#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 5.06 -0.76 0.52 1.01 -0.72 -3.81 120.40 121.70 2kdb s VAL 2 Ca 0.00 -1.38 -0.26 0.00 0.00 0.00 0.00 61.98 60.34 2kdb s VAL 2 Cb 0.00 -4.43 0.04 0.00 0.00 0.00 0.00 36.38 31.99 2kdb s VAL 2 CO 0.00 -1.02 1.26 -0.89 0.00 0.00 0.00 175.10 174.45 2kdb s THR 3 N 1.97 3.84 -0.68 3.92 2.01 -0.35 -0.85 115.64 125.50 2kdb s THR 3 Ca 0.09 0.14 -0.20 0.00 0.31 0.00 0.00 61.69 62.04 2kdb s THR 3 Cb -0.25 -4.90 0.10 0.00 0.01 0.00 0.00 72.50 67.46 2kdb s THR 3 CO 0.03 -1.81 0.85 -0.22 -0.69 0.00 0.00 174.62 172.78 2kdb s LEU 4 N 5.38 5.11 -0.82 4.42 2.96 -0.40 -2.17 118.68 133.16 2kdb s LEU 4 Ca 0.35 -1.47 -0.24 0.00 -0.22 0.00 0.00 54.13 52.55 2kdb s LEU 4 Cb -0.08 -2.35 0.06 0.00 0.50 0.00 0.00 46.19 44.32 2kdb s LEU 4 CO 0.11 -1.18 1.24 -0.63 -1.32 0.00 0.00 176.35 174.58 2kdb s ILE 5 N 2.96 4.03 -0.45 6.68 1.01 -0.49 -2.06 121.20 132.88 2kdb s ILE 5 Ca 0.18 -0.33 -0.23 0.00 0.00 0.00 0.00 60.65 60.28 2kdb s ILE 5 Cb -0.18 -4.89 0.03 0.00 0.01 0.00 0.00 42.46 37.42 2kdb s ILE 5 CO 0.04 -1.75 0.76 -0.63 0.00 0.00 0.00 174.94 173.36 2kdb s ILE 6 N 4.80 4.67 0.35 2.92 -1.09 -0.19 -0.77 121.20 131.89 2kdb s ILE 6 Ca 0.35 0.36 0.09 0.00 -2.23 0.00 0.00 60.65 59.22 2kdb s ILE 6 Cb -0.07 -4.31 -0.05 0.00 -1.58 0.00 0.00 42.46 36.45 2kdb s ILE 6 CO 0.04 -0.71 0.06 -0.54 -1.23 0.00 0.00 174.94 172.56 2kdb s LYS 7 N 3.22 2.17 0.12 2.79 1.02 -0.43 -1.51 119.74 127.12 2kdb s LYS 7 Ca 0.28 -1.71 -0.10 0.00 0.02 0.00 0.00 55.97 54.47 2kdb s LYS 7 Cb -0.12 -1.99 -0.06 0.00 -0.52 0.00 0.00 37.83 35.13 2kdb s LYS 7 CO 0.22 0.11 0.45 0.00 -0.92 0.00 0.00 175.35 175.21 2kdb s ALA 8 N -2.50 3.68 0.29 5.17 0.00 -0.64 -1.20 121.76 126.56 2kdb s ALA 8 Ca 0.36 -0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.00 2kdb s ALA 8 Cb -0.00 -2.32 0.57 0.00 0.00 0.00 0.00 23.12 21.36 2kdb s ALA 8 CO 0.20 0.55 1.85 -1.35 0.00 0.00 0.00 175.76 177.01 2kdb h PRO 9 N 3.38 0.95 -0.56 0.00 0.11 -1.92 -1.88 132.00 132.09 2kdb h PRO 9 Ca -0.48 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2kdb h PRO 9 Cb 1.19 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2kdb h PRO 9 CO 0.68 0.63 0.00 0.09 -0.21 0.00 0.00 178.00 179.19 2kdb n ASN 10 N -4.60 2.99 0.00 -2.05 3.02 -1.26 -4.92 115.26 108.44 2kdb n ASN 10 Ca 0.18 -2.20 0.00 0.00 -0.03 0.00 0.00 54.58 52.53 2kdb n ASN 10 Cb 0.34 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 2kdb n ASN 10 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 2kdb n GLN 11 N 0.69 -0.24 0.06 3.52 -0.06 -0.71 -4.90 117.38 115.75 2kdb n GLN 11 Ca 0.16 0.06 -0.14 0.00 -2.00 0.00 0.00 57.00 55.08 2kdb n GLN 11 Cb 0.55 -3.62 -0.07 0.00 -4.06 0.00 0.00 30.24 23.04 2kdb n GLN 11 CO 0.00 0.00 0.00 -0.22 -0.20 0.00 0.00 177.06 176.64 2kdb h LYS 12 N 1.26 -0.56 -5.77 3.69 3.64 -1.92 -3.36 116.57 113.55 2kdb h LYS 12 Ca 0.00 0.04 -0.59 0.00 -1.27 0.00 0.00 60.65 58.83 2kdb h LYS 12 Cb 0.12 0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 31.98 2kdb h LYS 12 CO 0.00 -0.37 0.17 0.71 -2.27 0.00 0.00 179.45 177.68 2kdb s TYR 13 N -5.88 3.41 1.06 1.91 2.02 -1.26 -4.98 117.35 113.64 2kdb s TYR 13 Ca -0.16 1.04 -0.18 0.00 -0.37 0.00 0.00 57.07 57.40 2kdb s TYR 13 Cb 0.08 -2.84 0.26 0.00 -0.40 0.00 0.00 41.96 39.06 2kdb s TYR 13 CO 0.63 -0.15 1.16 0.43 -1.57 0.00 0.00 175.55 176.06 2kdb n SER 14 N 4.89 -1.03 -4.55 2.29 7.64 -1.26 -1.62 113.62 119.98 2kdb n SER 14 Ca -0.00 -1.29 -0.39 0.00 1.01 0.00 0.00 58.87 58.20 2kdb n SER 14 Cb 0.50 -0.97 -0.04 0.00 -1.01 0.00 0.00 64.21 62.69 2kdb n SER 14 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2kdb n ASP 15 N -4.33 2.32 -4.48 6.43 5.75 -1.26 -4.33 116.55 116.64 2kdb n ASP 15 Ca 0.15 -0.27 -0.43 0.00 -0.01 0.00 0.00 54.79 54.23 2kdb n ASP 15 Cb 0.56 -1.51 -0.05 0.00 -1.03 0.00 0.00 41.12 39.09 2kdb n ASP 15 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2kdb s GLN 16 N 7.87 3.22 -0.85 0.11 -1.52 -0.57 -4.89 119.66 123.04 2kdb s GLN 16 Ca 1.02 -0.59 -0.23 0.00 -1.95 0.00 0.00 55.36 53.62 2kdb s GLN 16 Cb -0.33 -4.07 0.07 0.00 -0.22 0.00 0.00 33.01 28.46 2kdb s GLN 16 CO 0.31 -1.32 1.23 0.95 -0.25 0.00 0.00 175.29 176.21 2kdb s THR 17 N 3.20 4.15 -0.56 -0.19 -4.23 -1.26 -1.02 115.64 115.73 2kdb s THR 17 Ca 0.22 -0.58 -0.18 0.00 -1.18 0.00 0.00 61.69 59.97 2kdb s THR 17 Cb -0.16 -4.88 0.10 0.00 1.34 0.00 0.00 72.50 68.90 2kdb s THR 17 CO 0.16 -1.72 0.62 -0.63 -0.54 0.00 0.00 174.62 172.51 2kdb s ILE 18 N 4.44 4.96 -0.34 2.99 -1.09 -0.87 -4.87 121.20 126.41 2kdb s ILE 18 Ca 0.35 -1.10 -0.29 0.00 -2.23 0.00 0.00 60.65 57.39 2kdb s ILE 18 Cb -0.07 -4.41 0.00 0.00 -1.58 0.00 0.00 42.46 36.41 2kdb s ILE 18 CO 0.00 -0.99 1.43 -0.94 -1.23 0.00 0.00 174.94 173.22 2kdb s SER 19 N 3.47 6.42 0.00 3.58 1.04 -1.26 -1.28 113.70 125.68 2kdb s SER 19 Ca 0.09 1.09 0.00 0.00 0.48 0.00 0.00 55.95 57.61 2kdb s SER 19 Cb -0.25 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.33 2kdb s SER 19 CO 0.06 -1.31 0.00 0.00 0.98 0.00 0.00 173.24 172.97 2kdb s PHE 21 N -3.84 1.08 -1.28 0.00 0.08 -1.26 -1.75 117.98 111.01 2kdb s PHE 21 Ca 0.00 -0.74 0.22 0.00 0.12 0.00 0.00 56.93 56.54 2kdb s PHE 21 Cb 0.00 -0.58 1.06 0.00 -0.57 0.00 0.00 43.02 42.93 2kdb s PHE 21 CO 0.00 -0.01 1.72 1.28 -0.10 0.00 0.00 175.22 178.11 2kdb n LEU 22 N 0.22 0.00 -0.31 -0.37 4.77 -1.26 -3.85 117.00 116.21 2kdb n LEU 22 Ca -0.14 0.36 0.08 0.00 -0.03 0.00 0.00 56.01 56.28 2kdb n LEU 22 Cb 0.59 -0.36 0.23 0.00 -2.33 0.00 0.00 43.42 41.56 2kdb n LEU 22 CO 0.29 -0.09 1.12 0.78 -1.33 0.00 0.00 177.39 178.16 2kdb h ASN 23 N 0.00 0.58 -2.18 -1.43 4.21 -2.00 -3.36 115.58 111.40 2kdb h ASN 23 Ca 0.00 0.09 -0.43 0.00 1.21 0.00 0.00 56.30 57.17 2kdb h ASN 23 Cb 0.27 -0.01 0.04 0.00 -1.12 0.00 0.00 38.32 37.50 2kdb h ASN 23 CO 0.00 0.25 -0.10 0.26 -1.29 0.00 0.00 177.43 176.55 2kdb s TRP 24 N -5.96 2.80 0.74 1.19 0.51 -1.25 -4.99 118.94 111.98 2kdb s TRP 24 Ca -0.12 -0.14 -0.09 0.00 -2.12 0.00 0.00 56.10 53.64 2kdb s TRP 24 Cb 0.22 -2.65 0.06 0.00 -0.81 0.00 0.00 33.47 30.30 2kdb s TRP 24 CO 0.78 -0.77 1.07 0.95 -0.51 0.00 0.00 176.95 178.48 2kdb s THR 25 N -2.65 2.27 0.28 2.01 -4.23 -1.26 -3.07 115.64 108.99 2kdb s THR 25 Ca 0.57 -0.14 -0.01 0.00 -1.18 0.00 0.00 61.69 60.93 2kdb s THR 25 Cb -0.10 -3.03 0.28 0.00 1.34 0.00 0.00 72.50 70.98 2kdb s THR 25 CO 0.37 -0.04 1.89 0.58 -0.54 0.00 0.00 174.62 176.88 2kdb h VAL 26 N -0.75 1.07 -0.28 2.29 2.07 -1.31 -1.82 116.25 117.53 2kdb h VAL 26 Ca -0.45 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 2kdb h VAL 26 Cb 1.32 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2kdb h VAL 26 CO 0.62 0.21 0.09 1.23 0.02 0.00 0.00 177.57 179.74 2kdb h GLY 27 N 1.13 0.47 1.05 2.17 0.00 -1.52 0.20 103.07 106.58 2kdb h GLY 27 Ca 0.43 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 2kdb h GLY 27 CO -0.17 0.26 0.30 0.50 0.00 0.00 0.00 176.54 177.43 2kdb h LYS 28 N 0.29 1.19 -0.41 4.80 6.56 -1.77 -1.59 116.57 125.65 2kdb h LYS 28 Ca 0.09 -0.23 -0.11 0.00 -1.06 0.00 0.00 60.65 59.34 2kdb h LYS 28 Cb 0.25 -0.19 -0.02 0.00 -0.57 0.00 0.00 32.23 31.70 2kdb h LYS 28 CO -0.00 0.97 -0.20 1.25 -2.06 0.00 0.00 179.45 179.42 2kdb h LEU 29 N 1.15 0.81 -0.67 2.94 7.12 -1.24 -2.89 115.31 122.53 2kdb h LEU 29 Ca 0.26 -0.28 -0.14 0.00 0.13 0.00 0.00 57.88 57.85 2kdb h LEU 29 Cb 0.24 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.14 2kdb h LEU 29 CO -0.02 0.99 -0.50 0.50 -0.13 0.00 0.00 178.44 179.28 2kdb h LYS 30 N 0.71 0.41 -0.55 1.25 3.64 -0.08 0.31 116.57 122.26 2kdb h LYS 30 Ca 0.10 -0.24 -0.09 0.00 -1.27 0.00 0.00 60.65 59.15 2kdb h LYS 30 Cb 0.71 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 2kdb h LYS 30 CO 0.05 0.82 -0.03 1.15 -2.27 0.00 0.00 179.45 179.17 2kdb h THR 31 N 0.32 1.26 -0.46 1.00 2.02 -1.33 -1.45 112.91 114.28 2kdb h THR 31 Ca 0.01 -1.15 -0.08 0.00 0.77 0.00 0.00 66.41 65.96 2kdb h THR 31 Cb 1.00 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 2kdb h THR 31 CO 0.09 0.41 -0.05 -0.74 0.37 0.00 0.00 175.52 175.60 2kdb h HIS 32 N 0.89 0.84 0.21 3.16 -0.00 -1.15 -2.21 115.15 116.90 2kdb h HIS 32 Ca 0.16 -0.13 -0.01 0.00 -0.00 0.00 0.00 60.37 60.38 2kdb h HIS 32 Cb 0.56 -0.23 0.00 0.00 -0.00 0.00 0.00 27.41 27.75 2kdb h HIS 32 CO 0.04 0.80 -0.10 -0.07 -0.00 0.00 0.00 177.93 178.60 2kdb h LEU 33 N 0.72 -0.24 -1.12 0.26 3.38 -0.12 -1.85 115.31 116.35 2kdb h LEU 33 Ca 0.13 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.97 2kdb h LEU 33 Cb 0.51 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 2kdb h LEU 33 CO 0.03 0.03 0.60 0.77 0.09 0.00 0.00 178.44 179.95 2kdb h SER 34 N -0.52 1.00 -0.56 -0.43 4.64 -1.31 0.38 113.55 116.74 2kdb h SER 34 Ca -0.03 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.21 2kdb h SER 34 Cb 0.39 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 2kdb h SER 34 CO 0.05 0.70 0.10 -1.13 -0.87 0.00 0.00 176.83 175.67 2kdb h ASN 35 N 1.16 0.89 0.19 4.97 -0.73 -1.26 -2.91 115.58 117.89 2kdb h ASN 35 Ca 0.35 -0.26 0.00 0.00 1.87 0.00 0.00 56.30 58.26 2kdb h ASN 35 Cb -0.03 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 38.32 2kdb h ASN 35 CO -0.10 0.92 -0.25 1.33 -0.37 0.00 0.00 177.43 178.96 2kdb n VAL 36 N -4.34 0.00 -2.84 2.57 0.24 -0.71 -4.95 118.33 108.30 2kdb n VAL 36 Ca 0.02 -0.15 -0.35 0.00 -2.04 0.00 0.00 64.34 61.82 2kdb n VAL 36 Cb 0.27 0.49 -0.07 0.00 -1.47 0.00 0.00 33.84 33.06 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 -2.45 3.56 -2.00 6.34 5.04 0.09 -4.97 117.35 122.95 2kdb s TYR 37 Ca 0.25 1.66 0.23 0.00 -2.44 0.00 0.00 57.07 56.77 2kdb s TYR 37 Cb 0.19 -2.85 1.37 0.00 0.35 0.00 0.00 41.96 41.02 2kdb s TYR 37 CO 0.51 0.12 1.75 -0.35 -1.34 0.00 0.00 175.55 176.23 2kdb n PRO 38 N 0.16 0.73 0.00 4.97 -0.04 -1.26 -3.52 135.00 136.05 2kdb n PRO 38 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2kdb n PRO 38 Cb 0.52 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 2kdb n PRO 38 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2kdb n SER 39 N -0.99 4.37 -3.24 3.54 2.88 -1.26 -5.08 113.62 113.84 2kdb n SER 39 Ca 0.17 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.64 2kdb n SER 39 Cb 0.08 0.82 0.01 0.00 -0.75 0.00 0.00 64.21 64.37 2kdb n SER 39 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2kdb n LYS 40 N -1.37 -1.43 -1.58 -1.46 4.76 -1.23 -4.98 118.16 110.87 2kdb n LYS 40 Ca 0.00 1.26 -0.35 0.00 -2.87 0.00 0.00 58.31 56.35 2kdb n LYS 40 Cb 0.05 -5.07 0.08 0.00 -1.84 0.00 0.00 35.03 28.25 2kdb n LYS 40 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2kdb s PRO 41 N -3.62 2.34 -0.62 1.97 0.04 -1.26 -4.94 135.00 128.92 2kdb s PRO 41 Ca 0.06 1.85 -0.27 0.00 0.04 0.00 0.00 61.00 62.68 2kdb s PRO 41 Cb -0.01 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.69 2kdb s PRO 41 CO 0.78 -1.70 1.50 -0.51 0.04 0.00 0.00 177.00 177.10 2kdb s LEU 42 N -4.82 3.30 0.53 -3.56 1.43 -1.26 -4.82 118.68 109.49 2kdb s LEU 42 Ca 0.77 0.11 0.19 0.00 -1.03 0.00 0.00 54.13 54.16 2kdb s LEU 42 Cb -0.32 -2.79 1.35 0.00 0.03 0.00 0.00 46.19 44.47 2kdb s LEU 42 CO 0.42 -1.92 2.14 0.71 0.23 0.00 0.00 176.35 177.94 2kdb h THR 43 N 6.41 0.91 -0.74 5.49 1.35 -1.92 0.14 112.91 124.55 2kdb h THR 43 Ca -0.27 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.54 2kdb h THR 43 Cb 1.10 0.97 -0.03 0.00 -1.73 0.00 0.00 68.15 68.46 2kdb h THR 43 CO 1.21 0.00 0.26 0.07 -0.25 0.00 0.00 175.52 176.81 2kdb h LYS 44 N 0.00 1.12 0.03 4.72 2.10 -2.01 -3.33 116.57 119.21 2kdb h LYS 44 Ca 0.03 -0.22 -0.38 0.00 -2.00 0.00 0.00 60.65 58.07 2kdb h LYS 44 Cb 0.12 -0.17 -0.05 0.00 -0.90 0.00 0.00 32.23 31.22 2kdb h LYS 44 CO -0.00 0.94 -2.27 -0.25 -2.00 0.00 0.00 179.45 175.87 2kdb n ASP 45 N -4.26 2.00 -4.79 7.07 8.00 -0.99 -5.00 116.55 118.58 2kdb n ASP 45 Ca 0.06 0.08 -0.38 0.00 0.71 0.00 0.00 54.79 55.26 2kdb n ASP 45 Cb 0.21 -0.64 -0.06 0.00 -0.02 0.00 0.00 41.12 40.61 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 -2.51 4.20 0.36 -1.24 -0.21 0.00 -5.06 119.66 115.19 2kdb s GLN 46 Ca -0.32 0.65 0.04 0.00 0.02 0.00 0.00 55.36 55.75 2kdb s GLN 46 Cb 0.09 -3.29 -0.05 0.00 1.00 0.00 0.00 33.01 30.76 2kdb s GLN 46 CO 0.62 0.51 0.07 1.03 -2.12 0.00 0.00 175.29 175.40 2kdb s ARG 47 N -0.63 1.75 0.06 2.91 3.00 -1.20 -4.70 118.95 120.14 2kdb s ARG 47 Ca 0.28 -2.01 -0.03 0.00 0.00 0.00 0.00 55.73 53.98 2kdb s ARG 47 Cb -0.18 -0.87 -0.05 0.00 0.00 0.00 0.00 34.95 33.86 2kdb s ARG 47 CO 0.17 -0.26 0.26 -0.51 0.00 0.00 0.00 175.30 174.95 2kdb s LEU 48 N -3.54 4.34 -0.28 2.53 1.43 -1.21 -1.48 118.68 120.47 2kdb s LEU 48 Ca 0.32 0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 53.81 2kdb s LEU 48 Cb 0.07 -2.93 0.09 0.00 0.03 0.00 0.00 46.19 43.45 2kdb s LEU 48 CO 0.15 0.17 0.11 -0.69 0.23 0.00 0.00 176.35 176.32 2kdb s VAL 49 N -1.47 0.21 -1.10 -1.59 1.01 0.70 -0.78 120.40 117.38 2kdb s VAL 49 Ca 0.34 -0.88 -0.21 0.00 0.00 0.00 0.00 61.98 61.23 2kdb s VAL 49 Cb -0.13 -1.14 0.07 0.00 0.00 0.00 0.00 36.38 35.18 2kdb s VAL 49 CO 0.23 -0.65 1.51 -0.47 0.00 0.00 0.00 175.10 175.72 2kdb s TYR 50 N 1.96 2.69 -1.56 5.22 5.04 0.75 -1.07 117.35 130.37 2kdb s TYR 50 Ca 0.08 -1.17 0.00 0.00 -2.44 0.00 0.00 57.07 53.54 2kdb s TYR 50 Cb -0.16 -4.67 0.00 0.00 0.35 0.00 0.00 41.96 37.48 2kdb s TYR 50 CO -0.30 -1.84 0.00 0.43 -1.34 0.00 0.00 175.55 172.49 2kdb n SER 51 N 8.43 -4.55 0.00 4.32 7.64 -1.26 -1.23 113.62 126.98 2kdb n SER 51 Ca 0.37 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.62 2kdb n SER 51 Cb 0.49 -3.90 0.00 0.00 -1.01 0.00 0.00 64.21 59.79 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 -0.16 1.39 3.60 0.23 0.00 -1.26 -5.09 105.19 103.90 2kdb n GLY 52 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 2kdb n GLY 52 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kdb s ARG 53 N 0.00 3.77 0.05 1.61 6.06 -0.36 -5.01 118.95 125.06 2kdb s ARG 53 Ca 0.00 0.58 -0.31 0.00 -2.50 0.00 0.00 55.73 53.50 2kdb s ARG 53 Cb 0.00 -3.86 -0.07 0.00 0.06 0.00 0.00 34.95 31.08 2kdb s ARG 53 CO 0.00 -1.20 1.40 -1.17 -2.50 0.00 0.00 175.30 171.84 2kdb s LEU 54 N 4.03 4.34 -0.64 -0.88 1.98 -1.26 -0.18 118.68 126.07 2kdb s LEU 54 Ca 0.44 2.21 -0.11 0.00 -2.89 0.00 0.00 54.13 53.79 2kdb s LEU 54 Cb -0.09 -3.57 0.17 0.00 0.66 0.00 0.00 46.19 43.35 2kdb s LEU 54 CO 0.26 -0.69 0.54 -0.76 -1.89 0.00 0.00 176.35 173.80 2kdb s LEU 55 N 1.87 6.06 0.43 -0.68 1.43 0.04 -4.92 118.68 122.91 2kdb s LEU 55 Ca 0.65 -2.37 -0.23 0.00 -1.03 0.00 0.00 54.13 51.15 2kdb s LEU 55 Cb -0.34 -2.08 -0.08 0.00 0.03 0.00 0.00 46.19 43.72 2kdb s LEU 55 CO 0.28 -0.61 1.07 -2.16 0.23 0.00 0.00 176.35 175.17 2kdb s PRO 56 N 0.67 3.99 0.00 1.29 0.04 -1.26 -3.32 135.00 136.41 2kdb s PRO 56 Ca 0.12 1.54 0.12 0.00 0.04 0.00 0.00 61.00 62.82 2kdb s PRO 56 Cb -0.20 -2.42 0.56 0.00 0.04 0.00 0.00 34.50 32.48 2kdb s PRO 56 CO -0.04 -0.30 1.35 -0.40 0.04 0.00 0.00 177.00 177.65 2kdb n ASP 57 N -0.35 0.00 0.09 6.66 5.68 -1.26 -2.79 116.55 124.58 2kdb n ASP 57 Ca 0.06 0.33 -0.14 0.00 -0.50 0.00 0.00 54.79 54.54 2kdb n ASP 57 Cb 0.50 -0.40 -0.11 0.00 -1.14 0.00 0.00 41.12 39.96 2kdb n ASP 57 CO 0.00 0.00 0.00 1.12 -1.33 0.00 0.00 177.20 176.99 2kdb h HIS 58 N 0.00 0.42 -2.25 2.11 2.07 -1.95 -1.52 115.15 114.03 2kdb h HIS 58 Ca 0.00 -0.29 -0.45 0.00 -2.85 0.00 0.00 60.37 56.78 2kdb h HIS 58 Cb 0.16 -0.02 0.02 0.00 2.57 0.00 0.00 27.41 30.14 2kdb h HIS 58 CO 0.00 1.20 -0.20 -0.48 -3.07 0.00 0.00 177.93 175.38 2kdb s LEU 59 N -7.18 3.73 0.28 6.12 0.05 -1.12 -4.86 118.68 115.70 2kdb s LEU 59 Ca -0.03 0.01 -0.21 0.00 0.05 0.00 0.00 54.13 53.95 2kdb s LEU 59 Cb 0.08 -2.93 -0.09 0.00 -2.05 0.00 0.00 46.19 41.20 2kdb s LEU 59 CO 0.87 -0.65 0.80 -1.10 -0.55 0.00 0.00 176.35 175.72 2kdb s GLN 60 N -4.42 4.29 0.33 1.48 1.11 -1.26 -1.17 119.66 120.03 2kdb s GLN 60 Ca 0.49 0.98 0.05 0.00 0.01 0.00 0.00 55.36 56.89 2kdb s GLN 60 Cb -0.10 -2.72 0.69 0.00 -1.01 0.00 0.00 33.01 29.88 2kdb s GLN 60 CO 0.35 0.29 1.90 -0.07 0.01 0.00 0.00 175.29 177.76 2kdb h LEU 61 N 3.02 0.75 -1.46 2.90 3.38 -1.72 -2.77 115.31 119.42 2kdb h LEU 61 Ca -0.48 0.02 0.22 0.00 0.09 0.00 0.00 57.88 57.74 2kdb h LEU 61 Cb 1.19 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.73 2kdb h LEU 61 CO 0.65 0.44 0.62 0.07 0.09 0.00 0.00 178.44 180.31 2kdb h LYS 62 N 0.83 0.40 -0.93 1.13 5.09 -1.85 -1.04 116.57 120.21 2kdb h LYS 62 Ca 0.40 -0.02 0.16 0.00 0.09 0.00 0.00 60.65 61.28 2kdb h LYS 62 Cb 0.44 -0.09 -0.08 0.00 0.10 0.00 0.00 32.23 32.60 2kdb h LYS 62 CO -0.17 0.27 0.59 0.22 -2.09 0.00 0.00 179.45 178.27 2kdb h ASP 63 N 0.42 0.68 0.00 7.07 3.58 -1.87 -1.03 116.42 125.26 2kdb h ASP 63 Ca 0.51 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 58.00 2kdb h ASP 63 Cb 1.27 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 42.24 2kdb h ASP 63 CO -0.21 0.32 -1.37 -0.38 -2.88 0.00 0.00 179.24 174.72 2kdb n ILE 64 N -4.60 0.03 0.23 2.25 -0.00 -0.89 -4.70 119.36 111.68 2kdb n ILE 64 Ca 0.19 -0.19 0.05 0.00 -0.00 0.00 0.00 62.75 62.81 2kdb n ILE 64 Cb 0.51 0.26 0.08 0.00 -0.00 0.00 0.00 39.64 40.49 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 -1.80 2.23 0.23 1.39 4.77 -0.44 -4.39 117.00 118.98 2kdb n LEU 65 Ca -0.02 -1.35 0.07 0.00 -0.03 0.00 0.00 56.01 54.69 2kdb n LEU 65 Cb 0.23 -0.08 0.55 0.00 -2.33 0.00 0.00 43.42 41.80 2kdb n LEU 65 CO 0.16 0.49 0.89 -0.09 -1.33 0.00 0.00 177.39 177.51 2kdb h ARG 66 N 2.02 0.00 -0.52 3.23 2.43 -1.41 -1.28 114.38 118.85 2kdb h ARG 66 Ca 0.00 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 2kdb h ARG 66 Cb 0.54 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.02 2kdb h ARG 66 CO 0.00 0.20 -0.35 0.87 -1.51 0.00 0.00 179.97 179.18 2kdb h LYS 67 N 0.00 -0.05 0.00 0.20 1.79 -1.84 -3.35 116.57 113.32 2kdb h LYS 67 Ca -0.00 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.30 2kdb h LYS 67 Cb 0.40 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.03 2kdb h LYS 67 CO 0.03 -0.03 -1.65 0.94 -1.08 0.00 0.00 179.45 177.65 2kdb n GLN 68 N -4.33 0.78 0.00 3.15 7.27 -1.25 -5.03 117.38 117.97 2kdb n GLN 68 Ca 0.00 0.05 0.00 0.00 0.07 0.00 0.00 57.00 57.13 2kdb n GLN 68 Cb 0.17 -1.23 0.00 0.00 2.41 0.00 0.00 30.24 31.58 2kdb n GLN 68 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 2kdb n ASP 69 N -2.73 0.00 -0.11 1.69 2.03 -0.48 -4.74 116.55 112.21 2kdb n ASP 69 Ca -0.19 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.03 2kdb n ASP 69 Cb 0.73 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 41.10 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 -0.30 -2.58 -0.67 4.57 -1.87 -3.36 114.58 110.36 2kdb h GLU 70 Ca 0.00 0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.10 2kdb h GLU 70 Cb 0.00 0.07 -0.22 0.00 -0.16 0.00 0.00 28.75 28.44 2kdb h GLU 70 CO 0.00 -0.20 -0.13 1.52 -1.18 0.00 0.00 179.01 179.01 2kdb s TYR 71 N -5.92 -0.48 -0.15 0.92 -0.85 -1.26 -1.21 117.35 108.40 2kdb s TYR 71 Ca -0.15 1.10 -0.07 0.00 -0.52 0.00 0.00 57.07 57.43 2kdb s TYR 71 Cb 0.12 0.19 0.06 0.00 0.38 0.00 0.00 41.96 42.72 2kdb s TYR 71 CO 0.66 -0.32 0.33 -1.01 -1.52 0.00 0.00 175.55 173.69 2kdb s HIS 72 N -0.19 -0.52 0.06 -3.49 3.76 -0.92 -4.93 115.29 109.07 2kdb s HIS 72 Ca -0.04 1.11 -0.26 0.00 -0.15 0.00 0.00 55.06 55.73 2kdb s HIS 72 Cb -0.03 0.14 -0.06 0.00 1.11 0.00 0.00 32.58 33.74 2kdb s HIS 72 CO 0.02 -0.34 0.80 0.00 -0.85 0.00 0.00 174.74 174.37 2kdb s MET 73 N 1.79 4.53 -0.01 1.40 0.23 -1.26 -1.39 119.30 124.59 2kdb s MET 73 Ca -0.06 1.13 -0.02 0.00 -1.03 0.00 0.00 55.69 55.71 2kdb s MET 73 Cb -0.10 -3.36 -0.00 0.00 -1.53 0.00 0.00 34.83 29.83 2kdb s MET 73 CO -0.11 0.29 0.04 0.08 -2.03 0.00 0.00 175.02 173.30 2kdb s VAL 74 N -0.11 0.04 -0.12 5.16 1.01 0.05 -4.49 120.40 121.94 2kdb s VAL 74 Ca 0.40 -0.34 -0.13 0.00 0.00 0.00 0.00 61.98 61.90 2kdb s VAL 74 Cb -0.21 -0.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 2kdb s VAL 74 CO 0.24 -0.19 0.31 -1.00 0.00 0.00 0.00 175.10 174.47 2kdb s HIS 75 N -0.56 3.54 -0.67 5.22 3.76 -0.24 -1.32 115.29 125.03 2kdb s HIS 75 Ca -0.06 0.69 -0.17 0.00 -0.15 0.00 0.00 55.06 55.38 2kdb s HIS 75 Cb -0.04 -2.30 0.15 0.00 1.11 0.00 0.00 32.58 31.50 2kdb s HIS 75 CO -0.00 0.38 0.68 -1.17 -0.85 0.00 0.00 174.74 173.79 2kdb s LEU 76 N -0.04 6.03 0.00 0.89 2.96 -0.34 -0.22 118.68 127.96 2kdb s LEU 76 Ca 0.18 -1.96 0.22 0.00 -0.22 0.00 0.00 54.13 52.35 2kdb s LEU 76 Cb -0.14 -2.25 1.31 0.00 0.50 0.00 0.00 46.19 45.61 2kdb s LEU 76 CO 0.06 -0.87 1.69 0.55 -1.32 0.00 0.00 176.35 176.46