 42.57 2kdb n LEU 65 CO 0.30 0.07 1.12 -0.09 -1.33 0.00 0.00 177.39 177.45 2kdb h ARG 66 N 0.00 0.00 0.11 3.23 1.12 -1.11 -1.30 114.38 116.44 2kdb h ARG 66 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.86 2kdb h ARG 66 Cb 0.55 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.51 2kdb h ARG 66 CO 0.00 0.00 -0.06 0.87 -3.11 0.00 0.00 179.97 177.67 2kdb h LYS 67 N 0.00 -0.15 -0.06 0.20 1.57 -1.86 -3.38 116.57 112.89 2kdb h LYS 67 Ca 0.01 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2kdb h LYS 67 Cb 0.81 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2kdb h LYS 67 CO -0.00 -0.10 0.00 1.04 -0.57 0.00 0.00 179.45 179.82 2kdb n GLN 68 N -2.48 0.82 -0.49 3.15 6.02 -1.16 -5.07 117.38 118.16 2kdb n GLN 68 Ca -0.02 -1.26 -0.18 0.00 -0.01 0.00 0.00 57.00 55.53 2kdb n GLN 68 Cb 0.06 -1.21 -0.05 0.00 1.02 0.00 0.00 30.24 30.06 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 0.57 0.19 0.08 1.08 2.03 -0.50 -4.64 116.55 115.36 2kdb n ASP 69 Ca 0.07 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.53 2kdb n ASP 69 Cb 0.29 -0.33 0.00 0.00 -0.72 0.00 0.00 41.12 40.36 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 2.88 0.00 -4.01 -0.67 4.07 -1.26 -5.03 120.64 116.62 2kdb n GLU 70 Ca 0.22 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 57.17 2kdb n GLU 70 Cb -0.00 0.00 -0.15 0.00 -0.06 0.00 0.00 31.44 31.23 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 -1.44 0.29 -0.11 4.31 1.13 -1.26 -0.90 117.35 119.36 2kdb s TYR 71 Ca 0.00 -0.04 -0.05 0.00 -1.41 0.00 0.00 57.07 55.58 2kdb s TYR 71 Cb 0.00 -0.25 0.06 0.00 -1.10 0.00 0.00 41.96 40.66 2kdb s TYR 71 CO 0.00 -0.04 0.24 -1.01 -2.51 0.00 0.00 175.55 172.23 2kdb s HIS 72 N 0.27 -0.35 -0.75 -3.49 3.76 -0.73 -4.99 115.29 109.01 2kdb s HIS 72 Ca -0.02 0.85 -0.25 0.00 -0.15 0.00 0.00 55.06 55.49 2kdb s HIS 72 Cb -0.05 -0.04 0.05 0.00 1.11 0.00 0.00 32.58 33.65 2kdb s HIS 72 CO -0.01 -0.30 1.19 0.00 -0.85 0.00 0.00 174.74 174.78 2kdb s MET 73 N 1.96 3.22 -0.20 1.40 0.23 -1.26 -1.23 119.30 123.42 2kdb s MET 73 Ca -0.03 -0.59 -0.08 0.00 -1.03 0.00 0.00 55.69 53.97 2kdb s MET 73 Cb -0.11 -4.35 -0.04 0.00 -1.53 0.00 0.00 34.83 28.80 2kdb s MET 73 CO -0.08 -2.03 0.08 0.08 -2.03 0.00 0.00 175.02 171.04 2kdb s VAL 74 N 4.99 4.90 -0.43 5.16 1.01 -0.14 -4.67 120.40 131.21 2kdb s VAL 74 Ca 0.32 0.01 -0.26 0.00 0.00 0.00 0.00 61.98 62.05 2kdb s VAL 74 Cb -0.10 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 33.08 2kdb s VAL 74 CO 0.10 0.44 0.93 -1.00 0.00 0.00 0.00 175.10 175.57 2kdb s HIS 75 N 0.54 2.97 0.55 5.22 3.76 -0.02 -1.43 115.29 126.87 2kdb s HIS 75 Ca 0.04 0.52 -0.19 0.00 -0.15 0.00 0.00 55.06 55.28 2kdb s HIS 75 Cb -0.13 -3.89 -0.05 0.00 1.11 0.00 0.00 32.58 29.62 2kdb s HIS 75 CO 0.01 -1.02 1.15 -1.17 -0.85 0.00 0.00 174.74 172.85 2kdb s LEU 76 N 3.69 3.74 0.00 0.89 2.96 0.19 -0.98 118.68 129.17 2kdb s LEU 76 Ca 0.38 2.23 0.00 0.00 -0.22 0.00 0.00 54.13 56.51 2kdb s LEU 76 Cb -0.11 -4.57 0.00 0.00 0.50 0.00 0.00 46.19 42.01 2kdb s LEU 76 CO 0.24 -1.28 0.00 0.55 -1.32 0.00 0.00 176.35 174.54