#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 -0.41 0.52 1.01 -0.32 -4.72 120.40 121.54 2kdb s VAL 2 Ca 0.00 0.08 -0.26 0.00 0.00 0.00 0.00 61.98 61.81 2kdb s VAL 2 Cb 0.00 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 33.01 2kdb s VAL 2 CO 0.00 0.29 0.92 -0.89 0.00 0.00 0.00 175.10 175.42 2kdb s THR 3 N 1.60 4.54 -0.45 3.92 2.01 0.01 -0.40 115.64 126.87 2kdb s THR 3 Ca 0.07 1.00 -0.12 0.00 0.31 0.00 0.00 61.69 62.95 2kdb s THR 3 Cb -0.15 -4.37 0.08 0.00 0.01 0.00 0.00 72.50 68.07 2kdb s THR 3 CO 0.08 -0.66 0.33 -0.22 -0.69 0.00 0.00 174.62 173.47 2kdb s LEU 4 N 3.59 5.45 -0.74 4.42 2.96 -0.26 -1.40 118.68 132.70 2kdb s LEU 4 Ca 0.38 -1.50 -0.24 0.00 -0.22 0.00 0.00 54.13 52.55 2kdb s LEU 4 Cb -0.11 -2.08 0.06 0.00 0.50 0.00 0.00 46.19 44.56 2kdb s LEU 4 CO 0.22 -0.62 1.12 -0.63 -1.32 0.00 0.00 176.35 175.12 2kdb s ILE 5 N 1.51 4.12 -0.52 6.68 1.01 -0.11 -1.41 121.20 132.48 2kdb s ILE 5 Ca 0.04 -0.23 -0.28 0.00 0.00 0.00 0.00 60.65 60.18 2kdb s ILE 5 Cb -0.24 -4.80 0.02 0.00 0.01 0.00 0.00 42.46 37.45 2kdb s ILE 5 CO 0.04 -1.64 1.27 -0.63 0.00 0.00 0.00 174.94 173.98 2kdb s ILE 6 N 4.60 3.99 0.51 2.92 -1.09 -0.17 -1.30 121.20 130.65 2kdb s ILE 6 Ca 0.29 0.94 0.06 0.00 -2.23 0.00 0.00 60.65 59.71 2kdb s ILE 6 Cb -0.12 -4.54 0.04 0.00 -1.58 0.00 0.00 42.46 36.26 2kdb s ILE 6 CO 0.09 -1.12 0.70 -0.54 -1.23 0.00 0.00 174.94 172.84 2kdb s LYS 7 N 4.95 2.56 -0.05 2.79 -0.14 -0.26 -1.94 119.74 127.65 2kdb s LYS 7 Ca 0.50 -1.21 -0.07 0.00 -1.36 0.00 0.00 55.97 53.83 2kdb s LYS 7 Cb -0.09 -2.64 0.01 0.00 -1.68 0.00 0.00 37.83 33.43 2kdb s LYS 7 CO 0.28 -0.59 0.18 0.00 -0.76 0.00 0.00 175.35 174.46 2kdb s ALA 8 N -2.58 -0.45 0.34 5.17 0.00 -1.26 -1.43 121.76 121.56 2kdb s ALA 8 Ca 0.58 0.35 0.05 0.00 0.00 0.00 0.00 51.96 52.94 2kdb s ALA 8 Cb -0.09 -0.18 0.63 0.00 0.00 0.00 0.00 23.12 23.47 2kdb s ALA 8 CO 0.36 -0.13 1.89 -1.35 0.00 0.00 0.00 175.76 176.54 2kdb h PRO 9 N 5.35 0.52 -0.80 0.00 0.11 -1.93 -2.91 132.00 132.35 2kdb h PRO 9 Ca -0.27 -0.10 -0.05 0.00 0.11 0.00 0.00 66.00 65.68 2kdb h PRO 9 Cb 1.20 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 2kdb h PRO 9 CO 0.39 0.53 0.07 0.09 -0.21 0.00 0.00 178.00 178.87 2kdb n ASN 10 N -4.29 3.73 -4.41 -2.05 4.13 -1.26 -4.98 115.26 106.11 2kdb n ASN 10 Ca 0.02 -2.61 -0.20 0.00 1.68 0.00 0.00 54.58 53.47 2kdb n ASN 10 Cb 0.23 -0.63 -0.20 0.00 -1.54 0.00 0.00 39.78 37.64 2kdb n ASN 10 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 2kdb n GLN 11 N 0.22 0.00 -0.01 3.52 7.27 -1.10 -4.68 117.38 122.60 2kdb n GLN 11 Ca 0.20 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 57.16 2kdb n GLN 11 Cb 0.87 -0.99 -0.14 0.00 2.41 0.00 0.00 30.24 32.39 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 10.71 0.05 -5.36 3.69 1.57 -1.94 -3.47 116.57 121.82 2kdb h LYS 12 Ca 0.04 -0.09 -0.61 0.00 -1.87 0.00 0.00 60.65 58.11 2kdb h LYS 12 Cb 1.11 0.03 -0.12 0.00 0.08 0.00 0.00 32.23 33.33 2kdb h LYS 12 CO 1.55 0.65 -0.14 0.71 -0.57 0.00 0.00 179.45 181.66 2kdb s TYR 13 N -2.60 3.32 1.26 -1.35 1.51 -1.26 -5.09 117.35 113.15 2kdb s TYR 13 Ca -0.08 0.60 -0.19 0.00 -1.01 0.00 0.00 57.07 56.39 2kdb s TYR 13 Cb 0.08 -2.60 0.31 0.00 -0.11 0.00 0.00 41.96 39.63 2kdb s TYR 13 CO 0.82 -0.14 1.04 -1.12 -1.11 0.00 0.00 175.55 175.04 2kdb s SER 14 N 1.31 0.37 -0.85 2.29 0.01 -1.26 -4.60 113.70 110.97 2kdb s SER 14 Ca 0.19 0.81 -0.23 0.00 1.31 0.00 0.00 55.95 58.04 2kdb s SER 14 Cb -0.15 -1.17 -0.18 0.00 0.21 0.00 0.00 66.02 64.73 2kdb s SER 14 CO 0.09 -4.48 2.23 -0.90 0.41 0.00 0.00 173.24 170.59 2kdb n ASP 15 N -5.03 1.08 -4.58 2.44 5.75 -1.26 -4.77 116.55 110.18 2kdb n ASP 15 Ca 0.11 -1.64 -0.42 0.00 -0.01 0.00 0.00 54.79 52.83 2kdb n ASP 15 Cb 0.59 -1.49 -0.03 0.00 -1.03 0.00 0.00 41.12 39.16 2kdb n ASP 15 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 2kdb s GLN 16 N 8.39 3.52 -0.87 0.11 2.00 -0.82 -4.77 119.66 127.21 2kdb s GLN 16 Ca 0.90 0.23 -0.24 0.00 -2.00 0.00 0.00 55.36 54.24 2kdb s GLN 16 Cb -0.19 -4.01 0.05 0.00 0.80 0.00 0.00 33.01 29.66 2kdb s GLN 16 CO 0.16 -1.63 1.32 0.95 -0.50 0.00 0.00 175.29 175.60 2kdb s THR 17 N 4.80 3.93 -0.05 -0.34 -4.23 -1.26 -1.00 115.64 117.48 2kdb s THR 17 Ca 0.42 -0.32 -0.22 0.00 -1.18 0.00 0.00 61.69 60.40 2kdb s THR 17 Cb -0.08 -4.96 -0.04 0.00 1.34 0.00 0.00 72.50 68.76 2kdb s THR 17 CO 0.25 -1.84 0.63 -0.63 -0.54 0.00 0.00 174.62 172.49 2kdb s ILE 18 N 5.06 5.02 0.08 2.99 -1.09 -0.50 -4.89 121.20 127.86 2kdb s ILE 18 Ca 0.39 1.30 -0.31 0.00 -2.23 0.00 0.00 60.65 59.80 2kdb s ILE 18 Cb -0.05 -3.97 -0.06 0.00 -1.58 0.00 0.00 42.46 36.80 2kdb s ILE 18 CO 0.02 0.32 1.21 -0.94 -1.23 0.00 0.00 174.94 174.32 2kdb s SER 19 N 0.42 7.06 0.23 3.58 1.04 -1.26 -1.10 113.70 123.67 2kdb s SER 19 Ca 0.33 2.06 -0.01 0.00 0.48 0.00 0.00 55.95 58.82 2kdb s SER 19 Cb -0.17 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.33 2kdb s SER 19 CO 0.17 -0.47 0.20 0.00 0.98 0.00 0.00 173.24 174.11 2kdb s PHE 21 N -3.99 0.46 -0.60 0.00 0.08 -1.26 -1.18 117.98 111.50 2kdb s PHE 21 Ca 0.37 -0.08 0.15 0.00 0.12 0.00 0.00 56.93 57.49 2kdb s PHE 21 Cb 0.05 -0.37 0.72 0.00 -0.57 0.00 0.00 43.02 42.86 2kdb s PHE 21 CO 0.15 -0.06 1.46 1.28 -0.10 0.00 0.00 175.22 177.94 2kdb n LEU 22 N 3.38 0.34 -0.27 -0.37 4.77 -1.26 -2.65 117.00 120.94 2kdb n LEU 22 Ca -0.18 0.63 0.04 0.00 -0.03 0.00 0.00 56.01 56.47 2kdb n LEU 22 Cb 0.55 -0.64 0.18 0.00 -2.33 0.00 0.00 43.42 41.18 2kdb n LEU 22 CO 0.25 -0.64 1.09 0.78 -1.33 0.00 0.00 177.39 177.53 2kdb h ASN 23 N 0.00 0.51 -3.86 -1.43 4.21 -2.00 -3.35 115.58 109.67 2kdb h ASN 23 Ca 0.00 0.07 -0.46 0.00 1.21 0.00 0.00 56.30 57.13 2kdb h ASN 23 Cb 0.11 -0.01 0.09 0.00 -1.12 0.00 0.00 38.32 37.39 2kdb h ASN 23 CO 0.00 0.26 0.27 0.26 -1.29 0.00 0.00 177.43 176.93 2kdb s TRP 24 N -6.02 2.78 0.73 1.19 0.51 -1.08 -4.93 118.94 112.12 2kdb s TRP 24 Ca -0.12 0.45 -0.05 0.00 -2.12 0.00 0.00 56.10 54.26 2kdb s TRP 24 Cb 0.20 -3.30 0.10 0.00 -0.81 0.00 0.00 33.47 29.66 2kdb s TRP 24 CO 0.77 -1.57 1.03 0.95 -0.51 0.00 0.00 176.95 177.62 2kdb s THR 25 N -3.34 2.24 0.41 2.01 -4.23 -1.26 -2.28 115.64 109.18 2kdb s THR 25 Ca 0.62 -0.38 0.20 0.00 -1.18 0.00 0.00 61.69 60.94 2kdb s THR 25 Cb -0.10 -2.86 0.21 0.00 1.34 0.00 0.00 72.50 71.10 2kdb s THR 25 CO 0.46 0.00 1.99 0.58 -0.54 0.00 0.00 174.62 177.11 2kdb h VAL 26 N -0.66 0.91 0.02 2.29 2.07 -1.70 -2.15 116.25 117.02 2kdb h VAL 26 Ca -0.42 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.37 2kdb h VAL 26 Cb 1.28 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 2kdb h VAL 26 CO 0.49 0.19 -0.01 1.23 0.02 0.00 0.00 177.57 179.49 2kdb h GLY 27 N 0.83 -0.03 1.12 2.17 0.00 -1.83 -0.07 103.07 105.25 2kdb h GLY 27 Ca -0.00 0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 2kdb h GLY 27 CO 0.03 -0.01 0.07 0.50 0.00 0.00 0.00 176.54 177.12 2kdb h LYS 28 N -0.33 1.07 -0.39 4.80 6.56 -1.87 -2.35 116.57 124.07 2kdb h LYS 28 Ca -0.00 -0.30 -0.16 0.00 -1.06 0.00 0.00 60.65 59.13 2kdb h LYS 28 Cb 0.31 -0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 31.85 2kdb h LYS 28 CO 0.00 1.00 -0.37 1.25 -2.06 0.00 0.00 179.45 179.28 2kdb h LEU 29 N 1.00 0.98 -0.99 2.94 7.12 -1.41 -1.07 115.31 123.88 2kdb h LEU 29 Ca 0.19 -0.44 -0.07 0.00 0.13 0.00 0.00 57.88 57.69 2kdb h LEU 29 Cb 0.48 -0.27 -0.02 0.00 -0.53 0.00 0.00 40.66 40.31 2kdb h LEU 29 CO 0.02 1.23 -0.01 0.50 -0.13 0.00 0.00 178.44 180.05 2kdb h LYS 30 N 0.76 0.72 -0.32 1.25 3.64 -0.87 0.14 116.57 121.89 2kdb h LYS 30 Ca 0.06 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 2kdb h LYS 30 Cb 0.96 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 2kdb h LYS 30 CO 0.09 0.74 0.10 1.15 -2.27 0.00 0.00 179.45 179.26 2kdb h THR 31 N 0.68 1.20 -0.90 1.00 2.02 -1.37 -2.06 112.91 113.49 2kdb h THR 31 Ca 0.13 -0.66 0.06 0.00 0.77 0.00 0.00 66.41 66.72 2kdb h THR 31 Cb 0.43 1.04 -0.06 0.00 -1.74 0.00 0.00 68.15 67.82 2kdb h THR 31 CO 0.02 0.22 0.58 -0.74 0.37 0.00 0.00 175.52 175.98 2kdb h HIS 32 N 0.36 1.04 0.17 3.16 -0.00 -0.38 -1.73 115.15 117.76 2kdb h HIS 32 Ca 0.10 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.49 2kdb h HIS 32 Cb 0.25 -0.34 0.00 0.00 -0.00 0.00 0.00 27.41 27.32 2kdb h HIS 32 CO 0.01 0.55 -0.08 -0.07 -0.00 0.00 0.00 177.93 178.33 2kdb h LEU 33 N 1.02 -0.19 -1.78 0.26 3.38 -0.65 -2.26 115.31 115.09 2kdb h LEU 33 Ca 0.38 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2kdb h LEU 33 Cb 0.18 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2kdb h LEU 33 CO -0.14 0.20 -0.15 0.77 0.09 0.00 0.00 178.44 179.21 2kdb h SER 34 N -0.61 0.00 0.01 -0.43 4.64 -1.12 -0.42 113.55 115.62 2kdb h SER 34 Ca -0.02 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 2kdb h SER 34 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2kdb h SER 34 CO 0.04 0.15 -0.12 0.78 -0.87 0.00 0.00 176.83 176.81 2kdb h ASN 35 N 0.00 0.08 1.16 4.97 2.35 -1.35 -3.36 115.58 119.43 2kdb h ASN 35 Ca -0.00 -0.89 -0.03 0.00 -0.55 0.00 0.00 56.30 54.83 2kdb h ASN 35 Cb 0.28 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 2kdb h ASN 35 CO 0.02 0.97 -0.15 -0.37 -1.65 0.00 0.00 177.43 176.25 2kdb h VAL 36 N -0.79 0.33 -3.12 2.81 -1.51 -1.04 -3.44 116.25 109.49 2kdb h VAL 36 Ca -0.02 -1.01 -0.55 0.00 -1.23 0.00 0.00 66.70 63.89 2kdb h VAL 36 Cb 0.99 1.78 -0.02 0.00 -2.13 0.00 0.00 31.29 31.91 2kdb h VAL 36 CO 0.02 0.14 0.66 -0.47 -1.23 0.00 0.00 177.57 176.70 2kdb s TYR 37 N -3.53 3.26 -0.24 5.19 6.14 -0.20 -4.94 117.35 123.03 2kdb s TYR 37 Ca 0.02 1.26 0.27 0.00 0.64 0.00 0.00 57.07 59.27 2kdb s TYR 37 Cb 0.09 -3.40 1.17 0.00 0.42 0.00 0.00 41.96 40.24 2kdb s TYR 37 CO 0.62 -1.20 1.82 -1.00 0.64 0.00 0.00 175.55 176.43 2kdb h PRO 38 N 7.32 0.00 0.00 4.97 0.13 -1.90 -1.81 132.00 140.71 2kdb h PRO 38 Ca -0.35 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.60 2kdb h PRO 38 Cb 1.17 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 2kdb h PRO 38 CO 0.86 0.00 -0.90 1.03 -0.23 0.00 0.00 178.00 178.77 2kdb h SER 39 N 0.00 0.00 -5.69 1.44 0.87 -1.92 -3.50 113.55 104.76 2kdb h SER 39 Ca 0.00 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 2kdb h SER 39 Cb 0.37 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.33 2kdb h SER 39 CO 0.00 0.78 -0.80 0.29 -0.53 0.00 0.00 176.83 176.57 2kdb n LYS 40 N -3.24 -2.27 -2.39 2.24 5.02 -0.68 -4.99 118.16 111.84 2kdb n LYS 40 Ca -0.01 1.93 -0.37 0.00 -2.02 0.00 0.00 58.31 57.84 2kdb n LYS 40 Cb 0.86 -4.32 -0.03 0.00 -0.02 0.00 0.00 35.03 31.52 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 -2.33 4.03 -0.26 1.97 0.04 -1.26 -5.00 135.00 132.18 2kdb s PRO 41 Ca 0.24 1.69 -0.29 0.00 0.04 0.00 0.00 61.00 62.68 2kdb s PRO 41 Cb -0.05 -2.56 -0.02 0.00 0.04 0.00 0.00 34.50 31.92 2kdb s PRO 41 CO 0.75 -0.30 1.53 -0.51 0.04 0.00 0.00 177.00 178.51 2kdb s LEU 42 N -2.68 3.84 0.52 -3.56 1.43 -1.26 -4.74 118.68 112.22 2kdb s LEU 42 Ca 0.59 1.43 0.22 0.00 -1.03 0.00 0.00 54.13 55.34 2kdb s LEU 42 Cb -0.27 -3.53 1.33 0.00 0.03 0.00 0.00 46.19 43.75 2kdb s LEU 42 CO 0.33 -1.26 2.03 0.71 0.23 0.00 0.00 176.35 178.39 2kdb h THR 43 N 6.18 0.81 -0.04 5.49 1.35 -1.92 0.19 112.91 124.97 2kdb h THR 43 Ca -0.31 -0.01 -0.20 0.00 -0.55 0.00 0.00 66.41 65.33 2kdb h THR 43 Cb 1.14 0.77 -0.00 0.00 -1.73 0.00 0.00 68.15 68.32 2kdb h THR 43 CO 1.02 0.01 -0.82 0.07 -0.25 0.00 0.00 175.52 175.55 2kdb h LYS 44 N 0.04 0.39 -0.02 4.72 2.10 -2.00 -3.26 116.57 118.53 2kdb h LYS 44 Ca 0.20 -0.36 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 2kdb h LYS 44 Cb 0.74 0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.16 2kdb h LYS 44 CO -0.01 1.02 -0.16 -0.25 -2.00 0.00 0.00 179.45 178.04 2kdb n ASP 45 N -3.79 2.07 -3.62 7.07 8.00 -0.30 -4.69 116.55 121.29 2kdb n ASP 45 Ca -0.05 -1.57 -0.29 0.00 0.71 0.00 0.00 54.79 53.58 2kdb n ASP 45 Cb 0.76 0.14 -0.13 0.00 -0.02 0.00 0.00 41.12 41.88 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 -2.21 1.02 0.57 -1.24 -1.52 0.52 -4.84 119.66 111.96 2kdb s GLN 46 Ca 0.27 -1.77 -0.01 0.00 -1.95 0.00 0.00 55.36 51.91 2kdb s GLN 46 Cb 0.20 -1.95 0.03 0.00 -0.22 0.00 0.00 33.01 31.06 2kdb s GLN 46 CO 0.41 -1.18 0.81 1.03 -0.25 0.00 0.00 175.29 176.11 2kdb s ARG 47 N 0.60 2.57 -0.16 2.91 0.52 -1.26 -4.61 118.95 119.52 2kdb s ARG 47 Ca 0.18 -0.61 -0.03 0.00 -0.52 0.00 0.00 55.73 54.75 2kdb s ARG 47 Cb -0.23 -2.43 -0.03 0.00 0.52 0.00 0.00 34.95 32.78 2kdb s ARG 47 CO 0.00 -0.74 -0.04 -0.51 0.02 0.00 0.00 175.30 174.02 2kdb s LEU 48 N -4.83 3.19 -0.13 2.53 1.02 -1.26 -0.87 118.68 118.33 2kdb s LEU 48 Ca 0.56 -0.16 -0.01 0.00 0.02 0.00 0.00 54.13 54.55 2kdb s LEU 48 Cb -0.10 -1.77 0.03 0.00 0.02 0.00 0.00 46.19 44.37 2kdb s LEU 48 CO 0.40 0.16 -0.05 -0.69 0.02 0.00 0.00 176.35 176.18 2kdb s VAL 49 N 0.43 0.95 -0.68 -1.59 1.01 -0.61 -0.79 120.40 119.13 2kdb s VAL 49 Ca -0.04 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.37 2kdb s VAL 49 Cb -0.14 -1.08 0.14 0.00 0.00 0.00 0.00 36.38 35.29 2kdb s VAL 49 CO 0.03 0.22 0.74 -0.47 0.00 0.00 0.00 175.10 175.62 2kdb s TYR 50 N 1.72 3.21 0.00 5.22 5.04 0.13 -0.96 117.35 131.72 2kdb s TYR 50 Ca 0.03 -1.29 0.00 0.00 -2.44 0.00 0.00 57.07 53.37 2kdb s TYR 50 Cb -0.14 -3.98 0.00 0.00 0.35 0.00 0.00 41.96 38.20 2kdb s TYR 50 CO -0.08 -1.21 0.00 0.45 -1.34 0.00 0.00 175.55 173.37 2kdb n SER 51 N 5.69 0.00 0.00 4.32 2.88 -1.26 -2.19 113.62 123.06 2kdb n SER 51 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 2kdb n SER 51 Cb 0.44 -1.61 0.00 0.00 -0.75 0.00 0.00 64.21 62.29 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 -2.00 0.85 3.88 0.46 0.00 -1.26 -5.15 105.19 101.96 2kdb n GLY 52 Ca 0.00 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 3.60 0.29 1.61 1.04 -0.93 -5.07 118.95 119.48 2kdb s ARG 53 Ca 0.00 -0.03 -0.28 0.00 -1.04 0.00 0.00 55.73 54.38 2kdb s ARG 53 Cb 0.00 -3.10 -0.09 0.00 -2.04 0.00 0.00 34.95 29.72 2kdb s ARG 53 CO 0.00 0.66 0.98 -1.17 -0.04 0.00 0.00 175.30 175.73 2kdb s LEU 54 N -1.64 4.49 -0.56 -1.89 1.98 -1.26 -0.69 118.68 119.11 2kdb s LEU 54 Ca 0.26 1.98 -0.12 0.00 -2.89 0.00 0.00 54.13 53.37 2kdb s LEU 54 Cb -0.13 -3.79 0.14 0.00 0.66 0.00 0.00 46.19 43.07 2kdb s LEU 54 CO 0.15 -0.02 0.46 -0.76 -1.89 0.00 0.00 176.35 174.29 2kdb s LEU 55 N -1.63 5.98 0.35 -0.68 1.43 0.03 -4.89 118.68 119.27 2kdb s LEU 55 Ca 0.46 -2.07 -0.15 0.00 -1.03 0.00 0.00 54.13 51.34 2kdb s LEU 55 Cb -0.24 -2.09 -0.09 0.00 0.03 0.00 0.00 46.19 43.80 2kdb s LEU 55 CO 0.31 -0.70 0.77 -2.16 0.23 0.00 0.00 176.35 174.79 2kdb s PRO 56 N 1.14 4.00 0.53 1.29 0.04 -1.26 -4.49 135.00 136.25 2kdb s PRO 56 Ca 0.08 0.70 0.31 0.00 0.04 0.00 0.00 61.00 62.13 2kdb s PRO 56 Cb -0.24 -2.39 1.38 0.00 0.04 0.00 0.00 34.50 33.28 2kdb s PRO 56 CO -0.01 0.10 2.00 0.38 0.04 0.00 0.00 177.00 179.52 2kdb h ASP 57 N 2.07 0.00 0.75 6.66 2.03 -1.98 -3.16 116.42 122.79 2kdb h ASP 57 Ca -0.48 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 55.81 2kdb h ASP 57 Cb 1.18 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.68 2kdb h ASP 57 CO 0.65 0.09 -0.04 1.12 -1.03 0.00 0.00 179.24 180.03 2kdb h HIS 58 N 0.00 0.00 -1.95 4.15 2.07 -1.98 -3.33 115.15 114.11 2kdb h HIS 58 Ca -0.00 0.00 -0.60 0.00 -2.85 0.00 0.00 60.37 56.92 2kdb h HIS 58 Cb 0.48 0.00 -0.12 0.00 2.57 0.00 0.00 27.41 30.34 2kdb h HIS 58 CO 0.00 0.04 -0.65 -0.48 -3.07 0.00 0.00 177.93 173.77 2kdb s LEU 59 N -6.37 2.87 0.57 6.12 0.05 -1.19 -5.06 118.68 115.66 2kdb s LEU 59 Ca -0.01 -1.07 -0.10 0.00 0.05 0.00 0.00 54.13 53.00 2kdb s LEU 59 Cb 0.10 -1.21 -0.05 0.00 -2.05 0.00 0.00 46.19 42.99 2kdb s LEU 59 CO 0.53 -0.20 0.96 -1.10 -0.55 0.00 0.00 176.35 175.99 2kdb s GLN 60 N -3.66 3.64 0.32 1.48 1.11 -1.26 -2.70 119.66 118.59 2kdb s GLN 60 Ca 0.34 0.65 0.01 0.00 0.01 0.00 0.00 55.36 56.36 2kdb s GLN 60 Cb 0.01 -2.16 0.56 0.00 -1.01 0.00 0.00 33.01 30.40 2kdb s GLN 60 CO 0.18 -0.43 1.95 -0.07 0.01 0.00 0.00 175.29 176.93 2kdb h LEU 61 N 0.03 0.85 -1.64 2.90 3.38 -1.61 -2.66 115.31 116.56 2kdb h LEU 61 Ca -0.45 -0.01 0.23 0.00 0.09 0.00 0.00 57.88 57.74 2kdb h LEU 61 Cb 1.19 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.69 2kdb h LEU 61 CO 0.62 0.57 0.62 0.07 0.09 0.00 0.00 178.44 180.42 2kdb h LYS 62 N 0.98 0.27 -0.92 1.13 5.09 -1.83 -1.22 116.57 120.08 2kdb h LYS 62 Ca 0.33 -0.02 0.20 0.00 0.09 0.00 0.00 60.65 61.26 2kdb h LYS 62 Cb 0.09 -0.06 -0.11 0.00 0.10 0.00 0.00 32.23 32.24 2kdb h LYS 62 CO -0.10 0.18 0.47 0.22 -2.09 0.00 0.00 179.45 178.13 2kdb h ASP 63 N 0.28 0.50 0.00 7.07 3.58 -1.85 -1.70 116.42 124.31 2kdb h ASP 63 Ca 0.48 0.13 -0.23 0.00 0.42 0.00 0.00 57.03 57.82 2kdb h ASP 63 Cb 1.39 0.06 -0.04 0.00 1.72 0.00 0.00 39.33 42.45 2kdb h ASP 63 CO -0.14 0.11 -1.93 -0.38 -2.88 0.00 0.00 179.24 174.02 2kdb n ILE 64 N -4.94 0.87 -0.79 2.25 -0.00 -0.88 -4.72 119.36 111.17 2kdb n ILE 64 Ca 0.22 -0.57 0.08 0.00 -0.00 0.00 0.00 62.75 62.48 2kdb n ILE 64 Cb 0.61 -0.57 0.26 0.00 -0.00 0.00 0.00 39.64 39.94 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 3.90 0.05 1.39 4.77 -0.51 -4.40 117.00 119.72 2kdb n LEU 65 Ca -0.21 -2.75 -0.15 0.00 -0.03 0.00 0.00 56.01 52.87 2kdb n LEU 65 Cb 0.91 -0.49 -0.05 0.00 -2.33 0.00 0.00 43.42 41.45 2kdb n LEU 65 CO 0.30 0.69 0.19 -0.09 -1.33 0.00 0.00 177.39 177.15 2kdb h ARG 66 N 2.19 0.51 0.41 3.23 2.43 -1.55 -2.69 114.38 118.90 2kdb h ARG 66 Ca 0.00 -0.52 -0.01 0.00 -0.81 0.00 0.00 59.98 58.65 2kdb h ARG 66 Cb 1.34 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 31.00 2kdb h ARG 66 CO 0.20 1.15 -0.51 0.87 -1.51 0.00 0.00 179.97 180.17 2kdb h LYS 67 N 0.30 -0.91 0.23 0.20 1.57 -1.86 -2.92 116.57 113.18 2kdb h LYS 67 Ca -0.08 0.06 -0.34 0.00 -1.87 0.00 0.00 60.65 58.42 2kdb h LYS 67 Cb 1.55 0.21 0.03 0.00 0.08 0.00 0.00 32.23 34.10 2kdb h LYS 67 CO 0.17 -0.61 -1.55 0.37 -0.57 0.00 0.00 179.45 177.26 2kdb h GLN 68 N -0.94 0.49 0.00 3.15 5.75 -1.90 -3.48 115.11 118.18 2kdb h GLN 68 Ca -0.05 -0.84 0.00 0.00 -0.15 0.00 0.00 58.65 57.61 2kdb h GLN 68 Cb 0.85 0.31 0.00 0.00 1.07 0.00 0.00 27.48 29.71 2kdb h GLN 68 CO -0.12 1.40 0.00 -3.47 -2.65 0.00 0.00 178.83 173.99 2kdb n ASP 69 N -3.67 0.00 0.00 -0.69 2.03 -1.01 -4.71 116.55 108.49 2kdb n ASP 69 Ca -0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.12 2kdb n ASP 69 Cb 1.10 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.50 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 -3.84 -0.67 4.07 -1.26 -4.55 120.64 114.39 2kdb n GLU 70 Ca 0.00 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 56.73 2kdb n GLU 70 Cb 0.00 -0.15 -0.06 0.00 -0.06 0.00 0.00 31.44 31.17 2kdb n GLU 70 CO 0.00 0.00 0.00 1.52 -0.06 0.00 0.00 177.13 178.59 2kdb s TYR 71 N 0.00 3.61 -0.25 4.31 -0.85 -1.25 -0.81 117.35 122.11 2kdb s TYR 71 Ca 0.00 0.58 -0.03 0.00 -0.52 0.00 0.00 57.07 57.10 2kdb s TYR 71 Cb 0.00 -1.98 0.10 0.00 0.38 0.00 0.00 41.96 40.47 2kdb s TYR 71 CO 0.00 0.72 0.20 -1.01 -1.52 0.00 0.00 175.55 173.94 2kdb s HIS 72 N -1.05 -0.07 -0.60 -3.49 3.76 -0.50 -4.88 115.29 108.46 2kdb s HIS 72 Ca 0.17 -0.34 -0.27 0.00 -0.15 0.00 0.00 55.06 54.46 2kdb s HIS 72 Cb -0.13 -0.62 0.01 0.00 1.11 0.00 0.00 32.58 32.96 2kdb s HIS 72 CO 0.06 -0.76 1.47 0.00 -0.85 0.00 0.00 174.74 174.65 2kdb s MET 73 N 2.24 3.17 -0.14 1.40 0.23 -1.26 -0.94 119.30 124.00 2kdb s MET 73 Ca 0.08 0.37 0.02 0.00 -1.03 0.00 0.00 55.69 55.12 2kdb s MET 73 Cb -0.15 -4.18 0.00 0.00 -1.53 0.00 0.00 34.83 28.97 2kdb s MET 73 CO -0.26 -2.10 -0.19 0.08 -2.03 0.00 0.00 175.02 170.52 2kdb s VAL 74 N 6.49 2.42 -0.49 5.16 1.01 -0.42 -4.32 120.40 130.25 2kdb s VAL 74 Ca 0.52 -0.87 -0.28 0.00 0.00 0.00 0.00 61.98 61.35 2kdb s VAL 74 Cb -0.11 -1.99 0.03 0.00 0.00 0.00 0.00 36.38 34.31 2kdb s VAL 74 CO 0.23 0.53 1.10 -1.00 0.00 0.00 0.00 175.10 175.96 2kdb s HIS 75 N 0.68 2.80 -0.85 5.22 3.76 -0.13 -1.10 115.29 125.66 2kdb s HIS 75 Ca -0.09 0.58 -0.25 0.00 -0.15 0.00 0.00 55.06 55.15 2kdb s HIS 75 Cb -0.16 -4.35 0.02 0.00 1.11 0.00 0.00 32.58 29.20 2kdb s HIS 75 CO 0.02 -1.29 1.48 -1.17 -0.85 0.00 0.00 174.74 172.93 2kdb s LEU 76 N 4.38 3.30 0.00 0.89 2.96 -0.51 -1.57 118.68 128.13 2kdb s LEU 76 Ca 0.45 -0.77 0.30 0.00 -0.22 0.00 0.00 54.13 53.88 2kdb s LEU 76 Cb -0.08 -2.56 1.44 0.00 0.50 0.00 0.00 46.19 45.49 2kdb s LEU 76 CO 0.30 -1.87 1.96 1.33 -1.32 0.00 0.00 176.35 176.75