#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 4.35 -0.81 -1.45 1.01 -0.11 -4.83 120.40 118.57 2kdb s VAL 2 Ca 0.00 1.66 -0.26 0.00 0.00 0.00 0.00 61.98 63.38 2kdb s VAL 2 Cb 0.00 -4.07 0.03 0.00 0.00 0.00 0.00 36.38 32.34 2kdb s VAL 2 CO 0.00 -0.03 1.34 -0.89 0.00 0.00 0.00 175.10 175.53 2kdb s THR 3 N 2.41 3.76 -0.69 3.92 2.01 -0.20 -0.76 115.64 126.08 2kdb s THR 3 Ca 0.54 0.11 -0.19 0.00 0.31 0.00 0.00 61.69 62.46 2kdb s THR 3 Cb -0.23 -4.92 0.11 0.00 0.01 0.00 0.00 72.50 67.47 2kdb s THR 3 CO 0.20 -1.85 0.84 -0.22 -0.69 0.00 0.00 174.62 172.90 2kdb s LEU 4 N 5.68 5.27 -0.88 4.42 2.96 -0.52 -1.84 118.68 133.78 2kdb s LEU 4 Ca 0.39 -1.58 -0.25 0.00 -0.22 0.00 0.00 54.13 52.47 2kdb s LEU 4 Cb -0.06 -2.33 0.04 0.00 0.50 0.00 0.00 46.19 44.33 2kdb s LEU 4 CO 0.09 -1.12 1.38 -0.63 -1.32 0.00 0.00 176.35 174.75 2kdb s ILE 5 N 2.72 3.81 -0.17 6.68 1.01 0.14 -1.37 121.20 134.01 2kdb s ILE 5 Ca 0.18 -0.17 -0.29 0.00 0.00 0.00 0.00 60.65 60.37 2kdb s ILE 5 Cb -0.18 -4.96 -0.00 0.00 0.01 0.00 0.00 42.46 37.33 2kdb s ILE 5 CO 0.03 -1.87 1.00 -0.63 0.00 0.00 0.00 174.94 173.47 2kdb s ILE 6 N 5.50 4.75 -0.16 2.92 -1.09 0.02 -1.32 121.20 131.83 2kdb s ILE 6 Ca 0.41 1.99 0.00 0.00 -2.23 0.00 0.00 60.65 60.83 2kdb s ILE 6 Cb -0.04 -4.29 0.00 0.00 -1.58 0.00 0.00 42.46 36.55 2kdb s ILE 6 CO 0.03 -0.07 -0.16 -0.54 -1.23 0.00 0.00 174.94 172.96 2kdb s LYS 7 N 2.55 3.18 0.42 2.79 1.02 -0.37 -0.84 119.74 128.48 2kdb s LYS 7 Ca 0.45 -0.76 -0.23 0.00 0.02 0.00 0.00 55.97 55.45 2kdb s LYS 7 Cb -0.17 -2.62 -0.09 0.00 -0.52 0.00 0.00 37.83 34.43 2kdb s LYS 7 CO 0.12 -0.02 1.01 0.00 -0.92 0.00 0.00 175.35 175.55 2kdb s ALA 8 N 0.89 3.03 0.21 5.17 0.00 -1.26 -0.94 121.76 128.86 2kdb s ALA 8 Ca -0.04 0.60 0.32 0.00 0.00 0.00 0.00 51.96 52.83 2kdb s ALA 8 Cb -0.15 -3.23 1.38 0.00 0.00 0.00 0.00 23.12 21.11 2kdb s ALA 8 CO -0.02 -0.13 2.00 -1.00 0.00 0.00 0.00 175.76 176.61 2kdb h PRO 9 N 2.19 0.00 0.00 0.00 0.13 -1.90 -2.38 132.00 130.04 2kdb h PRO 9 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 2kdb h PRO 9 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kdb h PRO 9 CO 0.61 0.07 -0.78 -2.95 -0.23 0.00 0.00 178.00 174.72 2kdb h ASN 10 N 0.00 0.00 0.00 1.44 7.08 -1.94 -3.48 115.58 118.68 2kdb h ASN 10 Ca -0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2kdb h ASN 10 Cb 0.49 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.73 2kdb h ASN 10 CO 0.01 0.05 0.00 1.67 -2.08 0.00 0.00 177.43 177.08 2kdb n GLN 11 N -2.81 -0.04 -0.10 4.14 7.27 -0.90 -4.84 117.38 120.11 2kdb n GLN 11 Ca 0.00 0.01 -0.12 0.00 0.07 0.00 0.00 57.00 56.97 2kdb n GLN 11 Cb 0.57 -3.62 -0.04 0.00 2.41 0.00 0.00 30.24 29.56 2kdb n GLN 11 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 2kdb h LYS 12 N 1.32 0.54 -6.35 3.69 3.64 -1.93 -3.40 116.57 114.07 2kdb h LYS 12 Ca 0.00 -0.21 -0.55 0.00 -1.27 0.00 0.00 60.65 58.62 2kdb h LYS 12 Cb 0.02 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 2kdb h LYS 12 CO 0.00 0.75 0.60 0.71 -2.27 0.00 0.00 179.45 179.24 2kdb s TYR 13 N -4.76 3.36 1.25 1.91 1.51 -1.26 -5.04 117.35 114.32 2kdb s TYR 13 Ca -0.13 1.37 -0.20 0.00 -1.01 0.00 0.00 57.07 57.10 2kdb s TYR 13 Cb 0.08 -3.33 0.30 0.00 -0.11 0.00 0.00 41.96 38.90 2kdb s TYR 13 CO 0.77 -0.92 1.06 -1.54 -1.11 0.00 0.00 175.55 173.82 2kdb s SER 14 N 1.26 0.46 -0.98 2.29 1.04 -1.26 -4.10 113.70 112.41 2kdb s SER 14 Ca 0.54 0.75 -0.24 0.00 0.48 0.00 0.00 55.95 57.49 2kdb s SER 14 Cb -0.24 -1.06 -0.02 0.00 0.10 0.00 0.00 66.02 64.80 2kdb s SER 14 CO 0.23 -4.42 1.80 1.51 0.98 0.00 0.00 173.24 173.34 2kdb s ASP 15 N -3.62 5.58 -0.41 7.02 -4.77 -1.26 -4.54 116.67 114.66 2kdb s ASP 15 Ca 0.70 -1.07 -0.28 0.00 -3.30 0.00 0.00 52.55 48.61 2kdb s ASP 15 Cb -0.12 -2.57 -0.02 0.00 -1.09 0.00 0.00 42.92 39.12 2kdb s ASP 15 CO 0.57 -2.37 1.86 -1.10 0.70 0.00 0.00 175.17 174.83 2kdb s GLN 16 N 6.28 3.06 -0.86 2.11 1.11 -0.02 -4.74 119.66 126.60 2kdb s GLN 16 Ca 0.63 1.22 -0.23 0.00 0.01 0.00 0.00 55.36 56.99 2kdb s GLN 16 Cb -0.04 -4.28 0.07 0.00 -1.01 0.00 0.00 33.01 27.75 2kdb s GLN 16 CO -0.02 -2.19 1.24 0.95 0.01 0.00 0.00 175.29 175.28 2kdb s THR 17 N 7.85 4.13 -0.31 -0.19 -4.23 -1.26 -0.80 115.64 120.83 2kdb s THR 17 Ca 0.78 -0.57 -0.15 0.00 -1.18 0.00 0.00 61.69 60.57 2kdb s THR 17 Cb -0.20 -4.89 -0.02 0.00 1.34 0.00 0.00 72.50 68.73 2kdb s THR 17 CO 0.30 -1.73 0.38 -0.63 -0.54 0.00 0.00 174.62 172.40 2kdb s ILE 18 N 4.48 5.15 0.01 2.99 -1.09 -0.47 -4.88 121.20 127.39 2kdb s ILE 18 Ca 0.35 0.32 -0.30 0.00 -2.23 0.00 0.00 60.65 58.79 2kdb s ILE 18 Cb -0.07 -3.78 -0.07 0.00 -1.58 0.00 0.00 42.46 36.97 2kdb s ILE 18 CO 0.00 0.01 1.63 -0.94 -1.23 0.00 0.00 174.94 174.41 2kdb s SER 19 N 1.70 6.66 0.33 3.58 1.04 -1.26 -1.44 113.70 124.31 2kdb s SER 19 Ca 0.14 2.33 0.07 0.00 0.48 0.00 0.00 55.95 58.97 2kdb s SER 19 Cb -0.16 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.38 2kdb s SER 19 CO 0.11 -0.88 0.27 0.00 0.98 0.00 0.00 173.24 173.72 2kdb s PHE 21 N -3.46 0.82 -0.61 0.00 0.08 -1.26 -0.94 117.98 112.62 2kdb s PHE 21 Ca 0.40 -0.33 0.21 0.00 0.12 0.00 0.00 56.93 57.33 2kdb s PHE 21 Cb 0.02 -0.50 0.89 0.00 -0.57 0.00 0.00 43.02 42.86 2kdb s PHE 21 CO 0.27 -0.02 1.65 1.28 -0.10 0.00 0.00 175.22 178.30 2kdb n LEU 22 N 2.04 0.50 0.10 -0.37 4.77 -1.26 -3.67 117.00 119.11 2kdb n LEU 22 Ca -0.18 0.62 -0.13 0.00 -0.03 0.00 0.00 56.01 56.29 2kdb n LEU 22 Cb 0.56 -0.56 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 2kdb n LEU 22 CO 0.23 -0.48 0.64 -1.13 -1.33 0.00 0.00 177.39 175.31 2kdb h ASN 23 N 0.00 -1.00 -4.43 -1.43 -0.73 -1.99 -3.31 115.58 102.69 2kdb h ASN 23 Ca 0.00 0.12 -0.47 0.00 1.87 0.00 0.00 56.30 57.82 2kdb h ASN 23 Cb 0.34 0.39 0.10 0.00 0.27 0.00 0.00 38.32 39.41 2kdb h ASN 23 CO 0.00 -0.42 0.37 0.26 -0.37 0.00 0.00 177.43 177.27 2kdb s TRP 24 N -5.99 2.93 0.70 0.67 0.51 -1.24 -4.88 118.94 111.65 2kdb s TRP 24 Ca -0.16 0.68 -0.05 0.00 -2.12 0.00 0.00 56.10 54.45 2kdb s TRP 24 Cb 0.08 -3.44 0.08 0.00 -0.81 0.00 0.00 33.47 29.38 2kdb s TRP 24 CO 0.64 -1.71 1.00 0.95 -0.51 0.00 0.00 176.95 177.32 2kdb s THR 25 N -3.51 2.30 0.30 2.01 -4.23 -1.26 -2.86 115.64 108.38 2kdb s THR 25 Ca 0.62 -0.36 0.01 0.00 -1.18 0.00 0.00 61.69 60.78 2kdb s THR 25 Cb -0.11 -2.94 0.28 0.00 1.34 0.00 0.00 72.50 71.07 2kdb s THR 25 CO 0.48 0.00 1.88 0.58 -0.54 0.00 0.00 174.62 177.02 2kdb h VAL 26 N -0.56 1.00 -0.29 2.29 2.07 -1.50 -1.95 116.25 117.32 2kdb h VAL 26 Ca -0.43 -0.35 -0.14 0.00 0.82 0.00 0.00 66.70 66.60 2kdb h VAL 26 Cb 1.30 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2kdb h VAL 26 CO 0.55 0.18 -0.38 1.23 0.02 0.00 0.00 177.57 179.17 2kdb h GLY 27 N 1.01 0.83 1.17 2.17 0.00 -1.80 -0.23 103.07 106.22 2kdb h GLY 27 Ca 0.43 -0.91 -0.12 0.00 0.00 0.00 0.00 47.33 46.74 2kdb h GLY 27 CO -0.19 0.82 -0.14 0.50 0.00 0.00 0.00 176.54 177.53 2kdb h LYS 28 N 0.51 0.97 -0.47 4.80 6.56 -1.78 -0.91 116.57 126.25 2kdb h LYS 28 Ca 0.03 -0.37 -0.09 0.00 -1.06 0.00 0.00 60.65 59.17 2kdb h LYS 28 Cb 0.97 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 32.56 2kdb h LYS 28 CO 0.09 1.04 -0.04 1.25 -2.06 0.00 0.00 179.45 179.72 2kdb h LEU 29 N 0.86 0.85 -1.59 2.94 7.12 -1.37 -2.83 115.31 121.28 2kdb h LEU 29 Ca 0.13 -0.33 -0.05 0.00 0.13 0.00 0.00 57.88 57.77 2kdb h LEU 29 Cb 0.69 -0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 40.59 2kdb h LEU 29 CO 0.05 0.98 -0.22 0.50 -0.13 0.00 0.00 178.44 179.62 2kdb h LYS 30 N 0.71 0.00 -0.09 1.25 3.64 -0.71 0.14 116.57 121.51 2kdb h LYS 30 Ca 0.13 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2kdb h LYS 30 Cb 0.56 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2kdb h LYS 30 CO 0.03 0.22 0.03 1.15 -2.27 0.00 0.00 179.45 178.61 2kdb h THR 31 N 0.00 1.14 -0.77 1.00 2.02 -1.03 -1.35 112.91 113.92 2kdb h THR 31 Ca -0.00 -0.43 -0.05 0.00 0.77 0.00 0.00 66.41 66.70 2kdb h THR 31 Cb 0.40 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 2kdb h THR 31 CO 0.03 0.12 0.31 -0.74 0.37 0.00 0.00 175.52 175.61 2kdb h HIS 32 N -0.02 1.18 -0.10 3.16 -0.00 -1.07 -2.18 115.15 116.12 2kdb h HIS 32 Ca 0.03 -0.09 0.01 0.00 -0.00 0.00 0.00 60.37 60.32 2kdb h HIS 32 Cb 0.17 -0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 27.22 2kdb h HIS 32 CO -0.02 0.89 0.04 -0.07 -0.00 0.00 0.00 177.93 178.77 2kdb h LEU 33 N 1.12 0.04 -1.93 0.26 3.38 -0.70 -0.37 115.31 117.11 2kdb h LEU 33 Ca 0.26 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 2kdb h LEU 33 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2kdb h LEU 33 CO -0.02 0.04 -0.12 -1.28 0.09 0.00 0.00 178.44 177.15 2kdb h SER 34 N 0.09 0.00 0.65 -0.43 0.87 -1.03 0.20 113.55 113.90 2kdb h SER 34 Ca 0.04 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.33 2kdb h SER 34 Cb 0.02 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 2kdb h SER 34 CO -0.04 0.12 -1.39 0.78 -0.53 0.00 0.00 176.83 175.76 2kdb h ASN 35 N 0.00 0.15 -0.10 6.23 2.35 -0.84 -3.38 115.58 119.99 2kdb h ASN 35 Ca -0.00 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 2kdb h ASN 35 Cb 0.28 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2kdb h ASN 35 CO 0.02 1.18 0.00 1.33 -1.65 0.00 0.00 177.43 178.30 2kdb n VAL 36 N -3.31 0.14 -2.77 2.81 0.24 -0.20 -4.97 118.33 110.28 2kdb n VAL 36 Ca -0.11 -0.57 -0.38 0.00 -2.04 0.00 0.00 64.34 61.24 2kdb n VAL 36 Cb 1.01 1.25 -0.06 0.00 -1.47 0.00 0.00 33.84 34.57 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 -1.45 3.83 0.38 6.34 5.04 0.65 -4.98 117.35 127.16 2kdb s TYR 37 Ca 0.24 1.84 0.05 0.00 -2.44 0.00 0.00 57.07 56.76 2kdb s TYR 37 Cb 0.16 -2.95 0.73 0.00 0.35 0.00 0.00 41.96 40.26 2kdb s TYR 37 CO 0.23 0.33 2.01 -1.00 -1.34 0.00 0.00 175.55 175.78 2kdb h PRO 38 N 3.63 0.65 0.10 4.97 0.13 -1.93 -2.72 132.00 136.83 2kdb h PRO 38 Ca -0.46 -0.05 -0.27 0.00 -0.87 0.00 0.00 66.00 64.35 2kdb h PRO 38 Cb 1.20 -0.14 0.01 0.00 0.13 0.00 0.00 31.00 32.20 2kdb h PRO 38 CO 0.66 0.46 -1.16 1.03 -0.23 0.00 0.00 178.00 178.77 2kdb h SER 39 N 0.67 0.56 -5.63 1.44 0.87 -1.95 -3.50 113.55 106.01 2kdb h SER 39 Ca 0.18 -0.53 -0.11 0.00 -1.23 0.00 0.00 61.79 60.09 2kdb h SER 39 Cb -0.02 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 61.77 2kdb h SER 39 CO -0.03 1.38 -0.67 0.29 -0.53 0.00 0.00 176.83 177.26 2kdb n LYS 40 N -3.66 -2.22 -0.01 2.24 5.02 -1.03 -5.06 118.16 113.46 2kdb n LYS 40 Ca -0.09 1.90 0.00 0.00 -2.02 0.00 0.00 58.31 58.10 2kdb n LYS 40 Cb 0.96 -4.71 0.00 0.00 -0.02 0.00 0.00 35.03 31.26 2kdb n LYS 40 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2kdb n PRO 41 N -0.37 0.67 -3.86 1.97 -0.04 -1.26 -5.05 135.00 127.07 2kdb n PRO 41 Ca 0.06 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.16 2kdb n PRO 41 Cb 0.52 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.85 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 3.76 0.47 1.53 1.43 -1.26 -4.93 118.68 119.67 2kdb s LEU 42 Ca 0.00 -0.99 0.25 0.00 -1.03 0.00 0.00 54.13 52.36 2kdb s LEU 42 Cb 0.00 -1.77 1.29 0.00 0.03 0.00 0.00 46.19 45.73 2kdb s LEU 42 CO 0.00 -0.22 1.84 0.71 0.23 0.00 0.00 176.35 178.91 2kdb h THR 43 N 6.16 0.56 -0.55 5.49 1.35 -1.90 -0.56 112.91 123.46 2kdb h THR 43 Ca -0.27 -0.07 -0.03 0.00 -0.55 0.00 0.00 66.41 65.48 2kdb h THR 43 Cb 1.10 0.33 -0.03 0.00 -1.73 0.00 0.00 68.15 67.82 2kdb h THR 43 CO 0.58 0.04 0.21 0.07 -0.25 0.00 0.00 175.52 176.17 2kdb h LYS 44 N 0.21 0.80 0.00 4.72 2.10 -2.00 -3.03 116.57 119.38 2kdb h LYS 44 Ca 0.50 -0.12 -0.28 0.00 -2.00 0.00 0.00 60.65 58.74 2kdb h LYS 44 Cb 1.58 -0.14 -0.05 0.00 -0.90 0.00 0.00 32.23 32.71 2kdb h LYS 44 CO -0.13 0.66 -1.81 -0.25 -2.00 0.00 0.00 179.45 175.93 2kdb n ASP 45 N -4.33 0.67 -4.70 7.07 8.00 -0.33 -4.91 116.55 118.02 2kdb n ASP 45 Ca 0.04 0.32 -0.42 0.00 0.71 0.00 0.00 54.79 55.44 2kdb n ASP 45 Cb 0.17 0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 41.47 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 -2.65 4.36 0.01 -1.24 -1.52 -0.54 -4.91 119.66 113.18 2kdb s GLN 46 Ca -0.06 1.79 0.03 0.00 -1.95 0.00 0.00 55.36 55.18 2kdb s GLN 46 Cb 0.08 -3.48 -0.01 0.00 -0.22 0.00 0.00 33.01 29.37 2kdb s GLN 46 CO 0.83 -0.42 -0.09 1.03 -0.25 0.00 0.00 175.29 176.38 2kdb s ARG 47 N 1.87 0.70 -0.42 2.91 0.52 -1.26 -4.88 118.95 118.39 2kdb s ARG 47 Ca 0.59 -0.48 -0.16 0.00 -0.52 0.00 0.00 55.73 55.16 2kdb s ARG 47 Cb -0.28 -0.65 0.03 0.00 0.52 0.00 0.00 34.95 34.56 2kdb s ARG 47 CO 0.26 0.17 0.38 -0.51 0.02 0.00 0.00 175.30 175.61 2kdb s LEU 48 N -0.64 5.04 -0.36 2.53 2.01 -1.26 -1.08 118.68 124.91 2kdb s LEU 48 Ca 0.01 -0.83 -0.08 0.00 0.01 0.00 0.00 54.13 53.23 2kdb s LEU 48 Cb -0.05 -2.27 0.04 0.00 0.01 0.00 0.00 46.19 43.91 2kdb s LEU 48 CO 0.00 -0.54 0.16 -0.69 1.01 0.00 0.00 176.35 176.29 2kdb s VAL 49 N 1.92 4.09 -0.53 -1.59 1.01 -0.36 -0.70 120.40 124.23 2kdb s VAL 49 Ca 0.08 -1.09 -0.12 0.00 0.00 0.00 0.00 61.98 60.85 2kdb s VAL 49 Cb -0.19 -3.33 0.13 0.00 0.00 0.00 0.00 36.38 32.99 2kdb s VAL 49 CO 0.11 -0.25 0.44 -0.47 0.00 0.00 0.00 175.10 174.94 2kdb s TYR 50 N 1.45 3.39 -2.04 5.22 5.04 -0.06 -0.95 117.35 129.40 2kdb s TYR 50 Ca 0.00 -1.71 0.00 0.00 -2.44 0.00 0.00 57.07 52.93 2kdb s TYR 50 Cb -0.20 -3.63 0.00 0.00 0.35 0.00 0.00 41.96 38.48 2kdb s TYR 50 CO 0.04 -1.00 0.00 0.45 -1.34 0.00 0.00 175.55 173.70 2kdb n SER 51 N 4.90 -5.53 0.00 4.32 2.88 -1.26 -2.18 113.62 116.74 2kdb n SER 51 Ca -0.08 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 2kdb n SER 51 Cb 0.41 -4.74 0.00 0.00 -0.75 0.00 0.00 64.21 59.12 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 -0.62 3.04 3.85 0.46 0.00 -1.26 -5.12 105.19 105.54 2kdb n GLY 52 Ca -0.21 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 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 3.91 -0.20 1.61 1.70 -0.93 -5.01 118.95 120.02 2kdb s ARG 53 Ca 0.00 0.87 -0.11 0.00 -0.47 0.00 0.00 55.73 56.02 2kdb s ARG 53 Cb 0.00 -2.17 -0.05 0.00 -0.57 0.00 0.00 34.95 32.16 2kdb s ARG 53 CO 0.00 -0.24 0.16 -1.17 -1.08 0.00 0.00 175.30 172.97 2kdb s LEU 54 N -4.08 4.19 -0.53 -1.89 1.98 -1.26 -0.88 118.68 116.21 2kdb s LEU 54 Ca 0.58 0.24 -0.17 0.00 -2.89 0.00 0.00 54.13 51.89 2kdb s LEU 54 Cb -0.10 -2.13 0.11 0.00 0.66 0.00 0.00 46.19 44.72 2kdb s LEU 54 CO 0.32 0.14 0.52 -0.76 -1.89 0.00 0.00 176.35 174.68 2kdb s LEU 55 N 0.55 5.86 0.53 -0.68 1.43 0.13 -4.99 118.68 121.51 2kdb s LEU 55 Ca 0.09 -1.58 -0.19 0.00 -1.03 0.00 0.00 54.13 51.42 2kdb s LEU 55 Cb -0.12 -2.23 -0.06 0.00 0.03 0.00 0.00 46.19 43.81 2kdb s LEU 55 CO 0.00 -0.86 1.09 -2.16 0.23 0.00 0.00 176.35 174.66 2kdb s PRO 56 N 1.85 3.49 0.59 1.29 0.04 -1.26 -4.30 135.00 136.69 2kdb s PRO 56 Ca 0.05 1.48 0.37 0.00 0.04 0.00 0.00 61.00 62.93 2kdb s PRO 56 Cb -0.27 -2.04 1.80 0.00 0.04 0.00 0.00 34.50 34.03 2kdb s PRO 56 CO 0.05 -0.71 2.15 0.38 0.04 0.00 0.00 177.00 178.91 2kdb h ASP 57 N 1.22 0.00 1.43 6.66 2.03 -1.98 -3.15 116.42 122.63 2kdb h ASP 57 Ca -0.49 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 55.73 2kdb h ASP 57 Cb 1.24 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.73 2kdb h ASP 57 CO 0.58 0.03 -0.36 1.12 -1.03 0.00 0.00 179.24 179.58 2kdb h HIS 58 N 0.00 0.00 -2.68 4.15 2.07 -1.97 -2.93 115.15 113.78 2kdb h HIS 58 Ca -0.00 0.00 -0.57 0.00 -2.85 0.00 0.00 60.37 56.95 2kdb h HIS 58 Cb 0.28 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.22 2kdb h HIS 58 CO 0.00 0.36 -0.50 -0.48 -3.07 0.00 0.00 177.93 174.24 2kdb s LEU 59 N -6.51 4.22 0.59 6.12 0.05 -1.19 -4.94 118.68 117.03 2kdb s LEU 59 Ca 0.04 0.13 -0.17 0.00 0.05 0.00 0.00 54.13 54.18 2kdb s LEU 59 Cb 0.08 -2.81 -0.03 0.00 -2.05 0.00 0.00 46.19 41.37 2kdb s LEU 59 CO 0.71 0.08 1.08 -1.10 -0.55 0.00 0.00 176.35 176.58 2kdb s GLN 60 N -3.03 3.21 0.41 1.48 1.11 -1.26 -2.16 119.66 119.42 2kdb s GLN 60 Ca 0.34 1.35 0.08 0.00 0.01 0.00 0.00 55.36 57.14 2kdb s GLN 60 Cb -0.11 -2.01 0.85 0.00 -1.01 0.00 0.00 33.01 30.73 2kdb s GLN 60 CO 0.27 -0.91 2.01 -0.07 0.01 0.00 0.00 175.29 176.60 2kdb h LEU 61 N 0.57 0.37 -1.63 2.90 3.38 -1.61 -2.47 115.31 116.82 2kdb h LEU 61 Ca -0.48 -0.03 0.17 0.00 0.09 0.00 0.00 57.88 57.64 2kdb h LEU 61 Cb 1.24 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.84 2kdb h LEU 61 CO 0.56 0.34 0.53 0.07 0.09 0.00 0.00 178.44 180.04 2kdb h LYS 62 N 0.42 0.33 -0.97 1.13 5.09 -1.86 -0.39 116.57 120.32 2kdb h LYS 62 Ca 0.11 -0.02 0.25 0.00 0.09 0.00 0.00 60.65 61.07 2kdb h LYS 62 Cb 0.09 -0.07 -0.07 0.00 0.10 0.00 0.00 32.23 32.27 2kdb h LYS 62 CO -0.01 0.22 0.65 0.22 -2.09 0.00 0.00 179.45 178.44 2kdb h ASP 63 N 0.34 0.33 0.00 7.07 3.58 -1.79 -0.55 116.42 125.39 2kdb h ASP 63 Ca 0.39 0.05 -0.13 0.00 0.42 0.00 0.00 57.03 57.76 2kdb h ASP 63 Cb 1.02 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 42.04 2kdb h ASP 63 CO -0.12 0.10 -1.48 -0.38 -2.88 0.00 0.00 179.24 174.49 2kdb n ILE 64 N -4.48 0.47 0.24 2.25 -0.00 -0.95 -4.80 119.36 112.08 2kdb n ILE 64 Ca 0.22 -0.29 0.06 0.00 -0.00 0.00 0.00 62.75 62.73 2kdb n ILE 64 Cb 0.85 -0.80 0.09 0.00 -0.00 0.00 0.00 39.64 39.78 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 -2.25 2.38 0.07 1.39 4.77 -0.20 -4.46 117.00 118.71 2kdb n LEU 65 Ca -0.11 -1.38 -0.01 0.00 -0.03 0.00 0.00 56.01 54.48 2kdb n LEU 65 Cb 0.72 -0.09 0.27 0.00 -2.33 0.00 0.00 43.42 41.99 2kdb n LEU 65 CO 0.15 0.52 0.76 -0.09 -1.33 0.00 0.00 177.39 177.39 2kdb h ARG 66 N 2.29 0.32 -0.63 3.23 2.43 -1.31 -1.45 114.38 119.27 2kdb h ARG 66 Ca 0.00 -0.11 0.09 0.00 -0.81 0.00 0.00 59.98 59.15 2kdb h ARG 66 Cb 0.60 -0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 30.01 2kdb h ARG 66 CO 0.00 0.56 -0.44 0.87 -1.51 0.00 0.00 179.97 179.46 2kdb h LYS 67 N 0.29 -0.19 0.00 0.20 1.57 -1.82 -3.31 116.57 113.31 2kdb h LYS 67 Ca 0.04 0.01 -0.32 0.00 -1.87 0.00 0.00 60.65 58.51 2kdb h LYS 67 Cb 0.62 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.92 2kdb h LYS 67 CO 0.04 -0.13 -2.15 1.04 -0.57 0.00 0.00 179.45 177.69 2kdb n GLN 68 N -5.40 0.47 0.00 3.15 6.02 -1.24 -5.02 117.38 115.36 2kdb n GLN 68 Ca 0.02 0.15 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 2kdb n GLN 68 Cb 0.35 -1.32 0.00 0.00 1.02 0.00 0.00 30.24 30.29 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 -3.51 0.00 0.03 1.08 2.03 -0.55 -4.72 116.55 110.92 2kdb n ASP 69 Ca -0.38 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 54.85 2kdb n ASP 69 Cb 0.83 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 41.18 2kdb n ASP 69 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2kdb h GLU 70 N 0.00 -0.33 -5.74 -0.67 5.08 -1.89 -3.40 114.58 107.62 2kdb h GLU 70 Ca 0.00 0.02 -0.55 0.00 -1.00 0.00 0.00 59.36 57.83 2kdb h GLU 70 Cb 0.00 0.08 -0.29 0.00 0.50 0.00 0.00 28.75 29.04 2kdb h GLU 70 CO 0.00 -0.22 -0.84 0.71 -1.00 0.00 0.00 179.01 177.66 2kdb s TYR 71 N -4.38 1.62 -0.19 4.33 1.51 -1.26 -1.04 117.35 117.94 2kdb s TYR 71 Ca -0.08 -0.31 -0.18 0.00 -1.01 0.00 0.00 57.07 55.49 2kdb s TYR 71 Cb 0.03 -1.03 0.05 0.00 -0.11 0.00 0.00 41.96 40.90 2kdb s TYR 71 CO 0.31 -0.01 0.51 -1.01 -1.11 0.00 0.00 175.55 174.24 2kdb s HIS 72 N -0.48 -0.57 -0.15 2.71 3.76 -0.76 -4.97 115.29 114.83 2kdb s HIS 72 Ca 0.07 1.38 0.00 0.00 -0.15 0.00 0.00 55.06 56.36 2kdb s HIS 72 Cb -0.07 0.20 -0.01 0.00 1.11 0.00 0.00 32.58 33.81 2kdb s HIS 72 CO -0.00 -0.28 -0.14 0.00 -0.85 0.00 0.00 174.74 173.47 2kdb s MET 73 N 0.31 3.27 -0.03 1.40 0.23 -1.26 -0.69 119.30 122.53 2kdb s MET 73 Ca -0.00 -0.73 0.03 0.00 -1.03 0.00 0.00 55.69 53.96 2kdb s MET 73 Cb -0.04 -2.63 0.00 0.00 -1.53 0.00 0.00 34.83 30.63 2kdb s MET 73 CO 0.00 0.07 -0.11 0.08 -2.03 0.00 0.00 175.02 173.04 2kdb s VAL 74 N 0.69 0.90 -0.50 5.16 1.01 -0.43 -4.61 120.40 122.62 2kdb s VAL 74 Ca -0.07 -0.43 -0.27 0.00 0.00 0.00 0.00 61.98 61.21 2kdb s VAL 74 Cb -0.16 -0.79 0.03 0.00 0.00 0.00 0.00 36.38 35.47 2kdb s VAL 74 CO 0.02 0.27 1.03 -1.00 0.00 0.00 0.00 175.10 175.43 2kdb s HIS 75 N 0.11 2.82 -0.91 5.22 3.76 -0.12 -1.24 115.29 124.92 2kdb s HIS 75 Ca -0.02 0.43 -0.23 0.00 -0.15 0.00 0.00 55.06 55.08 2kdb s HIS 75 Cb -0.08 -4.22 0.06 0.00 1.11 0.00 0.00 32.58 29.45 2kdb s HIS 75 CO 0.01 -1.27 1.33 -1.17 -0.85 0.00 0.00 174.74 172.79 2kdb s LEU 76 N 4.19 3.70 0.00 0.89 2.96 -0.12 -1.22 118.68 129.08 2kdb s LEU 76 Ca 0.40 -1.26 0.30 0.00 -0.22 0.00 0.00 54.13 53.36 2kdb s LEU 76 Cb -0.09 -2.53 1.57 0.00 0.50 0.00 0.00 46.19 45.64 2kdb s LEU 76 CO 0.27 -1.52 2.04 0.55 -1.32 0.00 0.00 176.35 176.37