#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 2.31 -0.48 -1.45 1.01 -0.60 -4.91 120.40 116.27 2kdb s VAL 2 Ca 0.00 -0.96 -0.28 0.00 0.00 0.00 0.00 61.98 60.73 2kdb s VAL 2 Cb 0.00 -1.88 0.03 0.00 0.00 0.00 0.00 36.38 34.53 2kdb s VAL 2 CO 0.00 0.56 1.11 -0.89 0.00 0.00 0.00 175.10 175.88 2kdb s THR 3 N -0.03 4.24 -0.55 3.92 2.01 0.30 -0.74 115.64 124.79 2kdb s THR 3 Ca -0.07 1.15 -0.14 0.00 0.31 0.00 0.00 61.69 62.95 2kdb s THR 3 Cb -0.15 -4.59 0.14 0.00 0.01 0.00 0.00 72.50 67.91 2kdb s THR 3 CO 0.05 -1.00 0.49 -0.22 -0.69 0.00 0.00 174.62 173.25 2kdb s LEU 4 N 4.37 6.10 -0.84 4.42 2.96 0.03 -1.30 118.68 134.41 2kdb s LEU 4 Ca 0.46 -1.95 -0.24 0.00 -0.22 0.00 0.00 54.13 52.19 2kdb s LEU 4 Cb -0.07 -2.15 0.06 0.00 0.50 0.00 0.00 46.19 44.53 2kdb s LEU 4 CO 0.31 -0.77 1.25 -0.63 -1.32 0.00 0.00 176.35 175.19 2kdb s ILE 5 N 1.34 4.03 -0.37 6.68 1.01 0.08 -1.43 121.20 132.55 2kdb s ILE 5 Ca 0.06 -0.37 -0.28 0.00 0.00 0.00 0.00 60.65 60.05 2kdb s ILE 5 Cb -0.27 -4.90 0.02 0.00 0.01 0.00 0.00 42.46 37.32 2kdb s ILE 5 CO 0.01 -1.76 1.06 -0.63 0.00 0.00 0.00 174.94 173.62 2kdb s ILE 6 N 4.77 4.45 -0.39 2.92 -1.09 -0.31 -0.99 121.20 130.56 2kdb s ILE 6 Ca 0.36 1.52 -0.07 0.00 -2.23 0.00 0.00 60.65 60.23 2kdb s ILE 6 Cb -0.07 -4.45 0.07 0.00 -1.58 0.00 0.00 42.46 36.44 2kdb s ILE 6 CO 0.03 -0.62 0.19 -0.54 -1.23 0.00 0.00 174.94 172.77 2kdb s LYS 7 N 3.81 2.50 0.75 2.79 1.02 -0.64 -1.37 119.74 128.61 2kdb s LYS 7 Ca 0.45 -1.42 -0.12 0.00 0.02 0.00 0.00 55.97 54.89 2kdb s LYS 7 Cb -0.11 -3.62 0.05 0.00 -0.52 0.00 0.00 37.83 33.62 2kdb s LYS 7 CO 0.20 -0.87 1.11 0.00 -0.92 0.00 0.00 175.35 174.86 2kdb s ALA 8 N 1.36 2.26 -1.12 5.17 0.00 -1.04 -1.28 121.76 127.11 2kdb s ALA 8 Ca 0.02 0.40 0.24 0.00 0.00 0.00 0.00 51.96 52.62 2kdb s ALA 8 Cb -0.22 -3.31 1.10 0.00 0.00 0.00 0.00 23.12 20.70 2kdb s ALA 8 CO 0.01 -1.69 1.79 -0.35 0.00 0.00 0.00 175.76 175.52 2kdb n PRO 9 N -3.21 0.10 0.13 0.00 -0.04 -1.22 -2.89 135.00 127.88 2kdb n PRO 9 Ca 0.10 0.07 -0.01 0.00 -0.04 0.00 0.00 63.50 63.62 2kdb n PRO 9 Cb 0.53 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.67 2kdb n PRO 9 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 2kdb h ASN 10 N 0.00 0.04 0.00 3.54 -0.73 -1.92 -3.48 115.58 113.04 2kdb h ASN 10 Ca 0.00 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.15 2kdb h ASN 10 Cb 0.37 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.94 2kdb h ASN 10 CO 0.00 0.62 0.00 1.67 -0.37 0.00 0.00 177.43 179.35 2kdb n GLN 11 N -3.85 0.00 -0.30 6.67 -0.06 -1.14 -4.59 117.38 114.12 2kdb n GLN 11 Ca -0.01 0.00 -0.03 0.00 -2.00 0.00 0.00 57.00 54.95 2kdb n GLN 11 Cb 0.59 -0.05 0.08 0.00 -4.06 0.00 0.00 30.24 26.81 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 0.00 1.05 -5.89 3.69 3.64 -1.92 -3.12 116.57 114.02 2kdb h LYS 12 Ca 0.00 -0.06 -0.49 0.00 -1.27 0.00 0.00 60.65 58.83 2kdb h LYS 12 Cb 0.00 -0.24 -0.08 0.00 -0.41 0.00 0.00 32.23 31.51 2kdb h LYS 12 CO 0.00 0.69 1.30 0.71 -2.27 0.00 0.00 179.45 179.89 2kdb s TYR 13 N -6.12 2.27 0.00 1.91 1.51 -1.26 -4.98 117.35 110.68 2kdb s TYR 13 Ca -0.13 -0.34 0.00 0.00 -1.01 0.00 0.00 57.07 55.59 2kdb s TYR 13 Cb 0.16 -4.43 0.00 0.00 -0.11 0.00 0.00 41.96 37.58 2kdb s TYR 13 CO 0.79 -1.79 0.00 -1.13 -1.11 0.00 0.00 175.55 172.31 2kdb n SER 14 N 11.00 0.00 -4.68 2.29 3.41 -1.18 -2.50 113.62 121.96 2kdb n SER 14 Ca 0.39 0.00 -0.47 0.00 -0.26 0.00 0.00 58.87 58.53 2kdb n SER 14 Cb 0.49 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.39 2kdb n SER 14 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2kdb n ASP 15 N 0.00 3.38 -3.87 4.04 5.75 -1.26 -4.11 116.55 120.47 2kdb n ASP 15 Ca 0.00 1.01 -0.30 0.00 -0.01 0.00 0.00 54.79 55.50 2kdb n ASP 15 Cb 0.00 -1.41 -0.16 0.00 -1.03 0.00 0.00 41.12 38.53 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 2.85 1.29 -0.82 0.11 -0.21 -0.47 -4.95 119.66 117.46 2kdb s GLN 16 Ca 0.87 -0.89 -0.25 0.00 0.02 0.00 0.00 55.36 55.11 2kdb s GLN 16 Cb -0.67 -2.44 -0.00 0.00 1.00 0.00 0.00 33.01 30.90 2kdb s GLN 16 CO 0.45 -0.66 1.67 0.95 -2.12 0.00 0.00 175.29 175.59 2kdb s THR 17 N 1.51 3.59 -0.28 -0.19 -4.23 -1.26 -1.17 115.64 113.61 2kdb s THR 17 Ca -0.03 -0.15 -0.16 0.00 -1.18 0.00 0.00 61.69 60.17 2kdb s THR 17 Cb -0.18 -4.42 -0.03 0.00 1.34 0.00 0.00 72.50 69.21 2kdb s THR 17 CO -0.08 -1.35 0.44 -0.63 -0.54 0.00 0.00 174.62 172.45 2kdb s ILE 18 N 7.75 5.12 0.15 2.99 -1.09 -0.51 -4.92 121.20 130.68 2kdb s ILE 18 Ca 0.57 0.64 -0.31 0.00 -2.23 0.00 0.00 60.65 59.32 2kdb s ILE 18 Cb -0.07 -3.78 -0.09 0.00 -1.58 0.00 0.00 42.46 36.94 2kdb s ILE 18 CO 0.06 0.09 1.47 -0.94 -1.23 0.00 0.00 174.94 174.38 2kdb s SER 19 N 1.62 6.72 0.25 3.58 1.04 -1.26 -0.79 113.70 124.85 2kdb s SER 19 Ca 0.17 2.47 -0.01 0.00 0.48 0.00 0.00 55.95 59.07 2kdb s SER 19 Cb -0.16 -2.59 -0.03 0.00 0.10 0.00 0.00 66.02 63.34 2kdb s SER 19 CO 0.10 -0.72 0.24 0.00 0.98 0.00 0.00 173.24 173.84 2kdb s PHE 21 N -3.88 1.00 -0.68 0.00 0.08 -1.26 -1.56 117.98 111.67 2kdb s PHE 21 Ca 0.36 -0.28 0.23 0.00 0.12 0.00 0.00 56.93 57.37 2kdb s PHE 21 Cb 0.04 -0.74 0.90 0.00 -0.57 0.00 0.00 43.02 42.66 2kdb s PHE 21 CO 0.16 -0.14 1.71 1.28 -0.10 0.00 0.00 175.22 178.12 2kdb n LEU 22 N 3.49 0.53 -0.16 -0.37 4.77 -1.26 -3.11 117.00 120.89 2kdb n LEU 22 Ca -0.20 0.60 -0.02 0.00 -0.03 0.00 0.00 56.01 56.35 2kdb n LEU 22 Cb 0.53 -0.49 0.07 0.00 -2.33 0.00 0.00 43.42 41.20 2kdb n LEU 22 CO 0.25 -0.36 0.91 -1.13 -1.33 0.00 0.00 177.39 175.73 2kdb h ASN 23 N 0.00 0.02 -4.44 -1.43 -1.24 -1.98 -3.09 115.58 103.43 2kdb h ASN 23 Ca 0.00 0.09 -0.48 0.00 0.71 0.00 0.00 56.30 56.62 2kdb h ASN 23 Cb 0.45 0.11 0.10 0.00 0.73 0.00 0.00 38.32 39.72 2kdb h ASN 23 CO 0.00 0.04 0.37 0.26 -1.29 0.00 0.00 177.43 176.81 2kdb s TRP 24 N -6.14 2.95 0.81 0.67 0.51 -1.18 -4.89 118.94 111.68 2kdb s TRP 24 Ca -0.13 0.94 -0.12 0.00 -2.12 0.00 0.00 56.10 54.67 2kdb s TRP 24 Cb 0.15 -3.28 0.08 0.00 -0.81 0.00 0.00 33.47 29.62 2kdb s TRP 24 CO 0.73 -1.72 1.15 0.95 -0.51 0.00 0.00 176.95 177.54 2kdb s THR 25 N -3.37 2.37 0.28 2.01 -4.23 -1.26 -2.73 115.64 108.71 2kdb s THR 25 Ca 0.61 0.12 0.01 0.00 -1.18 0.00 0.00 61.69 61.25 2kdb s THR 25 Cb -0.12 -3.04 0.27 0.00 1.34 0.00 0.00 72.50 70.95 2kdb s THR 25 CO 0.52 -0.16 1.82 0.58 -0.54 0.00 0.00 174.62 176.84 2kdb h VAL 26 N -1.09 0.88 -0.39 2.29 2.07 -1.43 -2.38 116.25 116.20 2kdb h VAL 26 Ca -0.47 -0.31 -0.10 0.00 0.82 0.00 0.00 66.70 66.64 2kdb h VAL 26 Cb 1.31 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2kdb h VAL 26 CO 0.64 0.17 -0.13 1.23 0.02 0.00 0.00 177.57 179.49 2kdb h GLY 27 N 0.92 0.85 1.15 2.17 0.00 -1.71 -0.37 103.07 106.07 2kdb h GLY 27 Ca 0.49 -0.72 -0.10 0.00 0.00 0.00 0.00 47.33 47.00 2kdb h GLY 27 CO -0.28 0.66 -0.05 0.50 0.00 0.00 0.00 176.54 177.37 2kdb h LYS 28 N 0.59 1.00 -0.17 4.80 6.56 -1.78 -0.04 116.57 127.53 2kdb h LYS 28 Ca 0.09 -0.33 -0.15 0.00 -1.06 0.00 0.00 60.65 59.20 2kdb h LYS 28 Cb 0.67 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.24 2kdb h LYS 28 CO 0.05 1.01 -0.54 1.25 -2.06 0.00 0.00 179.45 179.16 2kdb h LEU 29 N 0.91 0.56 -1.18 2.94 7.12 -1.45 -1.94 115.31 122.27 2kdb h LEU 29 Ca 0.15 -0.30 -0.07 0.00 0.13 0.00 0.00 57.88 57.80 2kdb h LEU 29 Cb 0.59 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 40.55 2kdb h LEU 29 CO 0.04 0.99 -0.23 0.50 -0.13 0.00 0.00 178.44 179.61 2kdb h LYS 30 N 0.39 0.28 -0.20 1.25 3.64 -0.70 0.11 116.57 121.34 2kdb h LYS 30 Ca 0.01 -0.09 -0.14 0.00 -1.27 0.00 0.00 60.65 59.16 2kdb h LYS 30 Cb 1.07 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 2kdb h LYS 30 CO 0.10 0.50 -0.41 1.15 -2.27 0.00 0.00 179.45 178.53 2kdb h THR 31 N 0.26 1.32 -0.95 1.00 2.02 -0.90 -1.01 112.91 114.65 2kdb h THR 31 Ca 0.04 -1.63 0.07 0.00 0.77 0.00 0.00 66.41 65.66 2kdb h THR 31 Cb 0.55 1.85 -0.06 0.00 -1.74 0.00 0.00 68.15 68.75 2kdb h THR 31 CO 0.04 0.51 0.62 -0.74 0.37 0.00 0.00 175.52 176.31 2kdb h HIS 32 N 0.32 1.12 -0.35 3.16 -0.00 -0.88 -1.41 115.15 117.11 2kdb h HIS 32 Ca 0.01 0.03 -0.13 0.00 -0.00 0.00 0.00 60.37 60.28 2kdb h HIS 32 Cb 1.01 -0.37 -0.01 0.00 -0.00 0.00 0.00 27.41 28.04 2kdb h HIS 32 CO 0.09 0.58 -0.30 -0.07 -0.00 0.00 0.00 177.93 178.23 2kdb h LEU 33 N 1.09 0.79 -2.55 0.26 3.38 -0.69 -0.56 115.31 117.02 2kdb h LEU 33 Ca 0.41 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2kdb h LEU 33 Cb 0.20 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2kdb h LEU 33 CO -0.16 1.03 -0.01 -1.28 0.09 0.00 0.00 178.44 178.12 2kdb h SER 34 N 0.65 0.00 0.03 -0.43 0.87 -0.08 -0.05 113.55 114.53 2kdb h SER 34 Ca 0.07 0.00 -0.38 0.00 -1.23 0.00 0.00 61.79 60.25 2kdb h SER 34 Cb 0.83 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.74 2kdb h SER 34 CO 0.07 0.01 -2.24 0.59 -0.53 0.00 0.00 176.83 174.72 2kdb n ASN 35 N -3.16 2.00 -0.02 6.23 3.02 -0.97 -4.53 115.26 117.83 2kdb n ASN 35 Ca -0.02 0.11 0.03 0.00 -0.03 0.00 0.00 54.58 54.67 2kdb n ASN 35 Cb 0.14 -0.67 -0.15 0.00 -0.61 0.00 0.00 39.78 38.49 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 -3.66 0.59 -2.39 2.41 0.24 -0.25 -4.95 118.33 110.32 2kdb n VAL 36 Ca -0.43 -0.63 -0.41 0.00 -2.04 0.00 0.00 64.34 60.82 2kdb n VAL 36 Cb 0.95 -0.25 -0.03 0.00 -1.47 0.00 0.00 33.84 33.04 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 -3.13 3.45 0.20 6.34 5.04 -0.05 -4.95 117.35 124.25 2kdb s TYR 37 Ca -0.08 1.44 -0.10 0.00 -2.44 0.00 0.00 57.07 55.89 2kdb s TYR 37 Cb 0.11 -3.41 0.28 0.00 0.35 0.00 0.00 41.96 39.28 2kdb s TYR 37 CO 0.87 -1.14 1.24 -2.30 -1.34 0.00 0.00 175.55 172.88 2kdb n PRO 38 N 2.59 -0.13 0.11 4.97 -0.02 -1.26 -1.20 135.00 140.07 2kdb n PRO 38 Ca 0.04 1.23 -0.03 0.00 -2.02 0.00 0.00 63.50 62.72 2kdb n PRO 38 Cb 0.45 -1.84 0.09 0.00 -0.02 0.00 0.00 33.50 32.18 2kdb n PRO 38 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2kdb h SER 39 N 0.00 0.05 -5.91 2.55 0.87 -1.93 -3.49 113.55 105.69 2kdb h SER 39 Ca 0.33 -0.03 -0.19 0.00 -1.23 0.00 0.00 61.79 60.66 2kdb h SER 39 Cb 0.53 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2kdb h SER 39 CO -0.81 0.75 -0.48 0.29 -0.53 0.00 0.00 176.83 176.06 2kdb n LYS 40 N -3.70 -1.50 -2.60 2.24 5.02 -0.34 -5.03 118.16 112.24 2kdb n LYS 40 Ca -0.01 1.27 -0.23 0.00 -2.02 0.00 0.00 58.31 57.32 2kdb n LYS 40 Cb 0.70 -4.36 0.08 0.00 -0.02 0.00 0.00 35.03 31.43 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 -3.65 2.01 -0.06 1.97 0.04 -1.26 -5.00 135.00 129.05 2kdb s PRO 41 Ca 0.03 -0.99 -0.30 0.00 0.04 0.00 0.00 61.00 59.79 2kdb s PRO 41 Cb -0.01 -2.39 -0.02 0.00 0.04 0.00 0.00 34.50 32.12 2kdb s PRO 41 CO 0.81 -1.17 1.03 -0.51 0.04 0.00 0.00 177.00 177.19 2kdb s LEU 42 N -5.00 4.29 0.13 -3.56 1.43 -1.26 -4.55 118.68 110.17 2kdb s LEU 42 Ca 0.63 1.62 -0.19 0.00 -1.03 0.00 0.00 54.13 55.15 2kdb s LEU 42 Cb -0.07 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.57 2kdb s LEU 42 CO 0.42 -0.40 1.72 0.71 0.23 0.00 0.00 176.35 179.03 2kdb h THR 43 N 4.97 0.84 0.00 5.49 1.35 -1.90 -0.85 112.91 122.81 2kdb h THR 43 Ca -0.35 -0.02 -0.01 0.00 -0.55 0.00 0.00 66.41 65.48 2kdb h THR 43 Cb 1.17 0.76 -0.00 0.00 -1.73 0.00 0.00 68.15 68.35 2kdb h THR 43 CO 0.82 0.01 -0.05 0.07 -0.25 0.00 0.00 175.52 176.13 2kdb h LYS 44 N 0.07 0.00 0.06 4.72 2.10 -1.97 -3.04 116.57 118.51 2kdb h LYS 44 Ca 0.11 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.39 2kdb h LYS 44 Cb 0.13 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.42 2kdb h LYS 44 CO -0.18 0.05 -2.13 -3.47 -2.00 0.00 0.00 179.45 171.72 2kdb n ASP 45 N -3.75 1.75 -4.72 7.07 2.03 -0.87 -4.92 116.55 113.13 2kdb n ASP 45 Ca -0.02 0.12 -0.41 0.00 0.52 0.00 0.00 54.79 55.00 2kdb n ASP 45 Cb 0.15 -0.47 -0.04 0.00 -0.72 0.00 0.00 41.12 40.03 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 -2.55 4.51 0.30 -0.67 -1.52 -0.38 -4.98 119.66 114.37 2kdb s GLN 46 Ca -0.23 1.16 0.10 0.00 -1.95 0.00 0.00 55.36 54.44 2kdb s GLN 46 Cb 0.07 -3.44 -0.05 0.00 -0.22 0.00 0.00 33.01 29.38 2kdb s GLN 46 CO 0.73 0.05 -0.08 1.03 -0.25 0.00 0.00 175.29 176.78 2kdb s ARG 47 N 0.73 1.97 -0.20 2.91 1.81 -1.26 -4.89 118.95 120.02 2kdb s ARG 47 Ca 0.44 -1.69 0.01 0.00 -1.72 0.00 0.00 55.73 52.78 2kdb s ARG 47 Cb -0.20 -1.91 0.04 0.00 -0.45 0.00 0.00 34.95 32.43 2kdb s ARG 47 CO 0.23 0.27 -0.10 -0.51 -0.68 0.00 0.00 175.30 174.51 2kdb s LEU 48 N -3.62 2.33 -0.23 2.53 1.43 -1.26 -0.73 118.68 119.13 2kdb s LEU 48 Ca 0.32 -0.91 -0.06 0.00 -1.03 0.00 0.00 54.13 52.45 2kdb s LEU 48 Cb -0.03 -1.25 -0.02 0.00 0.03 0.00 0.00 46.19 44.91 2kdb s LEU 48 CO 0.18 -0.15 0.03 -0.69 0.23 0.00 0.00 176.35 175.95 2kdb s VAL 49 N 1.38 4.08 -0.07 -1.59 1.01 -0.06 -0.41 120.40 124.74 2kdb s VAL 49 Ca -0.02 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.73 2kdb s VAL 49 Cb -0.16 -2.88 0.01 0.00 0.00 0.00 0.00 36.38 33.35 2kdb s VAL 49 CO -0.08 0.38 -0.11 -0.47 0.00 0.00 0.00 175.10 174.81 2kdb s TYR 50 N 1.40 1.42 -1.81 5.22 5.04 0.01 -0.85 117.35 127.77 2kdb s TYR 50 Ca 0.05 -0.54 0.00 0.00 -2.44 0.00 0.00 57.07 54.14 2kdb s TYR 50 Cb -0.15 -1.07 0.00 0.00 0.35 0.00 0.00 41.96 41.10 2kdb s TYR 50 CO 0.02 -0.30 0.00 0.45 -1.34 0.00 0.00 175.55 174.38 2kdb n SER 51 N 3.94 -5.53 0.00 4.32 2.88 -1.26 -1.86 113.62 116.11 2kdb n SER 51 Ca -0.22 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 2kdb n SER 51 Cb 0.51 -4.63 0.00 0.00 -0.75 0.00 0.00 64.21 59.34 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 -0.87 0.54 3.21 0.46 0.00 -1.26 -5.06 105.19 102.22 2kdb n GLY 52 Ca -0.22 -0.41 -0.16 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.84 0.94 0.16 1.61 1.70 -0.78 -5.14 118.95 116.60 2kdb s ARG 53 Ca 0.00 -1.21 -0.28 0.00 -0.47 0.00 0.00 55.73 53.77 2kdb s ARG 53 Cb 0.00 -0.70 -0.07 0.00 -0.57 0.00 0.00 34.95 33.61 2kdb s ARG 53 CO 0.00 0.12 0.88 -1.17 -1.08 0.00 0.00 175.30 174.05 2kdb s LEU 54 N -2.49 4.57 -0.51 -1.89 2.96 -1.26 -0.81 118.68 119.25 2kdb s LEU 54 Ca 0.08 1.77 -0.09 0.00 -0.22 0.00 0.00 54.13 55.66 2kdb s LEU 54 Cb -0.03 -3.48 0.13 0.00 0.50 0.00 0.00 46.19 43.31 2kdb s LEU 54 CO 0.01 0.10 0.39 -0.76 -1.32 0.00 0.00 176.35 174.77 2kdb s LEU 55 N -0.72 5.76 0.45 -0.68 1.43 0.45 -4.92 118.68 120.46 2kdb s LEU 55 Ca 0.41 -2.03 -0.22 0.00 -1.03 0.00 0.00 54.13 51.25 2kdb s LEU 55 Cb -0.24 -2.02 -0.08 0.00 0.03 0.00 0.00 46.19 43.88 2kdb s LEU 55 CO 0.29 -0.67 1.10 -2.16 0.23 0.00 0.00 176.35 175.14 2kdb s PRO 56 N 1.18 3.86 0.39 1.29 0.04 -1.26 -4.11 135.00 136.40 2kdb s PRO 56 Ca 0.07 1.59 0.28 0.00 0.04 0.00 0.00 61.00 62.98 2kdb s PRO 56 Cb -0.25 -2.35 1.33 0.00 0.04 0.00 0.00 34.50 33.27 2kdb s PRO 56 CO -0.01 -0.42 1.85 0.38 0.04 0.00 0.00 177.00 178.83 2kdb h ASP 57 N 2.02 0.00 1.02 6.66 3.04 -1.96 -3.01 116.42 124.19 2kdb h ASP 57 Ca -0.49 0.00 -0.09 0.00 -3.24 0.00 0.00 57.03 53.20 2kdb h ASP 57 Cb 1.23 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.51 2kdb h ASP 57 CO 0.60 0.00 -0.45 1.12 -2.04 0.00 0.00 179.24 178.47 2kdb h HIS 58 N 0.00 0.00 -1.95 4.15 2.07 -1.97 -2.65 115.15 114.81 2kdb h HIS 58 Ca 0.00 0.00 -0.49 0.00 -2.85 0.00 0.00 60.37 57.03 2kdb h HIS 58 Cb 0.23 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.18 2kdb h HIS 58 CO 0.00 0.45 -0.45 -0.48 -3.07 0.00 0.00 177.93 174.38 2kdb s LEU 59 N -6.89 3.76 0.20 6.12 0.05 -1.14 -4.96 118.68 115.83 2kdb s LEU 59 Ca 0.01 -0.34 -0.25 0.00 0.05 0.00 0.00 54.13 53.59 2kdb s LEU 59 Cb 0.10 -2.38 -0.08 0.00 -2.05 0.00 0.00 46.19 41.78 2kdb s LEU 59 CO 0.71 -0.27 0.82 -1.10 -0.55 0.00 0.00 176.35 175.96 2kdb s GLN 60 N -3.98 4.58 0.30 1.48 1.11 -1.26 -1.55 119.66 120.33 2kdb s GLN 60 Ca 0.39 1.20 0.05 0.00 0.01 0.00 0.00 55.36 57.00 2kdb s GLN 60 Cb -0.07 -3.16 0.71 0.00 -1.01 0.00 0.00 33.01 29.48 2kdb s GLN 60 CO 0.27 0.51 1.77 -0.07 0.01 0.00 0.00 175.29 177.77 2kdb h LEU 61 N 4.04 0.71 -0.85 2.90 3.38 -1.61 -2.69 115.31 121.19 2kdb h LEU 61 Ca -0.47 0.10 0.21 0.00 0.09 0.00 0.00 57.88 57.81 2kdb h LEU 61 Cb 1.20 -0.02 -0.15 0.00 0.09 0.00 0.00 40.66 41.78 2kdb h LEU 61 CO 0.66 0.24 0.03 0.07 0.09 0.00 0.00 178.44 179.54 2kdb h LYS 62 N 0.71 0.09 -0.96 1.13 2.10 -1.80 -0.88 116.57 116.95 2kdb h LYS 62 Ca 0.56 -0.01 0.28 0.00 -2.00 0.00 0.00 60.65 59.48 2kdb h LYS 62 Cb 0.88 -0.02 -0.14 0.00 -0.90 0.00 0.00 32.23 32.05 2kdb h LYS 62 CO -0.39 0.06 0.47 0.22 -2.00 0.00 0.00 179.45 177.80 2kdb h ASP 63 N 0.09 0.38 0.00 7.07 3.58 -1.81 0.62 116.42 126.35 2kdb h ASP 63 Ca 0.49 0.18 -0.22 0.00 0.42 0.00 0.00 57.03 57.90 2kdb h ASP 63 Cb 0.92 0.16 -0.04 0.00 1.72 0.00 0.00 39.33 42.09 2kdb h ASP 63 CO -0.75 -0.09 -1.99 -0.38 -2.88 0.00 0.00 179.24 173.15 2kdb n ILE 64 N -5.07 0.84 -0.45 2.25 -0.00 -0.92 -4.53 119.36 111.48 2kdb n ILE 64 Ca 0.27 -0.59 0.09 0.00 -0.00 0.00 0.00 62.75 62.52 2kdb n ILE 64 Cb 0.84 -0.45 0.34 0.00 -0.00 0.00 0.00 39.64 40.36 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 -2.47 4.46 0.22 1.39 4.77 -0.38 -4.18 117.00 120.81 2kdb n LEU 65 Ca -0.20 -2.25 0.09 0.00 -0.03 0.00 0.00 56.01 53.62 2kdb n LEU 65 Cb 0.88 -0.56 0.50 0.00 -2.33 0.00 0.00 43.42 41.92 2kdb n LEU 65 CO 0.33 0.79 0.82 -0.09 -1.33 0.00 0.00 177.39 177.90 2kdb h ARG 66 N 3.92 0.00 0.03 3.23 2.43 -1.13 -3.09 114.38 119.75 2kdb h ARG 66 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2kdb h ARG 66 Cb 1.34 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.89 2kdb h ARG 66 CO 0.20 0.25 -0.01 0.87 -1.51 0.00 0.00 179.97 179.76 2kdb h LYS 67 N 0.00 -0.04 0.00 0.20 1.57 -1.86 -3.30 116.57 113.14 2kdb h LYS 67 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2kdb h LYS 67 Cb 0.64 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 2kdb h LYS 67 CO 0.03 -0.02 -1.11 1.96 -0.57 0.00 0.00 179.45 179.74 2kdb h GLN 68 N -0.04 0.00 0.00 3.15 7.50 -1.89 -3.48 115.11 120.35 2kdb h GLN 68 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2kdb h GLN 68 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.56 2kdb h GLN 68 CO 0.00 0.11 0.00 -3.47 -1.50 0.00 0.00 178.83 173.98 2kdb n ASP 69 N -2.78 0.00 0.00 1.46 2.03 -1.17 -4.60 116.55 111.49 2kdb n ASP 69 Ca -0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.28 2kdb n ASP 69 Cb 0.66 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.06 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 -4.67 -0.67 2.13 -1.26 -4.72 120.64 111.45 2kdb n GLU 70 Ca 0.00 0.84 -0.23 0.00 0.66 0.00 0.00 57.16 58.43 2kdb n GLU 70 Cb 0.00 -1.50 -0.15 0.00 0.27 0.00 0.00 31.44 30.07 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 -2.99 1.44 -0.21 4.31 1.13 -1.26 -0.54 117.35 119.24 2kdb s TYR 71 Ca 0.00 -0.29 -0.04 0.00 -1.41 0.00 0.00 57.07 55.33 2kdb s TYR 71 Cb 0.00 -0.90 0.09 0.00 -1.10 0.00 0.00 41.96 40.05 2kdb s TYR 71 CO 0.00 -0.00 0.21 -1.01 -2.51 0.00 0.00 175.55 172.24 2kdb s HIS 72 N -0.50 -0.23 -0.71 -3.49 3.76 -0.42 -4.86 115.29 108.84 2kdb s HIS 72 Ca 0.06 0.11 -0.27 0.00 -0.15 0.00 0.00 55.06 54.81 2kdb s HIS 72 Cb -0.07 -0.41 0.02 0.00 1.11 0.00 0.00 32.58 33.23 2kdb s HIS 72 CO -0.00 -0.62 1.35 0.00 -0.85 0.00 0.00 174.74 174.61 2kdb s MET 73 N 2.31 3.15 -0.13 1.40 0.23 -1.26 -0.74 119.30 124.26 2kdb s MET 73 Ca 0.07 -0.08 -0.03 0.00 -1.03 0.00 0.00 55.69 54.63 2kdb s MET 73 Cb -0.16 -4.19 -0.03 0.00 -1.53 0.00 0.00 34.83 28.93 2kdb s MET 73 CO -0.14 -2.18 -0.05 0.08 -2.03 0.00 0.00 175.02 170.71 2kdb s VAL 74 N 6.09 3.84 -0.03 5.16 1.01 -0.16 -4.71 120.40 131.59 2kdb s VAL 74 Ca 0.40 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 2kdb s VAL 74 Cb -0.09 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 2kdb s VAL 74 CO 0.17 0.52 1.04 -1.00 0.00 0.00 0.00 175.10 175.83 2kdb s HIS 75 N 0.07 3.53 0.41 5.22 3.76 -0.03 -1.61 115.29 126.63 2kdb s HIS 75 Ca -0.01 1.55 -0.22 0.00 -0.15 0.00 0.00 55.06 56.23 2kdb s HIS 75 Cb -0.14 -3.22 -0.10 0.00 1.11 0.00 0.00 32.58 30.23 2kdb s HIS 75 CO 0.03 -0.41 0.97 -1.17 -0.85 0.00 0.00 174.74 173.31 2kdb s LEU 76 N 1.49 4.04 0.00 0.89 2.96 -0.41 -0.88 118.68 126.77 2kdb s LEU 76 Ca 0.52 1.79 0.00 0.00 -0.22 0.00 0.00 54.13 56.23 2kdb s LEU 76 Cb -0.22 -4.39 0.00 0.00 0.50 0.00 0.00 46.19 42.09 2kdb s LEU 76 CO 0.24 -0.37 0.42 0.52 -1.32 0.00 0.00 176.35 175.84