#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 2.23 -0.78 -1.45 1.01 -0.18 -4.73 120.40 116.50 2kdb s VAL 2 Ca 0.00 -0.95 -0.21 0.00 0.00 0.00 0.00 61.98 60.81 2kdb s VAL 2 Cb 0.00 -1.87 0.09 0.00 0.00 0.00 0.00 36.38 34.60 2kdb s VAL 2 CO 0.00 0.55 1.06 -0.89 0.00 0.00 0.00 175.10 175.82 2kdb s THR 3 N 0.41 4.42 -0.59 3.92 2.01 -0.14 -0.97 115.64 124.71 2kdb s THR 3 Ca -0.16 -0.80 -0.18 0.00 0.31 0.00 0.00 61.69 60.86 2kdb s THR 3 Cb -0.17 -4.75 0.12 0.00 0.01 0.00 0.00 72.50 67.71 2kdb s THR 3 CO 0.07 -1.52 0.65 -0.22 -0.69 0.00 0.00 174.62 172.92 2kdb s LEU 4 N 3.68 5.67 -0.82 4.42 2.96 -0.32 -1.48 118.68 132.79 2kdb s LEU 4 Ca 0.28 -1.59 -0.24 0.00 -0.22 0.00 0.00 54.13 52.35 2kdb s LEU 4 Cb -0.11 -2.27 0.06 0.00 0.50 0.00 0.00 46.19 44.36 2kdb s LEU 4 CO 0.02 -1.02 1.23 -0.63 -1.32 0.00 0.00 176.35 174.63 2kdb s ILE 5 N 2.28 4.04 -0.46 6.68 1.01 0.13 -1.29 121.20 133.59 2kdb s ILE 5 Ca 0.10 -0.33 -0.22 0.00 0.00 0.00 0.00 60.65 60.19 2kdb s ILE 5 Cb -0.25 -4.88 0.03 0.00 0.01 0.00 0.00 42.46 37.36 2kdb s ILE 5 CO 0.04 -1.74 0.73 -0.63 0.00 0.00 0.00 174.94 173.34 2kdb s ILE 6 N 4.76 4.72 -0.06 2.92 -1.09 -0.16 -0.74 121.20 131.55 2kdb s ILE 6 Ca 0.35 0.22 -0.14 0.00 -2.23 0.00 0.00 60.65 58.85 2kdb s ILE 6 Cb -0.08 -4.29 -0.05 0.00 -1.58 0.00 0.00 42.46 36.46 2kdb s ILE 6 CO 0.04 -0.71 0.37 -0.54 -1.23 0.00 0.00 174.94 172.87 2kdb s LYS 7 N 3.10 3.98 0.73 2.79 1.02 -0.63 -1.35 119.74 129.37 2kdb s LYS 7 Ca 0.26 0.30 -0.14 0.00 0.02 0.00 0.00 55.97 56.41 2kdb s LYS 7 Cb -0.13 -3.28 0.04 0.00 -0.52 0.00 0.00 37.83 33.93 2kdb s LYS 7 CO 0.20 0.55 1.15 0.00 -0.92 0.00 0.00 175.35 176.33 2kdb s ALA 8 N -0.58 2.19 0.14 5.17 0.00 -1.25 -0.78 121.76 126.65 2kdb s ALA 8 Ca 0.22 0.65 -0.24 0.00 0.00 0.00 0.00 51.96 52.58 2kdb s ALA 8 Cb -0.15 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 2kdb s ALA 8 CO 0.10 -1.74 1.63 -1.35 0.00 0.00 0.00 175.76 174.41 2kdb h PRO 9 N -0.45 -0.33 -0.02 0.00 0.11 -1.92 -1.93 132.00 127.47 2kdb h PRO 9 Ca -0.46 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2kdb h PRO 9 Cb 1.27 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.45 2kdb h PRO 9 CO 0.51 -0.22 0.00 0.09 -0.21 0.00 0.00 178.00 178.17 2kdb n ASN 10 N -5.38 0.75 -1.44 -2.05 4.13 -1.26 -4.88 115.26 105.13 2kdb n ASN 10 Ca -0.03 -1.31 -0.19 0.00 1.68 0.00 0.00 54.58 54.73 2kdb n ASN 10 Cb 0.29 -0.01 -0.08 0.00 -1.54 0.00 0.00 39.78 38.44 2kdb n ASN 10 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kdb n GLN 11 N -0.39 -1.42 0.16 3.52 6.02 -0.73 -4.88 117.38 119.67 2kdb n GLN 11 Ca 0.20 1.16 0.03 0.00 -0.01 0.00 0.00 57.00 58.38 2kdb n GLN 11 Cb 0.22 -5.51 0.22 0.00 1.02 0.00 0.00 30.24 26.20 2kdb n GLN 11 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 2kdb h LYS 12 N 0.00 0.00 -6.66 -1.09 2.10 -1.90 -3.44 116.57 105.58 2kdb h LYS 12 Ca -0.38 0.00 -0.68 0.00 -2.00 0.00 0.00 60.65 57.58 2kdb h LYS 12 Cb 1.28 0.00 -0.21 0.00 -0.90 0.00 0.00 32.23 32.40 2kdb h LYS 12 CO 0.56 0.48 -0.82 -0.47 -2.00 0.00 0.00 179.45 177.21 2kdb s TYR 13 N -3.43 2.51 0.67 0.07 5.04 -1.26 -5.10 117.35 115.85 2kdb s TYR 13 Ca 0.01 -0.28 -0.17 0.00 -2.44 0.00 0.00 57.07 54.18 2kdb s TYR 13 Cb 0.11 -1.40 0.00 0.00 0.35 0.00 0.00 41.96 41.01 2kdb s TYR 13 CO 0.72 0.29 1.29 -1.12 -1.34 0.00 0.00 175.55 175.39 2kdb s SER 14 N -1.70 4.46 -0.52 4.32 0.01 -1.26 -3.81 113.70 115.20 2kdb s SER 14 Ca 0.15 2.61 -0.27 0.00 1.31 0.00 0.00 55.95 59.75 2kdb s SER 14 Cb -0.10 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.50 2kdb s SER 14 CO 0.07 -2.10 1.72 1.51 0.41 0.00 0.00 173.24 174.85 2kdb s ASP 15 N -1.47 5.67 -0.29 2.44 -4.77 -1.26 -4.64 116.67 112.36 2kdb s ASP 15 Ca 0.82 0.59 -0.25 0.00 -3.30 0.00 0.00 52.55 50.41 2kdb s ASP 15 Cb -0.37 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 38.93 2kdb s ASP 15 CO 0.41 -2.01 0.86 -1.10 0.70 0.00 0.00 175.17 174.03 2kdb s GLN 16 N 6.24 4.06 -0.86 2.11 -1.52 -0.46 -4.74 119.66 124.49 2kdb s GLN 16 Ca 0.67 0.81 -0.25 0.00 -1.95 0.00 0.00 55.36 54.64 2kdb s GLN 16 Cb -0.15 -3.70 0.02 0.00 -0.22 0.00 0.00 33.01 28.96 2kdb s GLN 16 CO 0.25 -0.66 1.52 0.95 -0.25 0.00 0.00 175.29 177.10 2kdb s THR 17 N 3.05 3.71 -0.28 -0.19 -4.23 -1.26 -0.99 115.64 115.45 2kdb s THR 17 Ca 0.36 -0.21 -0.18 0.00 -1.18 0.00 0.00 61.69 60.48 2kdb s THR 17 Cb -0.14 -4.71 -0.02 0.00 1.34 0.00 0.00 72.50 68.96 2kdb s THR 17 CO 0.11 -1.63 0.50 -0.63 -0.54 0.00 0.00 174.62 172.43 2kdb s ILE 18 N 6.52 5.07 0.04 2.99 -1.09 -0.41 -4.85 121.20 129.46 2kdb s ILE 18 Ca 0.49 0.74 -0.30 0.00 -2.23 0.00 0.00 60.65 59.34 2kdb s ILE 18 Cb -0.05 -3.84 -0.07 0.00 -1.58 0.00 0.00 42.46 36.92 2kdb s ILE 18 CO 0.03 0.03 1.54 -0.94 -1.23 0.00 0.00 174.94 174.37 2kdb s SER 19 N 1.60 6.71 0.16 3.58 1.04 -1.26 -1.17 113.70 124.37 2kdb s SER 19 Ca 0.20 2.32 -0.00 0.00 0.48 0.00 0.00 55.95 58.95 2kdb s SER 19 Cb -0.16 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.40 2kdb s SER 19 CO 0.10 -0.81 0.21 0.00 0.98 0.00 0.00 173.24 173.72 2kdb s PHE 21 N -3.84 0.65 -0.60 0.00 0.08 -1.26 -1.01 117.98 112.00 2kdb s PHE 21 Ca 0.14 -0.19 0.21 0.00 0.12 0.00 0.00 56.93 57.22 2kdb s PHE 21 Cb -0.00 -0.41 0.90 0.00 -0.57 0.00 0.00 43.02 42.93 2kdb s PHE 21 CO 0.10 -0.02 1.65 1.28 -0.10 0.00 0.00 175.22 178.14 2kdb n LEU 22 N 2.61 0.51 -0.09 -0.37 4.77 -1.26 -3.59 117.00 119.59 2kdb n LEU 22 Ca -0.15 0.63 -0.07 0.00 -0.03 0.00 0.00 56.01 56.39 2kdb n LEU 22 Cb 0.57 -0.56 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 2kdb n LEU 22 CO 0.24 -0.49 0.69 -1.13 -1.33 0.00 0.00 177.39 175.38 2kdb h ASN 23 N 0.00 -0.80 -4.39 -1.43 -1.24 -1.99 -3.14 115.58 102.59 2kdb h ASN 23 Ca 0.00 0.16 -0.49 0.00 0.71 0.00 0.00 56.30 56.68 2kdb h ASN 23 Cb 0.34 0.39 0.10 0.00 0.73 0.00 0.00 38.32 39.88 2kdb h ASN 23 CO 0.00 -0.27 0.37 0.26 -1.29 0.00 0.00 177.43 176.50 2kdb s TRP 24 N -6.09 3.04 0.84 0.67 0.51 -1.24 -4.86 118.94 111.83 2kdb s TRP 24 Ca -0.15 1.08 -0.12 0.00 -2.12 0.00 0.00 56.10 54.80 2kdb s TRP 24 Cb 0.13 -3.12 0.10 0.00 -0.81 0.00 0.00 33.47 29.77 2kdb s TRP 24 CO 0.69 -1.53 1.13 0.95 -0.51 0.00 0.00 176.95 177.68 2kdb s THR 25 N -3.27 2.45 0.32 2.01 -4.23 -1.26 -2.90 115.64 108.77 2kdb s THR 25 Ca 0.60 0.15 0.03 0.00 -1.18 0.00 0.00 61.69 61.28 2kdb s THR 25 Cb -0.13 -2.95 0.29 0.00 1.34 0.00 0.00 72.50 71.05 2kdb s THR 25 CO 0.53 -0.19 1.91 0.58 -0.54 0.00 0.00 174.62 176.91 2kdb h VAL 26 N -1.24 1.02 -0.15 2.29 2.07 -1.57 -1.67 116.25 117.00 2kdb h VAL 26 Ca -0.48 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 2kdb h VAL 26 Cb 1.31 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2kdb h VAL 26 CO 0.62 0.17 -0.08 1.23 0.02 0.00 0.00 177.57 179.53 2kdb h GLY 27 N 0.92 0.34 1.03 2.17 0.00 -1.83 -0.44 103.07 105.26 2kdb h GLY 27 Ca 0.38 -0.31 -0.08 0.00 0.00 0.00 0.00 47.33 47.32 2kdb h GLY 27 CO -0.15 0.28 0.02 0.50 0.00 0.00 0.00 176.54 177.19 2kdb h LYS 28 N -0.02 0.95 -0.25 4.80 1.79 -1.83 -1.59 116.57 120.42 2kdb h LYS 28 Ca 0.03 -0.29 -0.01 0.00 -2.18 0.00 0.00 60.65 58.20 2kdb h LYS 28 Cb 0.55 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 2kdb h LYS 28 CO 0.02 0.95 0.11 1.25 -1.08 0.00 0.00 179.45 180.71 2kdb h LEU 29 N 0.83 0.33 -1.59 2.94 7.12 -1.34 -2.36 115.31 121.25 2kdb h LEU 29 Ca 0.16 -0.14 -0.04 0.00 0.13 0.00 0.00 57.88 57.98 2kdb h LEU 29 Cb 0.51 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.55 2kdb h LEU 29 CO 0.02 0.38 -0.18 0.50 -0.13 0.00 0.00 178.44 179.03 2kdb h LYS 30 N 0.26 0.03 -0.14 1.25 3.64 -0.82 0.76 116.57 121.54 2kdb h LYS 30 Ca 0.08 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 2kdb h LYS 30 Cb 0.15 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2kdb h LYS 30 CO -0.01 0.22 -0.03 1.15 -2.27 0.00 0.00 179.45 178.51 2kdb h THR 31 N 0.03 1.28 -0.69 1.00 2.02 -1.19 -1.14 112.91 114.22 2kdb h THR 31 Ca 0.00 -0.95 0.08 0.00 0.77 0.00 0.00 66.41 66.31 2kdb h THR 31 Cb 0.35 1.62 -0.06 0.00 -1.74 0.00 0.00 68.15 68.31 2kdb h THR 31 CO 0.02 0.28 0.36 -0.74 0.37 0.00 0.00 175.52 175.81 2kdb h HIS 32 N -0.02 0.65 -0.16 3.16 -0.00 -0.72 -1.85 115.15 116.20 2kdb h HIS 32 Ca 0.04 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.43 2kdb h HIS 32 Cb 0.44 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.65 2kdb h HIS 32 CO 0.05 0.27 0.06 -0.07 -0.00 0.00 0.00 177.93 178.24 2kdb h LEU 33 N 0.63 0.22 -1.97 0.26 3.38 -0.85 -1.28 115.31 115.70 2kdb h LEU 33 Ca 0.32 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.16 2kdb h LEU 33 Cb 0.28 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2kdb h LEU 33 CO -0.23 0.33 0.10 -1.28 0.09 0.00 0.00 178.44 177.45 2kdb h SER 34 N 0.11 0.03 0.03 -0.43 0.87 -0.83 0.19 113.55 113.52 2kdb h SER 34 Ca 0.05 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2kdb h SER 34 Cb 0.17 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2kdb h SER 34 CO -0.00 0.02 -0.01 0.78 -0.53 0.00 0.00 176.83 177.09 2kdb h ASN 35 N 0.04 -0.03 0.55 6.23 2.35 -1.07 -3.36 115.58 120.28 2kdb h ASN 35 Ca 0.06 -0.66 0.00 0.00 -0.55 0.00 0.00 56.30 55.16 2kdb h ASN 35 Cb 0.21 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.59 2kdb h ASN 35 CO -0.00 0.75 -0.16 1.33 -1.65 0.00 0.00 177.43 177.70 2kdb n VAL 36 N -4.72 0.00 -2.68 2.81 0.24 -0.51 -4.77 118.33 108.70 2kdb n VAL 36 Ca -0.08 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.34 61.77 2kdb n VAL 36 Cb 0.33 -0.13 -0.03 0.00 -1.47 0.00 0.00 33.84 32.54 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 -2.71 3.64 0.44 6.34 5.04 0.64 -4.96 117.35 125.79 2kdb s TYR 37 Ca 0.22 1.66 0.11 0.00 -2.44 0.00 0.00 57.07 56.61 2kdb s TYR 37 Cb 0.19 -3.15 0.99 0.00 0.35 0.00 0.00 41.96 40.34 2kdb s TYR 37 CO 0.53 -0.15 2.06 -1.00 -1.34 0.00 0.00 175.55 175.66 2kdb h PRO 38 N 6.78 0.29 -0.18 4.97 0.13 -1.89 -0.98 132.00 141.11 2kdb h PRO 38 Ca -0.41 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 64.55 2kdb h PRO 38 Cb 1.22 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2kdb h PRO 38 CO 0.76 0.23 -0.49 1.03 -0.23 0.00 0.00 178.00 179.30 2kdb h SER 39 N 0.30 0.53 -5.58 1.44 0.87 -1.93 -3.49 113.55 105.69 2kdb h SER 39 Ca 0.08 -0.26 -0.09 0.00 -1.23 0.00 0.00 61.79 60.28 2kdb h SER 39 Cb 0.04 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 2kdb h SER 39 CO -0.01 0.94 -0.58 0.29 -0.53 0.00 0.00 176.83 176.94 2kdb n LYS 40 N -3.98 -2.13 -1.64 2.24 5.02 -0.37 -5.03 118.16 112.27 2kdb n LYS 40 Ca -0.02 1.87 -0.29 0.00 -2.02 0.00 0.00 58.31 57.84 2kdb n LYS 40 Cb 0.56 -4.93 0.11 0.00 -0.02 0.00 0.00 35.03 30.76 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 -2.73 1.57 -0.44 1.97 0.02 -1.26 -5.01 135.00 129.13 2kdb s PRO 41 Ca 0.23 0.31 -0.29 0.00 0.02 0.00 0.00 61.00 61.27 2kdb s PRO 41 Cb -0.05 -1.89 0.02 0.00 0.02 0.00 0.00 34.50 32.60 2kdb s PRO 41 CO 0.79 -1.91 1.18 -0.51 -0.33 0.00 0.00 177.00 176.23 2kdb s LEU 42 N -5.85 3.68 0.32 -5.54 1.43 -1.26 -4.86 118.68 106.59 2kdb s LEU 42 Ca 0.63 0.64 0.03 0.00 -1.03 0.00 0.00 54.13 54.39 2kdb s LEU 42 Cb -0.14 -3.55 0.62 0.00 0.03 0.00 0.00 46.19 43.16 2kdb s LEU 42 CO 0.52 -1.23 1.91 0.74 0.23 0.00 0.00 176.35 178.53 2kdb h THR 43 N 6.19 1.02 0.00 5.49 2.02 -1.91 -0.82 112.91 124.90 2kdb h THR 43 Ca -0.24 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.60 2kdb h THR 43 Cb 1.07 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 2kdb h THR 43 CO 1.10 0.17 -0.16 0.07 0.37 0.00 0.00 175.52 177.08 2kdb h LYS 44 N 0.92 0.00 0.04 6.66 2.10 -1.98 -2.88 116.57 121.42 2kdb h LYS 44 Ca 0.38 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.73 2kdb h LYS 44 Cb 0.30 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.59 2kdb h LYS 44 CO -0.15 0.16 -1.69 -0.44 -2.00 0.00 0.00 179.45 175.32 2kdb h ASP 45 N 0.00 0.12 -3.81 7.07 5.19 -1.58 -3.47 116.42 119.95 2kdb h ASP 45 Ca -0.00 -0.25 -0.49 0.00 -0.62 0.00 0.00 57.03 55.67 2kdb h ASP 45 Cb 0.29 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.75 2kdb h ASP 45 CO 0.02 1.22 0.39 -1.10 -3.12 0.00 0.00 179.24 176.64 2kdb s GLN 46 N -2.60 4.70 0.14 3.56 -1.52 -0.62 -4.94 119.66 118.38 2kdb s GLN 46 Ca -0.08 1.54 0.08 0.00 -1.95 0.00 0.00 55.36 54.95 2kdb s GLN 46 Cb 0.08 -3.11 -0.04 0.00 -0.22 0.00 0.00 33.01 29.72 2kdb s GLN 46 CO 0.82 0.34 -0.18 1.03 -0.25 0.00 0.00 175.29 177.05 2kdb s ARG 47 N -1.52 1.19 -0.32 2.91 3.00 -0.64 -4.93 118.95 118.64 2kdb s ARG 47 Ca 0.45 -1.31 -0.11 0.00 0.00 0.00 0.00 55.73 54.76 2kdb s ARG 47 Cb -0.26 -1.27 -0.01 0.00 0.00 0.00 0.00 34.95 33.41 2kdb s ARG 47 CO 0.32 0.26 0.18 -0.51 0.00 0.00 0.00 175.30 175.56 2kdb s LEU 48 N -2.44 4.25 -0.12 2.53 1.43 -1.26 -1.93 118.68 121.15 2kdb s LEU 48 Ca 0.12 -0.48 -0.04 0.00 -1.03 0.00 0.00 54.13 52.70 2kdb s LEU 48 Cb -0.07 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 2kdb s LEU 48 CO 0.05 -0.21 0.03 -0.69 0.23 0.00 0.00 176.35 175.77 2kdb s VAL 49 N 1.65 4.57 -0.21 -1.59 1.01 -0.17 -0.86 120.40 124.79 2kdb s VAL 49 Ca 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 2kdb s VAL 49 Cb -0.17 -2.97 0.06 0.00 0.00 0.00 0.00 36.38 33.30 2kdb s VAL 49 CO 0.08 0.57 0.02 -0.47 0.00 0.00 0.00 175.10 175.29 2kdb s TYR 50 N -0.55 1.44 0.00 5.22 5.04 -0.37 -0.38 117.35 127.75 2kdb s TYR 50 Ca 0.10 -1.16 0.00 0.00 -2.44 0.00 0.00 57.07 53.57 2kdb s TYR 50 Cb -0.12 -1.22 0.00 0.00 0.35 0.00 0.00 41.96 40.97 2kdb s TYR 50 CO 0.02 -0.67 0.00 0.43 -1.34 0.00 0.00 175.55 173.99 2kdb n SER 51 N 4.94 -3.31 0.00 4.32 7.64 -1.26 -1.80 113.62 124.15 2kdb n SER 51 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 2kdb n SER 51 Cb 0.46 -2.12 0.00 0.00 -1.01 0.00 0.00 64.21 61.54 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 -0.98 0.88 3.91 0.23 0.00 -1.26 -5.13 105.19 102.84 2kdb n GLY 52 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 2.87 -0.15 1.61 1.70 -0.74 -5.07 118.95 119.16 2kdb s ARG 53 Ca 0.00 0.13 -0.13 0.00 -0.47 0.00 0.00 55.73 55.27 2kdb s ARG 53 Cb 0.00 -2.19 -0.05 0.00 -0.57 0.00 0.00 34.95 32.15 2kdb s ARG 53 CO 0.00 -0.83 0.27 -1.17 -1.08 0.00 0.00 175.30 172.48 2kdb s LEU 54 N -5.12 4.26 -0.52 -1.89 2.96 -1.26 -1.23 118.68 115.88 2kdb s LEU 54 Ca 0.55 0.49 -0.18 0.00 -0.22 0.00 0.00 54.13 54.77 2kdb s LEU 54 Cb -0.11 -2.32 0.07 0.00 0.50 0.00 0.00 46.19 44.33 2kdb s LEU 54 CO 0.47 0.14 0.59 -0.76 -1.32 0.00 0.00 176.35 175.47 2kdb s LEU 55 N 0.26 5.25 0.36 -0.68 1.43 -0.04 -4.94 118.68 120.32 2kdb s LEU 55 Ca 0.16 -1.15 -0.16 0.00 -1.03 0.00 0.00 54.13 51.94 2kdb s LEU 55 Cb -0.13 -2.35 -0.09 0.00 0.03 0.00 0.00 46.19 43.65 2kdb s LEU 55 CO 0.04 -0.89 0.80 -2.16 0.23 0.00 0.00 176.35 174.37 2kdb s PRO 56 N 2.38 4.05 0.11 1.29 0.04 -1.26 -4.29 135.00 137.32 2kdb s PRO 56 Ca 0.11 0.78 0.19 0.00 0.04 0.00 0.00 61.00 62.13 2kdb s PRO 56 Cb -0.22 -2.35 0.79 0.00 0.04 0.00 0.00 34.50 32.76 2kdb s PRO 56 CO 0.09 0.08 1.59 -0.40 0.04 0.00 0.00 177.00 178.41 2kdb n ASP 57 N -0.53 0.29 0.06 6.66 5.75 -1.26 -2.98 116.55 124.54 2kdb n ASP 57 Ca 0.04 0.57 -0.08 0.00 -0.01 0.00 0.00 54.79 55.31 2kdb n ASP 57 Cb 0.53 -0.63 0.07 0.00 -1.03 0.00 0.00 41.12 40.06 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 0.45 -2.06 2.11 2.07 -1.98 -3.30 115.15 112.44 2kdb h HIS 58 Ca 0.00 -0.18 -0.45 0.00 -2.85 0.00 0.00 60.37 56.89 2kdb h HIS 58 Cb 0.32 -0.07 0.01 0.00 2.57 0.00 0.00 27.41 30.24 2kdb h HIS 58 CO 0.00 0.90 -0.28 -0.48 -3.07 0.00 0.00 177.93 175.00 2kdb s LEU 59 N -7.95 3.90 0.21 6.12 0.05 -1.16 -4.96 118.68 114.89 2kdb s LEU 59 Ca -0.05 -0.05 -0.11 0.00 0.05 0.00 0.00 54.13 53.96 2kdb s LEU 59 Cb 0.11 -2.86 -0.07 0.00 -2.05 0.00 0.00 46.19 41.32 2kdb s LEU 59 CO 0.82 -0.49 0.56 -1.10 -0.55 0.00 0.00 176.35 175.60 2kdb s GLN 60 N -4.26 3.87 0.37 1.48 1.11 -1.26 -1.98 119.66 118.99 2kdb s GLN 60 Ca 0.45 0.37 0.06 0.00 0.01 0.00 0.00 55.36 56.25 2kdb s GLN 60 Cb -0.10 -2.72 0.76 0.00 -1.01 0.00 0.00 33.01 29.94 2kdb s GLN 60 CO 0.33 0.36 1.99 -0.07 0.01 0.00 0.00 175.29 177.90 2kdb h LEU 61 N 2.84 0.62 -1.15 2.90 3.38 -1.64 -2.69 115.31 119.58 2kdb h LEU 61 Ca -0.47 -0.00 0.26 0.00 0.09 0.00 0.00 57.88 57.75 2kdb h LEU 61 Cb 1.18 -0.14 -0.11 0.00 0.09 0.00 0.00 40.66 41.67 2kdb h LEU 61 CO 0.68 0.42 0.63 0.07 0.09 0.00 0.00 178.44 180.33 2kdb h LYS 62 N 0.72 0.47 -0.42 1.13 5.09 -1.82 -0.18 116.57 121.56 2kdb h LYS 62 Ca 0.27 -0.03 0.11 0.00 0.09 0.00 0.00 60.65 61.08 2kdb h LYS 62 Cb 0.15 -0.11 -0.02 0.00 0.10 0.00 0.00 32.23 32.35 2kdb h LYS 62 CO -0.08 0.31 0.30 0.22 -2.09 0.00 0.00 179.45 178.11 2kdb h ASP 63 N 0.49 0.07 0.00 7.07 3.58 -1.82 0.19 116.42 126.00 2kdb h ASP 63 Ca 0.64 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.84 2kdb h ASP 63 Cb 1.39 -0.01 -0.05 0.00 1.72 0.00 0.00 39.33 42.38 2kdb h ASP 63 CO -0.42 0.04 -1.92 -0.38 -2.88 0.00 0.00 179.24 173.68 2kdb n ILE 64 N -4.43 0.92 -0.36 2.25 -0.00 -0.80 -4.72 119.36 112.22 2kdb n ILE 64 Ca 0.07 -0.49 0.11 0.00 -0.00 0.00 0.00 62.75 62.44 2kdb n ILE 64 Cb 0.44 -0.81 0.31 0.00 -0.00 0.00 0.00 39.64 39.59 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 -2.66 3.90 0.15 1.39 4.77 -0.14 -4.11 117.00 120.29 2kdb n LEU 65 Ca -0.24 -2.00 0.13 0.00 -0.03 0.00 0.00 56.01 53.86 2kdb n LEU 65 Cb 0.89 -0.47 0.50 0.00 -2.33 0.00 0.00 43.42 42.00 2kdb n LEU 65 CO 0.24 0.97 0.88 0.08 -1.33 0.00 0.00 177.39 178.23 2kdb h ARG 66 N 4.13 0.00 0.36 3.23 0.11 -1.20 -2.04 114.38 118.97 2kdb h ARG 66 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 2kdb h ARG 66 Cb 0.98 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.06 2kdb h ARG 66 CO 0.00 0.00 -0.17 0.87 0.10 0.00 0.00 179.97 180.77 2kdb h LYS 67 N 0.00 -0.47 0.00 0.08 1.57 -1.85 -3.36 116.57 112.54 2kdb h LYS 67 Ca 0.00 0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.63 2kdb h LYS 67 Cb 0.47 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 2kdb h LYS 67 CO 0.00 -0.31 -1.19 1.96 -0.57 0.00 0.00 179.45 179.34 2kdb h GLN 68 N -0.81 0.00 0.00 3.15 1.08 -1.88 -3.48 115.11 113.16 2kdb h GLN 68 Ca -0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2kdb h GLN 68 Cb 0.37 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 2kdb h GLN 68 CO 0.08 0.48 0.00 -3.47 -0.95 0.00 0.00 178.83 174.97 2kdb n ASP 69 N -3.06 0.00 0.00 1.46 -0.08 -0.76 -4.39 116.55 109.71 2kdb n ASP 69 Ca -0.07 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.21 2kdb n ASP 69 Cb 0.87 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.33 2kdb n ASP 69 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 2kdb n GLU 70 N 0.00 0.00 -3.22 -0.67 2.13 -1.26 -4.67 120.64 112.95 2kdb n GLU 70 Ca 0.00 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.43 2kdb n GLU 70 Cb 0.00 -0.63 -0.06 0.00 0.27 0.00 0.00 31.44 31.02 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 -0.39 3.56 -0.26 4.31 1.13 -1.25 -0.96 117.35 123.50 2kdb s TYR 71 Ca 0.00 1.05 -0.02 0.00 -1.41 0.00 0.00 57.07 56.68 2kdb s TYR 71 Cb 0.00 -2.63 0.11 0.00 -1.10 0.00 0.00 41.96 38.34 2kdb s TYR 71 CO 0.00 0.18 0.23 -1.01 -2.51 0.00 0.00 175.55 172.45 2kdb s HIS 72 N 0.51 -0.23 -0.75 -3.49 3.76 -0.55 -4.83 115.29 109.71 2kdb s HIS 72 Ca 0.30 -0.17 -0.26 0.00 -0.15 0.00 0.00 55.06 54.78 2kdb s HIS 72 Cb -0.16 -0.52 0.01 0.00 1.11 0.00 0.00 32.58 33.02 2kdb s HIS 72 CO 0.14 -0.78 1.49 0.00 -0.85 0.00 0.00 174.74 174.74 2kdb s MET 73 N 2.29 3.05 -0.24 1.40 0.23 -1.26 -0.70 119.30 124.08 2kdb s MET 73 Ca 0.08 -0.12 -0.07 0.00 -1.03 0.00 0.00 55.69 54.56 2kdb s MET 73 Cb -0.15 -4.42 -0.02 0.00 -1.53 0.00 0.00 34.83 28.70 2kdb s MET 73 CO -0.26 -2.38 0.04 0.08 -2.03 0.00 0.00 175.02 170.48 2kdb s VAL 74 N 6.78 4.12 -0.31 5.16 1.01 0.08 -4.44 120.40 132.81 2kdb s VAL 74 Ca 0.47 -0.24 -0.27 0.00 0.00 0.00 0.00 61.98 61.94 2kdb s VAL 74 Cb -0.08 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.39 2kdb s VAL 74 CO 0.13 0.36 0.96 -2.28 0.00 0.00 0.00 175.10 174.27 2kdb s HIS 75 N 1.53 3.18 0.58 5.22 2.46 0.49 -1.61 115.29 127.15 2kdb s HIS 75 Ca 0.06 1.06 -0.19 0.00 0.47 0.00 0.00 55.06 56.47 2kdb s HIS 75 Cb -0.15 -3.48 -0.04 0.00 -0.13 0.00 0.00 32.58 28.78 2kdb s HIS 75 CO 0.02 -0.67 1.17 -0.51 -2.47 0.00 0.00 174.74 172.28 2kdb s LEU 76 N 3.36 3.67 0.00 8.88 1.43 0.04 -1.00 118.68 135.06 2kdb s LEU 76 Ca 0.40 2.27 0.00 0.00 -1.03 0.00 0.00 54.13 55.77 2kdb s LEU 76 Cb -0.13 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.50 2kdb s LEU 76 CO 0.14 -1.45 0.00 0.55 0.23 0.00 0.00 176.35 175.82