#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 5.14 -0.61 0.52 1.01 -0.25 -4.83 120.40 121.38 2kdb s VAL 2 Ca 0.00 0.94 -0.24 0.00 0.00 0.00 0.00 61.98 62.69 2kdb s VAL 2 Cb 0.00 -3.83 0.05 0.00 0.00 0.00 0.00 36.38 32.61 2kdb s VAL 2 CO 0.00 0.23 0.97 -0.89 0.00 0.00 0.00 175.10 175.41 2kdb s THR 3 N 1.27 4.32 -0.63 3.92 2.01 -0.15 -1.17 115.64 125.22 2kdb s THR 3 Ca 0.24 0.01 -0.17 0.00 0.31 0.00 0.00 61.69 62.08 2kdb s THR 3 Cb -0.15 -4.63 0.13 0.00 0.01 0.00 0.00 72.50 67.86 2kdb s THR 3 CO 0.10 -1.31 0.68 -0.22 -0.69 0.00 0.00 174.62 173.17 2kdb s LEU 4 N 4.12 5.79 -0.76 4.42 2.96 -0.33 -1.24 118.68 133.64 2kdb s LEU 4 Ca 0.27 -1.74 -0.23 0.00 -0.22 0.00 0.00 54.13 52.21 2kdb s LEU 4 Cb -0.14 -2.27 0.07 0.00 0.50 0.00 0.00 46.19 44.35 2kdb s LEU 4 CO 0.15 -0.97 1.11 -0.63 -1.32 0.00 0.00 176.35 174.69 2kdb s ILE 5 N 2.04 4.22 -0.77 6.68 1.01 -0.28 -1.37 121.20 132.73 2kdb s ILE 5 Ca 0.11 -0.44 -0.26 0.00 0.00 0.00 0.00 60.65 60.05 2kdb s ILE 5 Cb -0.23 -4.79 0.03 0.00 0.01 0.00 0.00 42.46 37.49 2kdb s ILE 5 CO 0.02 -1.60 1.29 -0.63 0.00 0.00 0.00 174.94 174.02 2kdb s ILE 6 N 4.28 3.77 -0.36 2.92 -1.09 0.26 -1.11 121.20 129.87 2kdb s ILE 6 Ca 0.29 0.23 -0.17 0.00 -2.23 0.00 0.00 60.65 58.78 2kdb s ILE 6 Cb -0.11 -4.93 -0.00 0.00 -1.58 0.00 0.00 42.46 35.84 2kdb s ILE 6 CO 0.06 -1.85 0.44 -0.54 -1.23 0.00 0.00 174.94 171.81 2kdb s LYS 7 N 5.57 3.50 0.40 2.79 1.02 -0.71 -1.60 119.74 130.71 2kdb s LYS 7 Ca 0.36 -0.38 -0.26 0.00 0.02 0.00 0.00 55.97 55.70 2kdb s LYS 7 Cb -0.07 -3.84 -0.09 0.00 -0.52 0.00 0.00 37.83 33.31 2kdb s LYS 7 CO 0.12 -0.64 1.36 0.00 -0.92 0.00 0.00 175.35 175.28 2kdb s ALA 8 N 2.19 3.33 0.28 5.17 0.00 -1.26 -1.33 121.76 130.14 2kdb s ALA 8 Ca 0.15 1.35 -0.04 0.00 0.00 0.00 0.00 51.96 53.42 2kdb s ALA 8 Cb -0.16 -3.53 0.36 0.00 0.00 0.00 0.00 23.12 19.79 2kdb s ALA 8 CO 0.13 -0.94 1.93 -1.00 0.00 0.00 0.00 175.76 175.88 2kdb h PRO 9 N 2.71 1.15 0.00 0.00 0.13 -1.94 -1.45 132.00 132.60 2kdb h PRO 9 Ca -0.50 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 2kdb h PRO 9 Cb 1.25 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2kdb h PRO 9 CO 0.63 0.79 -0.42 -0.97 -0.23 0.00 0.00 178.00 177.80 2kdb h ASN 10 N 1.18 0.00 -0.38 1.44 -0.00 -1.92 -3.48 115.58 112.42 2kdb h ASN 10 Ca 0.31 -0.03 -0.16 0.00 -0.00 0.00 0.00 56.30 56.41 2kdb h ASN 10 Cb -0.08 0.00 -0.06 0.00 -0.00 0.00 0.00 38.32 38.18 2kdb h ASN 10 CO -0.06 0.02 -0.15 1.67 -0.00 0.00 0.00 177.43 178.91 2kdb n GLN 11 N -2.69 -1.03 0.15 6.67 7.27 -0.55 -4.87 117.38 122.34 2kdb n GLN 11 Ca 0.03 0.70 0.01 0.00 0.07 0.00 0.00 57.00 57.81 2kdb n GLN 11 Cb 0.51 -4.70 0.33 0.00 2.41 0.00 0.00 30.24 28.78 2kdb n GLN 11 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 2kdb h LYS 12 N 0.15 0.09 -5.53 3.69 1.57 -1.93 -3.41 116.57 111.21 2kdb h LYS 12 Ca -0.16 -0.04 -0.61 0.00 -1.87 0.00 0.00 60.65 57.97 2kdb h LYS 12 Cb 0.75 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.96 2kdb h LYS 12 CO 0.24 0.44 -0.38 0.71 -0.57 0.00 0.00 179.45 179.88 2kdb s TYR 13 N -4.25 3.51 0.59 -1.35 1.51 -1.26 -5.09 117.35 111.01 2kdb s TYR 13 Ca -0.04 0.57 -0.18 0.00 -1.01 0.00 0.00 57.07 56.41 2kdb s TYR 13 Cb 0.14 -2.21 -0.04 0.00 -0.11 0.00 0.00 41.96 39.74 2kdb s TYR 13 CO 0.74 0.40 1.16 -1.12 -1.11 0.00 0.00 175.55 175.62 2kdb s SER 14 N -0.04 5.34 -0.22 2.29 0.01 -1.26 -4.15 113.70 115.66 2kdb s SER 14 Ca 0.15 2.25 -0.28 0.00 1.31 0.00 0.00 55.95 59.37 2kdb s SER 14 Cb -0.13 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.47 2kdb s SER 14 CO 0.04 -1.49 2.09 1.51 0.41 0.00 0.00 173.24 175.80 2kdb s ASP 15 N -1.83 5.66 -0.23 2.44 -4.77 -1.26 -4.73 116.67 111.96 2kdb s ASP 15 Ca 0.74 1.81 -0.13 0.00 -3.30 0.00 0.00 52.55 51.67 2kdb s ASP 15 Cb -0.26 -2.52 -0.04 0.00 -1.09 0.00 0.00 42.92 39.01 2kdb s ASP 15 CO 0.32 -1.81 0.27 -1.58 0.70 0.00 0.00 175.17 173.07 2kdb s GLN 16 N 6.00 4.11 -0.79 2.11 2.00 -0.63 -4.84 119.66 127.61 2kdb s GLN 16 Ca 0.94 -0.06 -0.19 0.00 -2.00 0.00 0.00 55.36 54.05 2kdb s GLN 16 Cb -0.31 -3.55 0.12 0.00 0.80 0.00 0.00 33.01 30.07 2kdb s GLN 16 CO 0.35 -0.00 0.97 0.95 -0.50 0.00 0.00 175.29 177.06 2kdb s THR 17 N 1.22 4.74 -0.36 -0.34 -4.23 -1.26 -0.58 115.64 114.83 2kdb s THR 17 Ca 0.13 -1.28 -0.19 0.00 -1.18 0.00 0.00 61.69 59.16 2kdb s THR 17 Cb -0.14 -4.67 0.00 0.00 1.34 0.00 0.00 72.50 69.03 2kdb s THR 17 CO 0.06 -1.38 0.58 -0.63 -0.54 0.00 0.00 174.62 172.72 2kdb s ILE 18 N 2.75 4.94 -0.31 2.99 -1.09 -0.47 -4.84 121.20 125.16 2kdb s ILE 18 Ca 0.25 0.42 -0.29 0.00 -2.23 0.00 0.00 60.65 58.80 2kdb s ILE 18 Cb -0.12 -4.04 -0.01 0.00 -1.58 0.00 0.00 42.46 36.71 2kdb s ILE 18 CO -0.02 -0.31 1.59 -0.94 -1.23 0.00 0.00 174.94 174.03 2kdb s SER 19 N 1.80 6.24 0.00 3.58 1.04 -1.26 -1.18 113.70 123.92 2kdb s SER 19 Ca 0.22 1.27 0.00 0.00 0.48 0.00 0.00 55.95 57.92 2kdb s SER 19 Cb -0.15 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.44 2kdb s SER 19 CO 0.15 -1.43 0.00 0.00 0.98 0.00 0.00 173.24 172.94 2kdb s PHE 21 N -2.23 1.62 -1.06 0.00 0.08 -1.26 -1.09 117.98 114.03 2kdb s PHE 21 Ca 0.00 -0.73 0.28 0.00 0.12 0.00 0.00 56.93 56.60 2kdb s PHE 21 Cb 0.00 -0.85 1.22 0.00 -0.57 0.00 0.00 43.02 42.81 2kdb s PHE 21 CO 0.00 0.18 1.90 1.28 -0.10 0.00 0.00 175.22 178.48 2kdb n LEU 22 N -0.39 0.00 0.02 -0.37 4.77 -1.26 -4.27 117.00 115.50 2kdb n LEU 22 Ca -0.07 0.47 -0.12 0.00 -0.03 0.00 0.00 56.01 56.26 2kdb n LEU 22 Cb 0.62 -0.47 -0.07 0.00 -2.33 0.00 0.00 43.42 41.17 2kdb n LEU 22 CO 0.36 -0.02 0.83 -1.13 -1.33 0.00 0.00 177.39 176.09 2kdb h ASN 23 N 0.00 0.03 -3.95 -1.43 -0.73 -1.97 -2.56 115.58 104.97 2kdb h ASN 23 Ca 0.00 -0.11 -0.44 0.00 1.87 0.00 0.00 56.30 57.62 2kdb h ASN 23 Cb 0.44 -0.01 0.17 0.00 0.27 0.00 0.00 38.32 39.20 2kdb h ASN 23 CO 0.00 0.13 0.42 0.26 -0.37 0.00 0.00 177.43 177.87 2kdb s TRP 24 N -5.76 1.43 0.43 0.67 0.51 -1.26 -4.78 118.94 110.19 2kdb s TRP 24 Ca -0.14 0.28 0.03 0.00 -2.12 0.00 0.00 56.10 54.15 2kdb s TRP 24 Cb 0.05 -4.17 0.00 0.00 -0.81 0.00 0.00 33.47 28.55 2kdb s TRP 24 CO 0.67 -2.77 0.62 0.95 -0.51 0.00 0.00 176.95 175.91 2kdb s THR 25 N -3.90 3.63 0.38 2.01 -4.23 -1.26 -1.67 115.64 110.61 2kdb s THR 25 Ca 0.75 -0.74 0.14 0.00 -1.18 0.00 0.00 61.69 60.66 2kdb s THR 25 Cb -0.03 -3.30 0.35 0.00 1.34 0.00 0.00 72.50 70.86 2kdb s THR 25 CO 0.53 -0.17 1.84 0.58 -0.54 0.00 0.00 174.62 176.86 2kdb h VAL 26 N 0.50 0.71 -0.14 2.29 2.07 -1.58 -1.96 116.25 118.15 2kdb h VAL 26 Ca -0.44 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 2kdb h VAL 26 Cb 1.27 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 2kdb h VAL 26 CO 0.53 0.10 -0.01 1.23 0.02 0.00 0.00 177.57 179.44 2kdb h GLY 27 N 0.53 0.26 0.97 2.17 0.00 -1.69 0.74 103.07 106.06 2kdb h GLY 27 Ca 0.49 -0.20 0.02 0.00 0.00 0.00 0.00 47.33 47.64 2kdb h GLY 27 CO -0.22 0.18 0.66 0.50 0.00 0.00 0.00 176.54 177.66 2kdb h LYS 28 N -0.03 1.29 -0.37 4.80 6.56 -1.70 -2.39 116.57 124.73 2kdb h LYS 28 Ca 0.04 -0.08 -0.11 0.00 -1.06 0.00 0.00 60.65 59.44 2kdb h LYS 28 Cb 0.39 -0.29 -0.01 0.00 -0.57 0.00 0.00 32.23 31.75 2kdb h LYS 28 CO 0.01 0.85 -0.21 -0.07 -2.06 0.00 0.00 179.45 177.97 2kdb h LEU 29 N 1.33 0.83 -0.97 2.94 -0.00 -1.31 -2.72 115.31 115.41 2kdb h LEU 29 Ca 0.38 -0.42 0.02 0.00 -0.00 0.00 0.00 57.88 57.86 2kdb h LEU 29 Cb -0.10 -0.23 -0.05 0.00 -0.00 0.00 0.00 40.66 40.28 2kdb h LEU 29 CO -0.10 1.07 0.64 0.50 -0.00 0.00 0.00 178.44 180.56 2kdb h LYS 30 N 0.60 1.25 -0.17 1.13 3.64 -0.36 0.37 116.57 123.03 2kdb h LYS 30 Ca 0.08 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2kdb h LYS 30 Cb 0.77 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2kdb h LYS 30 CO 0.06 0.83 0.04 1.15 -2.27 0.00 0.00 179.45 179.26 2kdb h THR 31 N 1.29 1.21 -0.64 1.00 2.02 -1.52 -2.33 112.91 113.94 2kdb h THR 31 Ca 0.37 -0.66 0.05 0.00 0.77 0.00 0.00 66.41 66.94 2kdb h THR 31 Cb -0.09 1.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 2kdb h THR 31 CO -0.10 0.20 0.42 -0.74 0.37 0.00 0.00 175.52 175.67 2kdb h HIS 32 N 0.08 0.67 -0.15 3.16 -0.00 -0.87 -2.26 115.15 115.78 2kdb h HIS 32 Ca 0.05 0.02 -0.21 0.00 -0.00 0.00 0.00 60.37 60.23 2kdb h HIS 32 Cb 0.27 -0.22 0.01 0.00 -0.00 0.00 0.00 27.41 27.46 2kdb h HIS 32 CO 0.01 0.37 -0.75 -0.07 -0.00 0.00 0.00 177.93 177.50 2kdb h LEU 33 N 0.68 0.83 -1.76 0.26 3.38 -0.23 -1.32 115.31 117.15 2kdb h LEU 33 Ca 0.27 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 2kdb h LEU 33 Cb 0.19 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2kdb h LEU 33 CO -0.08 1.32 -0.10 -1.28 0.09 0.00 0.00 178.44 178.39 2kdb h SER 34 N 0.48 0.02 0.28 -0.43 0.87 -0.86 0.66 113.55 114.57 2kdb h SER 34 Ca -0.04 -0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.18 2kdb h SER 34 Cb 1.36 -0.01 0.04 0.00 -0.44 0.00 0.00 62.40 63.35 2kdb h SER 34 CO 0.15 0.13 -1.47 0.78 -0.53 0.00 0.00 176.83 175.88 2kdb h ASN 35 N 0.03 0.84 0.12 6.23 2.35 -1.15 -3.40 115.58 120.59 2kdb h ASN 35 Ca 0.01 -0.89 -0.07 0.00 -0.55 0.00 0.00 56.30 54.80 2kdb h ASN 35 Cb 0.19 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 2kdb h ASN 35 CO 0.01 1.70 -1.94 1.33 -1.65 0.00 0.00 177.43 176.88 2kdb n VAL 36 N -3.71 0.33 -3.04 2.81 0.24 -0.52 -4.94 118.33 109.50 2kdb n VAL 36 Ca -0.16 -0.57 -0.40 0.00 -2.04 0.00 0.00 64.34 61.17 2kdb n VAL 36 Cb 1.10 -0.14 -0.05 0.00 -1.47 0.00 0.00 33.84 33.29 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 -3.32 3.58 0.41 6.34 5.04 0.21 -4.98 117.35 124.63 2kdb s TYR 37 Ca -0.07 1.27 0.20 0.00 -2.44 0.00 0.00 57.07 56.02 2kdb s TYR 37 Cb 0.12 -2.81 1.12 0.00 0.35 0.00 0.00 41.96 40.74 2kdb s TYR 37 CO 0.88 0.09 1.98 -1.00 -1.34 0.00 0.00 175.55 176.17 2kdb h PRO 38 N 6.73 0.00 0.00 4.97 0.13 -1.92 -1.35 132.00 140.56 2kdb h PRO 38 Ca -0.41 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.65 2kdb h PRO 38 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2kdb h PRO 38 CO 0.75 0.20 -0.35 1.03 -0.23 0.00 0.00 178.00 179.40 2kdb h SER 39 N 0.00 0.00 -5.53 1.44 0.87 -1.95 -3.48 113.55 104.90 2kdb h SER 39 Ca -0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.49 2kdb h SER 39 Cb 0.41 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2kdb h SER 39 CO 0.03 0.35 -0.31 0.29 -0.53 0.00 0.00 176.83 176.66 2kdb n LYS 40 N -3.62 -1.69 -2.69 2.24 5.02 -0.51 -4.98 118.16 111.93 2kdb n LYS 40 Ca -0.01 1.62 -0.40 0.00 -2.02 0.00 0.00 58.31 57.50 2kdb n LYS 40 Cb 0.46 -5.25 -0.06 0.00 -0.02 0.00 0.00 35.03 30.17 2kdb n LYS 40 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2kdb s PRO 41 N -3.04 4.79 -0.27 1.97 0.02 -1.26 -5.00 135.00 132.21 2kdb s PRO 41 Ca 0.09 1.55 -0.29 0.00 0.02 0.00 0.00 61.00 62.38 2kdb s PRO 41 Cb -0.02 -3.23 -0.02 0.00 0.02 0.00 0.00 34.50 31.25 2kdb s PRO 41 CO 0.78 0.43 1.61 -0.51 -0.33 0.00 0.00 177.00 178.98 2kdb s LEU 42 N -1.30 3.77 0.55 -5.54 1.43 -1.26 -4.59 118.68 111.75 2kdb s LEU 42 Ca 0.42 1.43 0.27 0.00 -1.03 0.00 0.00 54.13 55.22 2kdb s LEU 42 Cb -0.27 -3.53 1.46 0.00 0.03 0.00 0.00 46.19 43.88 2kdb s LEU 42 CO 0.34 -1.36 2.00 0.71 0.23 0.00 0.00 176.35 178.26 2kdb h THR 43 N 6.32 0.61 0.00 5.49 1.35 -1.91 -1.00 112.91 123.77 2kdb h THR 43 Ca -0.32 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.54 2kdb h THR 43 Cb 1.15 0.73 -0.00 0.00 -1.73 0.00 0.00 68.15 68.30 2kdb h THR 43 CO 1.02 0.00 -0.00 0.07 -0.25 0.00 0.00 175.52 176.36 2kdb h LYS 44 N 0.00 0.00 0.00 4.72 5.09 -1.99 -3.30 116.57 121.09 2kdb h LYS 44 Ca 0.21 0.00 -0.30 0.00 0.09 0.00 0.00 60.65 60.65 2kdb h LYS 44 Cb 0.93 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.22 2kdb h LYS 44 CO -0.00 0.00 -1.74 -0.25 -2.09 0.00 0.00 179.45 175.37 2kdb n ASP 45 N -3.10 1.90 -4.76 7.07 8.00 -0.45 -5.03 116.55 120.19 2kdb n ASP 45 Ca 0.02 0.40 -0.41 0.00 0.71 0.00 0.00 54.79 55.51 2kdb n ASP 45 Cb 0.42 -0.88 -0.03 0.00 -0.02 0.00 0.00 41.12 40.62 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 -2.45 4.38 0.27 -1.24 -1.52 -0.79 -5.02 119.66 113.28 2kdb s GLN 46 Ca -0.32 2.15 0.07 0.00 -1.95 0.00 0.00 55.36 55.31 2kdb s GLN 46 Cb 0.09 -3.12 -0.06 0.00 -0.22 0.00 0.00 33.01 29.71 2kdb s GLN 46 CO 0.51 -0.20 -0.08 1.03 -0.25 0.00 0.00 175.29 176.30 2kdb s ARG 47 N -1.16 1.54 0.08 2.91 3.00 -1.11 -4.91 118.95 119.30 2kdb s ARG 47 Ca 0.52 -1.76 0.05 0.00 0.00 0.00 0.00 55.73 54.53 2kdb s ARG 47 Cb -0.39 -1.20 -0.04 0.00 0.00 0.00 0.00 34.95 33.32 2kdb s ARG 47 CO 0.47 0.07 -0.02 -0.51 0.00 0.00 0.00 175.30 175.31 2kdb s LEU 48 N -3.44 3.37 -0.02 2.53 1.43 -1.26 -1.13 118.68 120.18 2kdb s LEU 48 Ca 0.29 -0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.19 2kdb s LEU 48 Cb 0.03 -2.10 0.01 0.00 0.03 0.00 0.00 46.19 44.16 2kdb s LEU 48 CO 0.12 0.19 -0.03 -0.69 0.23 0.00 0.00 176.35 176.16 2kdb s VAL 49 N -1.26 0.34 -0.07 -1.59 1.01 -0.09 -0.80 120.40 117.93 2kdb s VAL 49 Ca 0.24 -0.11 -0.00 0.00 0.00 0.00 0.00 61.98 62.11 2kdb s VAL 49 Cb -0.12 -0.34 0.02 0.00 0.00 0.00 0.00 36.38 35.95 2kdb s VAL 49 CO 0.16 0.13 -0.04 -0.47 0.00 0.00 0.00 175.10 174.88 2kdb s TYR 50 N 0.34 0.97 -1.26 5.22 5.04 -0.59 -1.03 117.35 126.04 2kdb s TYR 50 Ca -0.04 -0.36 0.00 0.00 -2.44 0.00 0.00 57.07 54.24 2kdb s TYR 50 Cb -0.07 -0.89 0.00 0.00 0.35 0.00 0.00 41.96 41.35 2kdb s TYR 50 CO -0.00 -0.33 0.00 -1.13 -1.34 0.00 0.00 175.55 172.74 2kdb n SER 51 N 4.66 -3.44 0.00 4.32 3.41 -1.26 -1.34 113.62 119.98 2kdb n SER 51 Ca -0.15 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 2kdb n SER 51 Cb 0.50 -3.13 0.00 0.00 -0.26 0.00 0.00 64.21 61.33 2kdb n SER 51 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kdb n GLY 52 N -0.17 1.80 3.82 5.00 0.00 -1.26 -5.10 105.19 109.27 2kdb n GLY 52 Ca -0.12 0.00 -0.36 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 -0.11 4.22 0.10 1.61 1.70 -0.45 -5.06 118.95 120.97 2kdb s ARG 53 Ca 0.00 0.83 -0.30 0.00 -0.47 0.00 0.00 55.73 55.79 2kdb s ARG 53 Cb 0.00 -2.87 -0.06 0.00 -0.57 0.00 0.00 34.95 31.45 2kdb s ARG 53 CO 0.00 0.39 1.11 -1.17 -1.08 0.00 0.00 175.30 174.56 2kdb s LEU 54 N -2.01 4.42 -0.63 -1.89 1.98 -1.26 -1.53 118.68 117.76 2kdb s LEU 54 Ca 0.43 1.97 -0.17 0.00 -2.89 0.00 0.00 54.13 53.47 2kdb s LEU 54 Cb -0.16 -3.59 0.13 0.00 0.66 0.00 0.00 46.19 43.23 2kdb s LEU 54 CO 0.21 -0.32 0.66 -0.76 -1.89 0.00 0.00 176.35 174.24 2kdb s LEU 55 N 0.46 5.91 0.47 -0.68 1.43 0.02 -4.93 118.68 121.36 2kdb s LEU 55 Ca 0.53 -1.81 -0.20 0.00 -1.03 0.00 0.00 54.13 51.62 2kdb s LEU 55 Cb -0.28 -2.26 -0.09 0.00 0.03 0.00 0.00 46.19 43.60 2kdb s LEU 55 CO 0.31 -0.92 1.02 -2.16 0.23 0.00 0.00 176.35 174.83 2kdb s PRO 56 N 1.85 3.90 0.65 1.29 0.04 -1.26 -4.01 135.00 137.45 2kdb s PRO 56 Ca 0.10 1.31 0.40 0.00 0.04 0.00 0.00 61.00 62.85 2kdb s PRO 56 Cb -0.23 -2.12 2.20 0.00 0.04 0.00 0.00 34.50 34.39 2kdb s PRO 56 CO 0.02 -0.34 2.30 0.38 0.04 0.00 0.00 177.00 179.39 2kdb h ASP 57 N 1.65 0.00 0.24 6.66 2.03 -1.98 -3.11 116.42 121.92 2kdb h ASP 57 Ca -0.49 0.00 -0.25 0.00 -0.73 0.00 0.00 57.03 55.56 2kdb h ASP 57 Cb 1.21 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.72 2kdb h ASP 57 CO 0.59 0.00 -1.04 1.12 -1.03 0.00 0.00 179.24 178.89 2kdb h HIS 58 N 0.00 0.77 -3.66 4.15 2.07 -1.96 -2.32 115.15 114.21 2kdb h HIS 58 Ca 0.01 -0.44 -0.50 0.00 -2.85 0.00 0.00 60.37 56.58 2kdb h HIS 58 Cb 0.09 -0.08 -0.02 0.00 2.57 0.00 0.00 27.41 29.97 2kdb h HIS 58 CO 0.00 1.28 0.06 -0.48 -3.07 0.00 0.00 177.93 175.71 2kdb s LEU 59 N -7.80 4.04 0.42 6.12 0.05 -1.17 -4.89 118.68 115.44 2kdb s LEU 59 Ca -0.07 1.17 -0.22 0.00 0.05 0.00 0.00 54.13 55.06 2kdb s LEU 59 Cb 0.08 -3.99 -0.10 0.00 -2.05 0.00 0.00 46.19 40.13 2kdb s LEU 59 CO 0.89 -0.22 0.98 -1.10 -0.55 0.00 0.00 176.35 176.35 2kdb s GLN 60 N -3.14 4.20 0.40 1.48 1.11 -1.26 -2.44 119.66 120.02 2kdb s GLN 60 Ca 0.52 1.26 0.08 0.00 0.01 0.00 0.00 55.36 57.24 2kdb s GLN 60 Cb -0.10 -2.33 0.86 0.00 -1.01 0.00 0.00 33.01 30.43 2kdb s GLN 60 CO 0.21 -0.07 2.02 -0.07 0.01 0.00 0.00 175.29 177.38 2kdb h LEU 61 N 2.15 0.50 -1.07 2.90 3.38 -1.35 -2.60 115.31 119.23 2kdb h LEU 61 Ca -0.49 -0.00 0.24 0.00 0.09 0.00 0.00 57.88 57.72 2kdb h LEU 61 Cb 1.20 -0.11 -0.12 0.00 0.09 0.00 0.00 40.66 41.71 2kdb h LEU 61 CO 0.61 0.34 0.61 0.07 0.09 0.00 0.00 178.44 180.17 2kdb h LYS 62 N 0.58 0.56 -0.92 1.13 5.09 -1.71 0.14 116.57 121.43 2kdb h LYS 62 Ca 0.22 -0.03 0.14 0.00 0.09 0.00 0.00 60.65 61.06 2kdb h LYS 62 Cb 0.15 -0.13 -0.09 0.00 0.10 0.00 0.00 32.23 32.26 2kdb h LYS 62 CO -0.06 0.37 0.54 0.22 -2.09 0.00 0.00 179.45 178.43 2kdb h ASP 63 N 0.58 0.73 0.00 7.07 3.58 -1.79 -1.76 116.42 124.83 2kdb h ASP 63 Ca 0.63 0.07 -0.25 0.00 0.42 0.00 0.00 57.03 57.90 2kdb h ASP 63 Cb 1.23 -0.07 -0.05 0.00 1.72 0.00 0.00 39.33 42.16 2kdb h ASP 63 CO -0.43 0.35 -2.06 -0.38 -2.88 0.00 0.00 179.24 173.84 2kdb n ILE 64 N -4.75 0.93 -0.55 2.25 -0.00 -0.80 -4.68 119.36 111.76 2kdb n ILE 64 Ca 0.18 -0.64 0.06 0.00 -0.00 0.00 0.00 62.75 62.35 2kdb n ILE 64 Cb 0.40 -0.46 0.15 0.00 -0.00 0.00 0.00 39.64 39.74 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 -2.52 2.94 0.15 1.39 4.77 0.42 -4.30 117.00 119.84 2kdb n LEU 65 Ca -0.23 -2.50 0.03 0.00 -0.03 0.00 0.00 56.01 53.28 2kdb n LEU 65 Cb 0.93 -0.32 0.15 0.00 -2.33 0.00 0.00 43.42 41.86 2kdb n LEU 65 CO 0.35 0.66 0.54 -0.09 -1.33 0.00 0.00 177.39 177.52 2kdb h ARG 66 N 1.20 0.00 0.33 3.23 2.43 -1.52 -2.63 114.38 117.41 2kdb h ARG 66 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2kdb h ARG 66 Cb 0.95 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 2kdb h ARG 66 CO 0.07 0.49 -0.16 0.87 -1.51 0.00 0.00 179.97 179.73 2kdb h LYS 67 N 0.00 -0.42 0.02 0.20 1.57 -1.85 -3.17 116.57 112.91 2kdb h LYS 67 Ca -0.00 0.03 -0.25 0.00 -1.87 0.00 0.00 60.65 58.55 2kdb h LYS 67 Cb 1.20 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.57 2kdb h LYS 67 CO 0.06 -0.15 -1.30 1.96 -0.57 0.00 0.00 179.45 179.45 2kdb h GLN 68 N -0.66 0.04 0.00 3.15 4.20 -1.88 -3.48 115.11 116.48 2kdb h GLN 68 Ca -0.04 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.60 2kdb h GLN 68 Cb 0.47 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2kdb h GLN 68 CO 0.07 0.85 0.00 -3.47 -0.67 0.00 0.00 178.83 175.61 2kdb n ASP 69 N -3.27 0.00 0.00 1.46 2.03 -0.99 -4.48 116.55 111.31 2kdb n ASP 69 Ca -0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.23 2kdb n ASP 69 Cb 0.99 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.39 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 0.00 -3.45 -0.67 2.13 -1.26 -4.68 120.64 112.71 2kdb n GLU 70 Ca 0.00 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.44 2kdb n GLU 70 Cb 0.00 -0.10 -0.06 0.00 0.27 0.00 0.00 31.44 31.55 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 0.00 3.74 -0.17 4.31 -0.85 -1.26 -0.97 117.35 122.15 2kdb s TYR 71 Ca 0.00 1.05 -0.05 0.00 -0.52 0.00 0.00 57.07 57.56 2kdb s TYR 71 Cb 0.00 -2.34 0.07 0.00 0.38 0.00 0.00 41.96 40.06 2kdb s TYR 71 CO 0.00 0.62 0.12 -1.01 -1.52 0.00 0.00 175.55 173.76 2kdb s HIS 72 N -1.03 0.08 -0.81 -3.49 3.76 -0.37 -4.85 115.29 108.57 2kdb s HIS 72 Ca 0.25 -0.15 -0.26 0.00 -0.15 0.00 0.00 55.06 54.75 2kdb s HIS 72 Cb -0.17 -0.60 0.02 0.00 1.11 0.00 0.00 32.58 32.93 2kdb s HIS 72 CO 0.15 -0.51 1.48 0.00 -0.85 0.00 0.00 174.74 175.01 2kdb s MET 73 N 2.18 3.15 -0.22 1.40 0.23 -1.26 -1.12 119.30 123.65 2kdb s MET 73 Ca 0.03 -0.35 -0.06 0.00 -1.03 0.00 0.00 55.69 54.28 2kdb s MET 73 Cb -0.16 -4.62 -0.02 0.00 -1.53 0.00 0.00 34.83 28.50 2kdb s MET 73 CO -0.09 -2.37 0.03 0.08 -2.03 0.00 0.00 175.02 170.63 2kdb s VAL 74 N 6.47 4.07 -0.14 5.16 1.01 -0.27 -4.66 120.40 132.04 2kdb s VAL 74 Ca 0.46 -0.26 -0.21 0.00 0.00 0.00 0.00 61.98 61.97 2kdb s VAL 74 Cb -0.06 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 2kdb s VAL 74 CO 0.08 0.39 0.62 -1.00 0.00 0.00 0.00 175.10 175.18 2kdb s HIS 75 N 1.30 3.47 0.21 5.22 3.76 -0.20 -1.74 115.29 127.30 2kdb s HIS 75 Ca 0.04 1.02 -0.27 0.00 -0.15 0.00 0.00 55.06 55.70 2kdb s HIS 75 Cb -0.15 -2.74 -0.09 0.00 1.11 0.00 0.00 32.58 30.71 2kdb s HIS 75 CO 0.02 -0.02 0.85 -1.17 -0.85 0.00 0.00 174.74 173.57 2kdb s LEU 76 N 1.28 4.59 0.00 0.89 2.96 -0.44 -0.91 118.68 127.04 2kdb s LEU 76 Ca 0.31 1.77 0.10 0.00 -0.22 0.00 0.00 54.13 56.08 2kdb s LEU 76 Cb -0.16 -3.48 0.08 0.00 0.50 0.00 0.00 46.19 43.13 2kdb s LEU 76 CO 0.13 0.16 0.82 0.52 -1.32 0.00 0.00 176.35 176.65