#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk5 s SER 2 N 0.00 -0.21 0.14 1.61 1.04 -1.26 -5.18 113.70 109.84 2dk5 s SER 2 Ca 0.00 -0.61 0.10 0.00 0.48 0.00 0.00 55.95 55.92 2dk5 s SER 2 Cb 0.00 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.68 2dk5 s SER 2 CO 0.00 -1.11 -0.24 -0.55 0.98 0.00 0.00 173.24 172.32 2dk5 s SER 3 N -2.91 3.11 0.00 7.02 0.15 -1.26 -5.10 113.70 114.71 2dk5 s SER 3 Ca 0.13 -0.77 0.00 0.00 0.70 0.00 0.00 55.95 56.00 2dk5 s SER 3 Cb -0.02 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.09 2dk5 s SER 3 CO 0.01 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.18 2dk5 n GLY 4 N 0.73 3.95 3.37 9.45 0.00 -1.26 -5.17 105.19 116.27 2dk5 n GLY 4 Ca -0.17 -1.40 -0.12 0.00 0.00 0.00 0.00 46.02 44.33 2dk5 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dk5 s SER 5 N 0.00 -0.40 0.31 1.61 0.01 -1.26 -5.19 113.70 108.79 2dk5 s SER 5 Ca 0.00 -0.09 -0.10 0.00 1.31 0.00 0.00 55.95 57.07 2dk5 s SER 5 Cb 0.00 0.52 0.01 0.00 0.21 0.00 0.00 66.02 66.76 2dk5 s SER 5 CO 0.00 -0.86 0.54 -0.55 0.41 0.00 0.00 173.24 172.78 2dk5 s SER 6 N -2.59 0.30 -0.39 2.44 0.15 -1.26 -5.14 113.70 107.21 2dk5 s SER 6 Ca 0.00 -1.17 -0.02 0.00 0.70 0.00 0.00 55.95 55.46 2dk5 s SER 6 Cb 0.00 0.67 0.20 0.00 -1.71 0.00 0.00 66.02 65.18 2dk5 s SER 6 CO -0.10 -1.31 0.95 -0.83 1.20 0.00 0.00 173.24 173.15 2dk5 s GLY 7 N -3.11 -1.62 -0.42 9.45 0.00 -1.26 -5.11 107.32 105.25 2dk5 s GLY 7 Ca 0.24 0.43 -0.04 0.00 0.00 0.00 0.00 44.72 45.35 2dk5 s GLY 7 CO 0.14 4.08 0.23 -0.35 0.00 0.00 0.00 173.10 177.20 2dk5 s ASP 8 N 1.23 5.35 -0.18 1.64 2.15 -1.26 -4.96 116.67 120.64 2dk5 s ASP 8 Ca 0.23 -1.98 -0.02 0.00 0.43 0.00 0.00 52.55 51.21 2dk5 s ASP 8 Cb 0.06 -1.87 0.06 0.00 -0.30 0.00 0.00 42.92 40.87 2dk5 s ASP 8 CO -0.10 -0.57 2.31 -0.24 -0.17 0.00 0.00 175.17 176.40 2dk5 n SER 9 N 4.67 5.92 -3.15 -0.34 2.88 -1.26 -4.64 113.62 117.70 2dk5 n SER 9 Ca -0.04 -2.77 0.04 0.00 -1.33 0.00 0.00 58.87 54.77 2dk5 n SER 9 Cb 0.41 -1.15 -0.01 0.00 -0.75 0.00 0.00 64.21 62.71 2dk5 n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dk5 s GLN 10 N -0.80 0.47 -0.05 -1.46 -2.07 -1.26 -5.03 119.66 109.46 2dk5 s GLN 10 Ca 0.28 0.76 -0.26 0.00 -1.82 0.00 0.00 55.36 54.32 2dk5 s GLN 10 Cb 0.18 0.41 -0.21 0.00 -1.09 0.00 0.00 33.01 32.31 2dk5 s GLN 10 CO -0.03 -0.58 1.13 -0.97 -1.32 0.00 0.00 175.29 173.52 2dk5 h ASN 11 N 7.97 -0.02 0.13 12.60 -1.24 -2.05 -3.36 115.58 129.61 2dk5 h ASN 11 Ca -0.17 -0.58 -0.23 0.00 0.71 0.00 0.00 56.30 56.03 2dk5 h ASN 11 Cb 1.17 0.01 0.01 0.00 0.73 0.00 0.00 38.32 40.23 2dk5 h ASN 11 CO 0.15 0.58 -1.09 0.00 -1.29 0.00 0.00 177.43 175.78 2dk5 h ALA 12 N 0.32 0.03 -3.82 1.57 0.00 -1.99 -3.50 119.26 111.86 2dk5 h ALA 12 Ca -0.00 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.03 2dk5 h ALA 12 Cb 0.60 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2dk5 h ALA 12 CO 0.00 0.58 -0.73 0.41 0.00 0.00 0.00 179.25 179.51 2dk5 n GLY 13 N 1.70 -4.39 3.82 0.00 0.00 -1.26 -5.01 105.19 100.05 2dk5 n GLY 13 Ca -0.19 0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 2dk5 n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dk5 s LYS 14 N -1.02 3.81 -0.36 1.61 3.01 -1.26 -5.00 119.74 120.53 2dk5 s LYS 14 Ca -0.09 0.01 -0.38 0.00 -1.01 0.00 0.00 55.97 54.50 2dk5 s LYS 14 Cb 0.01 -3.28 -0.14 0.00 -1.01 0.00 0.00 37.83 33.41 2dk5 s LYS 14 CO 0.23 0.58 2.07 -0.12 0.51 0.00 0.00 175.35 178.63 2dk5 n MET 15 N 2.50 0.88 -3.81 1.68 1.56 -1.26 -4.92 117.12 113.75 2dk5 n MET 15 Ca -0.17 0.27 -0.36 0.00 -0.27 0.00 0.00 57.70 57.17 2dk5 n MET 15 Cb 0.53 -2.18 -0.08 0.00 2.15 0.00 0.00 33.22 33.65 2dk5 n MET 15 CO 0.00 0.00 0.00 -1.59 -0.73 0.00 0.00 175.97 173.65 2dk5 s LYS 16 N 5.52 3.91 -0.16 2.12 -2.85 -1.26 -5.05 119.74 121.98 2dk5 s LYS 16 Ca 1.09 -0.21 -0.35 0.00 -1.00 0.00 0.00 55.97 55.51 2dk5 s LYS 16 Cb -1.04 -3.32 0.15 0.00 -2.06 0.00 0.00 37.83 31.56 2dk5 s LYS 16 CO 0.57 0.46 1.42 0.20 0.10 0.00 0.00 175.35 178.09 2dk5 s GLY 17 N -0.10 -0.40 -0.10 0.59 0.00 -1.26 -5.01 107.32 101.04 2dk5 s GLY 17 Ca 0.10 1.28 -0.15 0.00 0.00 0.00 0.00 44.72 45.94 2dk5 s GLY 17 CO 0.00 0.33 0.58 1.76 0.00 0.00 0.00 173.10 175.77 2dk5 h SER 18 N 2.00 0.41 0.13 1.64 0.02 -2.06 -3.39 113.55 112.30 2dk5 h SER 18 Ca -0.23 -0.87 -0.01 0.00 -0.84 0.00 0.00 61.79 59.85 2dk5 h SER 18 Cb 1.17 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.58 2dk5 h SER 18 CO 0.26 1.63 -0.06 0.44 -1.14 0.00 0.00 176.83 177.96 2dk5 h ASP 19 N -0.26 -0.15 -6.54 3.07 3.32 -2.02 -3.47 116.42 110.37 2dk5 h ASP 19 Ca -0.30 -0.41 -0.51 0.00 0.02 0.00 0.00 57.03 55.83 2dk5 h ASP 19 Cb 1.80 0.04 -0.08 0.00 0.22 0.00 0.00 39.33 41.31 2dk5 h ASP 19 CO 0.08 0.41 -0.88 -0.46 -1.72 0.00 0.00 179.24 176.67 2dk5 n ASN 20 N -4.90 -0.88 0.00 6.45 6.94 -1.26 -4.88 115.26 116.73 2dk5 n ASN 20 Ca -0.08 -1.01 -0.21 0.00 -0.02 0.00 0.00 54.58 53.26 2dk5 n ASN 20 Cb 0.27 -3.00 -0.14 0.00 -2.36 0.00 0.00 39.78 34.55 2dk5 n ASN 20 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2dk5 n GLN 21 N -4.41 0.76 0.27 -3.83 3.00 -1.26 -3.62 117.38 108.28 2dk5 n GLN 21 Ca -0.24 0.26 0.17 0.00 -0.01 0.00 0.00 57.00 57.18 2dk5 n GLN 21 Cb 0.65 -1.70 0.67 0.00 0.00 0.00 0.00 30.24 29.85 2dk5 n GLN 21 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 2dk5 h GLU 22 N 0.06 0.00 0.02 -1.09 4.81 -1.97 -2.72 114.58 113.69 2dk5 h GLU 22 Ca -0.43 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.57 2dk5 h GLU 22 Cb 2.03 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.38 2dk5 h GLU 22 CO 0.08 0.00 -1.18 1.57 -0.73 0.00 0.00 179.01 178.75 2dk5 h LYS 23 N 0.00 0.03 0.00 1.92 2.10 -1.96 -2.86 116.57 115.80 2dk5 h LYS 23 Ca 0.00 -0.05 -0.12 0.00 -2.00 0.00 0.00 60.65 58.48 2dk5 h LYS 23 Cb 0.52 0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.85 2dk5 h LYS 23 CO 0.00 0.93 -0.55 1.25 -2.00 0.00 0.00 179.45 179.07 2dk5 h LEU 24 N 0.01 0.00 0.25 7.07 5.85 -1.55 -2.98 115.31 123.95 2dk5 h LEU 24 Ca -0.08 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.30 2dk5 h LEU 24 Cb 1.84 0.00 0.04 0.00 0.37 0.00 0.00 40.66 42.91 2dk5 h LEU 24 CO 0.13 0.55 -1.52 0.58 -0.34 0.00 0.00 178.44 177.84 2dk5 h VAL 25 N 0.00 1.24 -0.75 1.05 2.07 -1.57 -3.21 116.25 115.09 2dk5 h VAL 25 Ca -0.01 -2.69 -0.04 0.00 0.82 0.00 0.00 66.70 64.79 2dk5 h VAL 25 Cb 1.25 3.01 -0.03 0.00 -1.52 0.00 0.00 31.29 34.00 2dk5 h VAL 25 CO 0.07 0.82 0.31 0.22 0.02 0.00 0.00 177.57 179.01 2dk5 h TYR 26 N 0.14 1.12 -0.56 1.57 3.20 -1.55 -2.03 116.97 118.86 2dk5 h TYR 26 Ca -0.27 -0.07 -0.05 0.00 3.14 0.00 0.00 58.73 61.48 2dk5 h TYR 26 Cb 2.16 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 40.07 2dk5 h TYR 26 CO 0.12 0.84 0.15 1.96 -1.64 0.00 0.00 178.16 179.60 2dk5 h GLN 27 N 1.08 0.85 -0.44 1.82 1.08 -1.62 -1.98 115.11 115.90 2dk5 h GLN 27 Ca 0.25 -0.17 -0.14 0.00 -1.45 0.00 0.00 58.65 57.15 2dk5 h GLN 27 Cb 0.19 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 2dk5 h GLN 27 CO -0.02 0.75 -0.28 0.82 -0.95 0.00 0.00 178.83 179.15 2dk5 h ILE 28 N 0.82 1.27 0.26 2.54 2.04 -1.45 -2.50 117.51 120.49 2dk5 h ILE 28 Ca 0.18 -1.45 -0.01 0.00 1.00 0.00 0.00 64.86 64.58 2dk5 h ILE 28 Cb 0.27 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 2dk5 h ILE 28 CO -0.00 0.49 -0.12 0.40 0.00 0.00 0.00 178.15 178.91 2dk5 h ILE 29 N 0.80 0.79 -0.11 -0.67 2.04 -1.09 -2.58 117.51 116.69 2dk5 h ILE 29 Ca 0.09 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.72 2dk5 h ILE 29 Cb 0.86 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.88 2dk5 h ILE 29 CO 0.08 0.06 0.09 1.05 0.00 0.00 0.00 178.15 179.43 2dk5 h GLU 30 N -0.48 0.00 -0.70 2.37 4.11 -1.40 -1.39 114.58 117.09 2dk5 h GLU 30 Ca -0.04 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.33 2dk5 h GLU 30 Cb 0.36 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 2dk5 h GLU 30 CO 0.06 0.00 0.17 0.22 0.07 0.00 0.00 179.01 179.53 2dk5 h ASP 31 N 0.00 1.06 -1.00 3.06 1.82 -1.05 -2.78 116.42 117.54 2dk5 h ASP 31 Ca 0.05 -0.23 0.13 0.00 -0.39 0.00 0.00 57.03 56.59 2dk5 h ASP 31 Cb 0.24 -0.28 -0.09 0.00 0.68 0.00 0.00 39.33 39.88 2dk5 h ASP 31 CO -0.00 1.02 0.63 0.00 -1.61 0.00 0.00 179.24 179.28 2dk5 h ALA 32 N 1.08 1.57 0.00 -0.78 0.00 -1.05 -3.48 119.26 116.60 2dk5 h ALA 32 Ca 0.22 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2dk5 h ALA 32 Cb 0.37 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2dk5 h ALA 32 CO 0.00 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.82 2dk5 n GLY 33 N -1.35 0.53 0.17 0.00 0.00 -1.05 -4.10 105.19 99.38 2dk5 n GLY 33 Ca 0.20 -1.44 0.05 0.00 0.00 0.00 0.00 46.02 44.83 2dk5 n GLY 33 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2dk5 h ASN 34 N 3.10 0.00 0.31 1.61 7.08 -1.92 -2.98 115.58 122.78 2dk5 h ASN 34 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2dk5 h ASN 34 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2dk5 h ASN 34 CO 0.00 0.40 0.00 2.29 -2.08 0.00 0.00 177.43 178.04 2dk5 n LYS 35 N -3.32 0.21 -0.78 4.14 2.85 -1.26 -4.98 118.16 115.02 2dk5 n LYS 35 Ca 0.01 0.14 0.11 0.00 -1.05 0.00 0.00 58.31 57.52 2dk5 n LYS 35 Cb 0.61 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.47 2dk5 n LYS 35 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2dk5 n GLY 36 N 0.07 -1.40 3.06 2.58 0.00 -1.13 -4.95 105.19 103.42 2dk5 n GLY 36 Ca 0.07 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 2dk5 n GLY 36 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2dk5 s ILE 37 N -1.21 0.09 0.17 -0.61 2.07 -0.89 -4.72 121.20 116.09 2dk5 s ILE 37 Ca 0.00 -0.76 -0.29 0.00 -1.41 0.00 0.00 60.65 58.19 2dk5 s ILE 37 Cb 0.00 -0.37 -0.07 0.00 0.13 0.00 0.00 42.46 42.14 2dk5 s ILE 37 CO 0.00 -0.42 0.91 0.86 -1.91 0.00 0.00 174.94 174.39 2dk5 s TRP 38 N -1.41 3.89 0.32 3.50 -0.00 -1.26 -0.58 118.94 123.41 2dk5 s TRP 38 Ca -0.15 1.80 0.09 0.00 -0.00 0.00 0.00 56.10 57.85 2dk5 s TRP 38 Cb -0.08 -2.97 0.95 0.00 -0.00 0.00 0.00 33.47 31.36 2dk5 s TRP 38 CO 0.01 0.36 1.63 0.66 -0.00 0.00 0.00 176.95 179.61 2dk5 h SER 39 N 4.82 0.16 0.37 5.86 4.64 -1.87 -0.10 113.55 127.43 2dk5 h SER 39 Ca -0.44 0.22 -0.02 0.00 -0.47 0.00 0.00 61.79 61.07 2dk5 h SER 39 Cb 1.21 0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 2dk5 h SER 39 CO 0.69 -0.22 -0.18 -0.09 -0.87 0.00 0.00 176.83 176.17 2dk5 h ARG 40 N 0.19 -0.48 -1.83 4.77 2.43 -1.92 -2.96 114.38 114.58 2dk5 h ARG 40 Ca 0.67 0.03 0.54 0.00 -0.81 0.00 0.00 59.98 60.41 2dk5 h ARG 40 Cb 1.50 0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 31.08 2dk5 h ARG 40 CO -0.69 -0.16 1.31 -0.44 -1.51 0.00 0.00 179.97 178.48 2dk5 h ASP 41 N -0.85 0.02 0.05 -3.80 5.19 -1.41 0.55 116.42 116.17 2dk5 h ASP 41 Ca -0.05 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.37 2dk5 h ASP 41 Cb 0.53 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.06 2dk5 h ASP 41 CO 0.08 -0.02 -0.03 0.58 -3.12 0.00 0.00 179.24 176.74 2dk5 h VAL 42 N 0.00 1.29 -0.71 -1.35 2.07 -1.27 -3.19 116.25 113.10 2dk5 h VAL 42 Ca 0.89 -1.30 0.11 0.00 0.82 0.00 0.00 66.70 67.21 2dk5 h VAL 42 Cb 3.51 2.13 -0.11 0.00 -1.52 0.00 0.00 31.29 35.29 2dk5 h VAL 42 CO -0.05 0.32 -0.28 0.54 0.02 0.00 0.00 177.57 178.12 2dk5 n ARG 43 N -4.85 -0.17 0.38 1.57 1.74 0.19 0.29 116.66 115.81 2dk5 n ARG 43 Ca -0.09 1.08 -0.18 0.00 -0.77 0.00 0.00 57.85 57.90 2dk5 n ARG 43 Cb 0.29 -1.61 -0.09 0.00 -1.02 0.00 0.00 32.46 30.03 2dk5 n ARG 43 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 2dk5 h TYR 44 N 0.00 -0.88 0.17 -1.55 -1.99 -1.64 0.97 116.97 112.06 2dk5 h TYR 44 Ca 0.24 -0.02 0.01 0.00 2.00 0.00 0.00 58.73 60.96 2dk5 h TYR 44 Cb 0.42 0.29 -0.04 0.00 2.00 0.00 0.00 36.73 39.41 2dk5 h TYR 44 CO -0.62 -0.54 -0.45 0.87 -0.00 0.00 0.00 178.16 177.41 2dk5 h LYS 45 N -0.94 -0.67 0.00 4.88 1.79 -0.31 -0.05 116.57 121.27 2dk5 h LYS 45 Ca -0.09 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2dk5 h LYS 45 Cb 0.72 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 2dk5 h LYS 45 CO 0.15 -0.45 0.00 -1.13 -1.08 0.00 0.00 179.45 176.94 2dk5 n SER 46 N -5.04 0.27 -2.12 0.86 3.41 0.14 -4.84 113.62 106.29 2dk5 n SER 46 Ca -0.08 0.58 -0.15 0.00 -0.26 0.00 0.00 58.87 58.96 2dk5 n SER 46 Cb 0.36 -0.63 -0.02 0.00 -0.26 0.00 0.00 64.21 63.66 2dk5 n SER 46 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2dk5 n ASN 47 N -1.81 -4.30 -4.78 4.04 3.02 0.33 -4.95 115.26 106.82 2dk5 n ASN 47 Ca 0.02 0.21 -0.24 0.00 -0.03 0.00 0.00 54.58 54.53 2dk5 n ASN 47 Cb 0.16 -3.72 -0.05 0.00 -0.61 0.00 0.00 39.78 35.56 2dk5 n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2dk5 s LEU 48 N -5.19 3.69 0.66 3.41 1.43 -0.74 -4.99 118.68 116.95 2dk5 s LEU 48 Ca 0.00 -0.25 -0.15 0.00 -1.03 0.00 0.00 54.13 52.70 2dk5 s LEU 48 Cb 0.00 -2.27 0.00 0.00 0.03 0.00 0.00 46.19 43.95 2dk5 s LEU 48 CO 0.00 0.03 1.11 -2.16 0.23 0.00 0.00 176.35 175.56 2dk5 s PRO 49 N -3.40 2.78 0.26 1.29 0.04 -1.26 -4.62 135.00 130.09 2dk5 s PRO 49 Ca 0.31 1.38 -0.01 0.00 0.04 0.00 0.00 61.00 62.72 2dk5 s PRO 49 Cb -0.09 -1.95 0.58 0.00 0.04 0.00 0.00 34.50 33.08 2dk5 s PRO 49 CO 0.23 -1.26 1.69 1.25 0.04 0.00 0.00 177.00 178.95 2dk5 h LEU 50 N -0.01 0.18 -2.45 -3.56 7.12 -1.98 0.71 115.31 115.32 2dk5 h LEU 50 Ca -0.47 0.15 0.02 0.00 0.13 0.00 0.00 57.88 57.71 2dk5 h LEU 50 Cb 1.25 0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 41.53 2dk5 h LEU 50 CO 0.54 -0.00 0.10 0.00 -0.13 0.00 0.00 178.44 178.94 2dk5 h THR 51 N 0.35 0.38 0.09 1.05 1.03 -1.99 0.19 112.91 114.00 2dk5 h THR 51 Ca 0.48 0.00 -0.27 0.00 -0.01 0.00 0.00 66.41 66.60 2dk5 h THR 51 Cb 0.85 0.92 -0.01 0.00 -1.07 0.00 0.00 68.15 68.84 2dk5 h THR 51 CO -0.51 0.00 -1.44 -0.33 -0.01 0.00 0.00 175.52 173.23 2dk5 h GLU 52 N 0.00 0.20 -0.38 0.00 4.39 0.02 -3.13 114.58 115.68 2dk5 h GLU 52 Ca 0.03 -0.34 -0.09 0.00 0.34 0.00 0.00 59.36 59.31 2dk5 h GLU 52 Cb 0.22 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 2dk5 h GLU 52 CO -0.00 1.16 -0.12 0.82 -1.16 0.00 0.00 179.01 179.71 2dk5 h ILE 53 N -0.39 1.25 0.15 3.13 5.03 -0.55 0.29 117.51 126.43 2dk5 h ILE 53 Ca -0.32 -1.13 -0.01 0.00 -0.12 0.00 0.00 64.86 63.28 2dk5 h ILE 53 Cb 1.70 1.09 0.00 0.00 -3.03 0.00 0.00 36.82 36.58 2dk5 h ILE 53 CO 0.01 0.38 -0.07 0.78 -0.68 0.00 0.00 178.15 178.57 2dk5 h ASN 54 N 0.61 -0.17 -0.33 1.72 4.21 -0.81 0.28 115.58 121.10 2dk5 h ASN 54 Ca 0.11 -0.30 -0.11 0.00 1.21 0.00 0.00 56.30 57.21 2dk5 h ASN 54 Cb 0.56 0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.79 2dk5 h ASN 54 CO 0.04 0.24 -0.19 0.07 -1.29 0.00 0.00 177.43 176.29 2dk5 h LYS 55 N -0.61 0.80 0.27 0.81 2.10 -1.52 -2.83 116.57 115.59 2dk5 h LYS 55 Ca -0.02 -0.31 -0.01 0.00 -2.00 0.00 0.00 60.65 58.31 2dk5 h LYS 55 Cb 0.46 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 2dk5 h LYS 55 CO 0.03 0.92 -0.13 0.82 -2.00 0.00 0.00 179.45 179.10 2dk5 h ILE 56 N 0.70 0.65 -0.78 0.07 2.04 -0.44 -1.53 117.51 118.22 2dk5 h ILE 56 Ca 0.10 -0.82 0.18 0.00 1.00 0.00 0.00 64.86 65.32 2dk5 h ILE 56 Cb 0.70 1.02 -0.14 0.00 -0.74 0.00 0.00 36.82 37.66 2dk5 h ILE 56 CO 0.05 0.14 -0.06 -0.07 0.00 0.00 0.00 178.15 178.22 2dk5 h LEU 57 N -0.87 -0.48 0.57 1.44 3.38 -0.47 -1.28 115.31 117.60 2dk5 h LEU 57 Ca -0.04 0.22 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 2dk5 h LEU 57 Cb 0.51 0.40 0.01 0.00 0.09 0.00 0.00 40.66 41.67 2dk5 h LEU 57 CO 0.06 -0.22 -0.27 0.50 0.09 0.00 0.00 178.44 178.60 2dk5 h LYS 58 N 0.06 -0.73 -1.73 1.13 3.64 -1.55 -2.85 116.57 114.54 2dk5 h LYS 58 Ca 0.42 0.05 0.50 0.00 -1.27 0.00 0.00 60.65 60.35 2dk5 h LYS 58 Cb 0.73 0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 32.64 2dk5 h LYS 58 CO -0.73 -0.43 1.31 -0.91 -2.27 0.00 0.00 179.45 176.42 2dk5 h ASN 59 N -1.07 0.00 0.02 4.20 2.35 -0.42 1.04 115.58 121.70 2dk5 h ASN 59 Ca -0.08 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.53 2dk5 h ASN 59 Cb 0.64 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.03 2dk5 h ASN 59 CO 0.13 0.00 -0.57 -0.07 -1.65 0.00 0.00 177.43 175.27 2dk5 h LEU 60 N 0.00 0.47 -2.01 1.61 3.38 -1.07 -3.10 115.31 114.60 2dk5 h LEU 60 Ca 0.82 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2dk5 h LEU 60 Cb 3.44 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 44.04 2dk5 h LEU 60 CO -0.01 1.21 0.06 -0.33 0.09 0.00 0.00 178.44 179.46 2dk5 h GLU 61 N -0.21 0.00 0.09 1.13 5.08 0.13 -0.38 114.58 120.42 2dk5 h GLU 61 Ca -0.08 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.97 2dk5 h GLU 61 Cb 1.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 2dk5 h GLU 61 CO 0.11 0.00 -1.65 1.03 -1.00 0.00 0.00 179.01 177.50 2dk5 h SER 62 N 0.00 0.29 -0.03 1.42 0.87 -1.41 -3.30 113.55 111.39 2dk5 h SER 62 Ca 0.00 -0.48 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2dk5 h SER 62 Cb 0.12 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2dk5 h SER 62 CO 0.00 1.41 0.00 0.29 -0.53 0.00 0.00 176.83 178.00 2dk5 n LYS 63 N -3.36 1.10 -3.27 2.24 5.02 -0.18 -4.85 118.16 114.86 2dk5 n LYS 63 Ca -0.19 -0.13 -0.24 0.00 -2.02 0.00 0.00 58.31 55.74 2dk5 n LYS 63 Cb 1.04 -1.13 0.04 0.00 -0.02 0.00 0.00 35.03 34.96 2dk5 n LYS 63 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2dk5 n LYS 64 N -0.31 -5.64 -0.10 1.97 4.76 -1.13 -4.88 118.16 112.83 2dk5 n LYS 64 Ca 0.01 0.83 -0.10 0.00 -2.87 0.00 0.00 58.31 56.18 2dk5 n LYS 64 Cb 0.08 -5.73 -0.14 0.00 -1.84 0.00 0.00 35.03 27.40 2dk5 n LYS 64 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2dk5 n LEU 65 N -4.32 0.31 0.00 -0.35 4.77 -1.03 -4.67 117.00 111.70 2dk5 n LEU 65 Ca -0.06 -0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 55.82 2dk5 n LEU 65 Cb 0.59 0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 41.98 2dk5 n LEU 65 CO 0.55 0.51 0.03 2.30 -1.33 0.00 0.00 177.39 179.45 2dk5 n ILE 66 N -2.75 0.00 -3.79 -0.08 -5.35 -1.25 -0.53 119.36 105.61 2dk5 n ILE 66 Ca -0.32 -1.06 -0.08 0.00 -0.27 0.00 0.00 62.75 61.01 2dk5 n ILE 66 Cb 1.10 0.60 -0.03 0.00 -1.74 0.00 0.00 39.64 39.57 2dk5 n ILE 66 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 2dk5 s LYS 67 N -2.53 1.61 -0.25 6.28 -2.85 -0.21 -4.35 119.74 117.44 2dk5 s LYS 67 Ca 0.17 -0.93 -0.10 0.00 -1.00 0.00 0.00 55.97 54.12 2dk5 s LYS 67 Cb 0.00 0.57 -0.05 0.00 -2.06 0.00 0.00 37.83 36.30 2dk5 s LYS 67 CO 0.12 -0.72 0.15 0.00 0.10 0.00 0.00 175.35 175.01 2dk5 s ALA 68 N -3.90 3.51 -0.35 0.59 0.00 -1.26 -2.37 121.76 117.98 2dk5 s ALA 68 Ca 0.11 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.09 2dk5 s ALA 68 Cb -0.04 -2.33 0.11 0.00 0.00 0.00 0.00 23.12 20.86 2dk5 s ALA 68 CO 0.03 -0.34 0.11 0.08 0.00 0.00 0.00 175.76 175.64 2dk5 s VAL 69 N 1.35 1.52 -0.73 0.00 1.01 0.17 -4.81 120.40 118.91 2dk5 s VAL 69 Ca 0.07 -2.00 -0.27 0.00 0.00 0.00 0.00 61.98 59.78 2dk5 s VAL 69 Cb -0.15 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.13 2dk5 s VAL 69 CO 0.07 -0.69 1.42 -0.75 0.00 0.00 0.00 175.10 175.15 2dk5 s LYS 70 N 1.08 3.08 0.73 2.72 2.47 -1.26 -3.87 119.74 124.68 2dk5 s LYS 70 Ca 0.12 -0.11 -0.14 0.00 -1.56 0.00 0.00 55.97 54.28 2dk5 s LYS 70 Cb -0.19 -4.30 0.04 0.00 -1.46 0.00 0.00 37.83 31.91 2dk5 s LYS 70 CO -0.14 -2.30 1.17 -1.54 0.16 0.00 0.00 175.35 172.70 2dk5 s SER 71 N 4.79 4.38 -0.01 1.43 1.04 -1.26 -4.89 113.70 119.19 2dk5 s SER 71 Ca 0.43 2.20 -0.33 0.00 0.48 0.00 0.00 55.95 58.74 2dk5 s SER 71 Cb -0.09 -2.57 -0.11 0.00 0.10 0.00 0.00 66.02 63.35 2dk5 s SER 71 CO 0.15 -2.13 1.88 0.55 0.98 0.00 0.00 173.24 174.66 2dk5 n VAL 72 N -2.80 0.56 -3.79 5.02 3.14 -1.26 -4.91 118.33 114.29 2dk5 n VAL 72 Ca 0.12 -0.10 -0.01 0.00 -2.96 0.00 0.00 64.34 61.39 2dk5 n VAL 72 Cb 0.51 -2.00 0.00 0.00 -1.06 0.00 0.00 33.84 31.30 2dk5 n VAL 72 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2dk5 s ALA 73 N 3.78 -1.93 -0.19 1.55 0.00 -1.26 -5.09 121.76 118.62 2dk5 s ALA 73 Ca 0.89 0.14 -0.15 0.00 0.00 0.00 0.00 51.96 52.85 2dk5 s ALA 73 Cb -0.60 0.63 -0.08 0.00 0.00 0.00 0.00 23.12 23.07 2dk5 s ALA 73 CO 0.46 -1.07 -0.20 0.00 0.00 0.00 0.00 175.76 174.95 2dk5 n ALA 74 N -0.61 0.78 -1.77 0.00 0.00 -1.26 -4.96 120.51 112.69 2dk5 n ALA 74 Ca -0.04 -0.68 -0.36 0.00 0.00 0.00 0.00 53.44 52.35 2dk5 n ALA 74 Cb 0.61 -0.05 0.01 0.00 0.00 0.00 0.00 19.45 20.01 2dk5 n ALA 74 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2dk5 s SER 75 N -6.28 5.76 0.36 0.00 1.04 -1.26 -4.97 113.70 108.35 2dk5 s SER 75 Ca -0.26 2.33 -0.28 0.00 0.48 0.00 0.00 55.95 58.22 2dk5 s SER 75 Cb 0.06 -2.60 -0.10 0.00 0.10 0.00 0.00 66.02 63.48 2dk5 s SER 75 CO 0.40 -1.20 1.35 -0.54 0.98 0.00 0.00 173.24 174.22 2dk5 s LYS 76 N -3.02 4.21 0.32 4.02 -0.14 -1.26 -5.01 119.74 118.86 2dk5 s LYS 76 Ca 0.70 2.29 -0.15 0.00 -1.36 0.00 0.00 55.97 57.45 2dk5 s LYS 76 Cb -0.29 -2.98 0.03 0.00 -1.68 0.00 0.00 37.83 32.91 2dk5 s LYS 76 CO 0.33 -0.34 0.66 0.15 -0.76 0.00 0.00 175.35 175.40 2dk5 s LYS 77 N -1.97 1.93 -0.26 1.68 1.02 -1.26 -5.15 119.74 115.72 2dk5 s LYS 77 Ca 0.52 -1.32 -0.01 0.00 0.02 0.00 0.00 55.97 55.18 2dk5 s LYS 77 Cb -0.41 0.57 0.15 0.00 -0.52 0.00 0.00 37.83 37.61 2dk5 s LYS 77 CO 0.54 -0.87 0.40 0.21 -0.92 0.00 0.00 175.35 174.72 2dk5 s LYS 78 N -3.22 0.39 -0.15 1.68 2.47 -1.26 -4.91 119.74 114.75 2dk5 s LYS 78 Ca 0.18 0.42 -0.07 0.00 -1.56 0.00 0.00 55.97 54.93 2dk5 s LYS 78 Cb -0.04 -0.35 -0.04 0.00 -1.46 0.00 0.00 37.83 35.94 2dk5 s LYS 78 CO 0.11 -0.78 0.12 0.08 0.16 0.00 0.00 175.35 175.04 2dk5 s VAL 79 N 2.57 5.31 -0.10 4.02 1.01 -1.25 -2.37 120.40 129.58 2dk5 s VAL 79 Ca 0.12 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.27 2dk5 s VAL 79 Cb -0.14 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.90 2dk5 s VAL 79 CO -0.21 0.55 -0.20 -0.31 0.00 0.00 0.00 175.10 174.93 2dk5 s TYR 80 N -0.50 2.29 0.27 5.22 2.02 0.25 -0.66 117.35 126.25 2dk5 s TYR 80 Ca 0.12 -0.98 0.03 0.00 -0.37 0.00 0.00 57.07 55.87 2dk5 s TYR 80 Cb -0.12 -1.56 -0.04 0.00 -0.40 0.00 0.00 41.96 39.84 2dk5 s TYR 80 CO 0.02 -0.43 0.18 0.00 -1.57 0.00 0.00 175.55 173.75 2dk5 s MET 81 N 0.55 1.49 0.29 -0.62 0.23 -1.00 -2.11 119.30 118.13 2dk5 s MET 81 Ca -0.15 -1.83 -0.29 0.00 -1.03 0.00 0.00 55.69 52.39 2dk5 s MET 81 Cb -0.17 0.15 -0.13 0.00 -1.53 0.00 0.00 34.83 33.14 2dk5 s MET 81 CO 0.05 -0.48 1.22 1.28 -2.03 0.00 0.00 175.02 175.06 2dk5 n LEU 82 N -0.48 2.74 0.21 0.18 4.77 -1.26 -1.05 117.00 122.12 2dk5 n LEU 82 Ca 0.03 1.18 0.07 0.00 -0.03 0.00 0.00 56.01 57.26 2dk5 n LEU 82 Cb 0.65 -1.39 0.46 0.00 -2.33 0.00 0.00 43.42 40.81 2dk5 n LEU 82 CO 0.33 -0.83 0.78 0.22 -1.33 0.00 0.00 177.39 176.56 2dk5 h TYR 83 N 2.83 0.00 -0.56 -1.77 3.20 -1.01 -2.92 116.97 116.75 2dk5 h TYR 83 Ca -0.44 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.33 2dk5 h TYR 83 Cb 1.30 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.55 2dk5 h TYR 83 CO 0.51 0.29 -0.06 -0.97 -1.64 0.00 0.00 178.16 176.29 2dk5 h ASN 84 N 0.00 1.00 -3.79 -2.11 -0.73 -1.86 -3.44 115.58 104.65 2dk5 h ASN 84 Ca -0.00 -0.31 -0.55 0.00 1.87 0.00 0.00 56.30 57.30 2dk5 h ASN 84 Cb 0.67 -0.27 0.13 0.00 0.27 0.00 0.00 38.32 39.12 2dk5 h ASN 84 CO 0.04 1.09 0.60 0.18 -0.37 0.00 0.00 177.43 178.97 2dk5 n LEU 85 N -4.16 4.69 -4.65 0.34 4.77 -1.10 -4.91 117.00 111.98 2dk5 n LEU 85 Ca 0.02 1.10 -0.40 0.00 -0.03 0.00 0.00 56.01 56.70 2dk5 n LEU 85 Cb 0.38 -1.56 0.02 0.00 -2.33 0.00 0.00 43.42 39.93 2dk5 n LEU 85 CO 0.45 -0.42 0.71 -1.54 -1.33 0.00 0.00 177.39 175.26 2dk5 n SER 86 N -0.10 1.71 0.00 -1.43 3.41 -1.26 -4.93 113.62 111.02 2dk5 n SER 86 Ca 0.06 1.01 0.00 0.00 -0.26 0.00 0.00 58.87 59.68 2dk5 n SER 86 Cb 0.41 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 62.93 2dk5 n SER 86 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dk5 n GLY 87 N 1.05 -1.37 3.59 5.00 0.00 -1.26 -5.10 105.19 107.10 2dk5 n GLY 87 Ca 0.09 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 2dk5 n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dk5 s PRO 88 N -1.33 3.24 -0.17 1.61 0.04 -1.26 -4.92 135.00 132.20 2dk5 s PRO 88 Ca 0.00 1.16 -0.36 0.00 0.04 0.00 0.00 61.00 61.84 2dk5 s PRO 88 Cb 0.00 -4.20 -0.13 0.00 0.04 0.00 0.00 34.50 30.21 2dk5 s PRO 88 CO 0.00 -1.98 1.89 0.43 0.04 0.00 0.00 177.00 177.38 2dk5 n SER 89 N 10.49 3.03 -0.05 6.66 7.64 -1.26 -4.86 113.62 135.27 2dk5 n SER 89 Ca 0.21 0.92 -0.12 0.00 1.01 0.00 0.00 58.87 60.89 2dk5 n SER 89 Cb 0.48 -1.30 -0.11 0.00 -1.01 0.00 0.00 64.21 62.27 2dk5 n SER 89 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2dk5 h SER 90 N 9.18 -0.01 0.00 6.43 0.87 -1.96 -3.53 113.55 124.53 2dk5 h SER 90 Ca -0.46 -0.79 0.00 0.00 -1.23 0.00 0.00 61.79 59.32 2dk5 h SER 90 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 2dk5 h SER 90 CO 0.96 0.84 0.00 0.61 -0.53 0.00 0.00 176.83 178.71