#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 4.44 -0.00 1.61 0.01 -1.26 -4.98 113.70 113.52 2dk5 s SER 2 Ca 0.00 -2.15 -0.25 0.00 1.31 0.00 0.00 55.95 54.87 2dk5 s SER 2 Cb 0.00 -1.38 -0.19 0.00 0.21 0.00 0.00 66.02 64.66 2dk5 s SER 2 CO 0.00 -0.37 1.32 -1.28 0.41 0.00 0.00 173.24 173.32 2dk5 h SER 3 N 7.55 0.06 0.00 2.44 0.87 -2.14 -3.49 113.55 118.85 2dk5 h SER 3 Ca -0.07 -0.45 0.00 0.00 -1.23 0.00 0.00 61.79 60.04 2dk5 h SER 3 Cb 1.00 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 2dk5 h SER 3 CO 0.52 0.50 0.00 0.61 -0.53 0.00 0.00 176.83 177.93 2dk5 n GLY 4 N 0.12 0.76 3.20 5.77 0.00 -1.26 -5.08 105.19 108.69 2dk5 n GLY 4 Ca -0.08 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.28 5.76 -0.12 1.61 0.01 -1.26 -5.06 113.70 113.37 2dk5 s SER 5 Ca 0.00 -2.27 0.01 0.00 1.31 0.00 0.00 55.95 55.00 2dk5 s SER 5 Cb 0.00 -2.00 -0.01 0.00 0.21 0.00 0.00 66.02 64.21 2dk5 s SER 5 CO 0.00 -0.59 -0.15 -0.44 0.41 0.00 0.00 173.24 172.46 2dk5 s SER 6 N 2.10 3.83 0.00 2.44 0.01 -1.26 -4.85 113.70 115.97 2dk5 s SER 6 Ca 0.10 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.00 2dk5 s SER 6 Cb -0.22 -1.49 0.00 0.00 0.21 0.00 0.00 66.02 64.52 2dk5 s SER 6 CO -0.03 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.41 2dk5 n GLY 7 N 3.41 0.46 3.26 3.44 0.00 -1.26 -5.10 105.19 109.40 2dk5 n GLY 7 Ca -0.18 -0.04 -0.44 0.00 0.00 0.00 0.00 46.02 45.35 2dk5 n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dk5 s ASP 8 N 0.00 6.33 -0.30 1.61 1.01 -1.26 -4.97 116.67 119.10 2dk5 s ASP 8 Ca 0.00 -2.73 -0.16 0.00 0.71 0.00 0.00 52.55 50.36 2dk5 s ASP 8 Cb 0.00 -2.11 0.18 0.00 1.01 0.00 0.00 42.92 41.99 2dk5 s ASP 8 CO 0.00 -0.52 1.10 -0.55 0.21 0.00 0.00 175.17 175.42 2dk5 s SER 9 N 1.76 -0.33 -0.02 0.27 0.15 -1.26 -5.17 113.70 109.10 2dk5 s SER 9 Ca 0.18 0.50 -0.01 0.00 0.70 0.00 0.00 55.95 57.31 2dk5 s SER 9 Cb -0.13 1.20 0.01 0.00 -1.71 0.00 0.00 66.02 65.39 2dk5 s SER 9 CO -0.07 -0.08 0.05 -1.10 1.20 0.00 0.00 173.24 173.24 2dk5 s GLN 10 N 1.48 0.05 -0.26 5.44 -0.21 -1.26 -5.13 119.66 119.77 2dk5 s GLN 10 Ca -0.07 0.08 -0.01 0.00 0.02 0.00 0.00 55.36 55.38 2dk5 s GLN 10 Cb -0.03 -0.00 0.08 0.00 1.00 0.00 0.00 33.01 34.05 2dk5 s GLN 10 CO -0.14 -0.03 0.05 -0.80 -2.12 0.00 0.00 175.29 172.26 2dk5 s ASN 11 N 0.15 3.59 -0.17 5.90 -0.87 -1.26 -4.97 114.94 117.31 2dk5 s ASN 11 Ca -0.01 -1.26 -0.02 0.00 -1.57 0.00 0.00 52.86 49.99 2dk5 s ASN 11 Cb -0.02 -0.81 -0.10 0.00 -0.02 0.00 0.00 41.25 40.30 2dk5 s ASN 11 CO -0.00 -0.35 -0.18 0.00 -2.57 0.00 0.00 177.10 174.00 2dk5 n ALA 12 N 4.90 1.72 0.00 0.60 0.00 -1.26 -5.05 120.51 121.41 2dk5 n ALA 12 Ca -0.06 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2dk5 n ALA 12 Cb 0.44 0.17 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2dk5 n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dk5 n GLY 13 N 2.41 -0.27 3.40 0.00 0.00 -1.26 -5.16 105.19 104.31 2dk5 n GLY 13 Ca -0.32 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 2.71 1.07 1.61 -0.14 -1.26 -5.11 119.74 118.62 2dk5 s LYS 14 Ca 0.00 -0.75 -0.22 0.00 -1.36 0.00 0.00 55.97 53.65 2dk5 s LYS 14 Cb 0.00 -2.38 0.00 0.00 -1.68 0.00 0.00 37.83 33.78 2dk5 s LYS 14 CO 0.00 0.47 -0.53 -1.33 -0.76 0.00 0.00 175.35 173.20 2dk5 n MET 15 N 2.74 -1.10 -5.10 1.68 2.81 -1.26 -5.00 117.12 111.90 2dk5 n MET 15 Ca -0.17 -0.31 -0.30 0.00 -1.81 0.00 0.00 57.70 55.10 2dk5 n MET 15 Cb 0.52 -1.44 -0.17 0.00 -0.71 0.00 0.00 33.22 31.42 2dk5 n MET 15 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2dk5 s LYS 16 N -2.94 2.61 0.00 0.03 1.02 -1.26 -5.08 119.74 114.13 2dk5 s LYS 16 Ca 0.48 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.68 2dk5 s LYS 16 Cb -0.03 -2.06 0.00 0.00 -0.52 0.00 0.00 37.83 35.21 2dk5 s LYS 16 CO 0.64 0.21 0.00 0.41 -0.92 0.00 0.00 175.35 175.69 2dk5 n GLY 17 N 3.39 3.11 0.09 -3.33 0.00 -1.26 -5.01 105.19 102.17 2dk5 n GLY 17 Ca -0.19 -1.98 -0.09 0.00 0.00 0.00 0.00 46.02 43.76 2dk5 n GLY 17 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dk5 n SER 18 N 0.00 1.89 -4.54 1.61 7.64 -1.26 -4.98 113.62 113.99 2dk5 n SER 18 Ca 0.00 0.44 -0.38 0.00 1.01 0.00 0.00 58.87 59.93 2dk5 n SER 18 Cb 0.00 -0.80 0.04 0.00 -1.01 0.00 0.00 64.21 62.44 2dk5 n SER 18 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2dk5 n ASP 19 N -4.50 -0.15 -2.63 6.43 8.00 -1.26 -4.93 116.55 117.50 2dk5 n ASP 19 Ca -0.15 0.79 -0.28 0.00 0.71 0.00 0.00 54.79 55.87 2dk5 n ASP 19 Cb 0.46 -1.27 -0.01 0.00 -0.02 0.00 0.00 41.12 40.28 2dk5 n ASP 19 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2dk5 n ASN 20 N 0.01 4.84 -0.14 -2.24 0.23 -1.26 -4.76 115.26 111.95 2dk5 n ASN 20 Ca 0.12 -3.72 -0.29 0.00 -0.53 0.00 0.00 54.58 50.17 2dk5 n ASN 20 Cb 0.47 -0.53 -0.10 0.00 -2.08 0.00 0.00 39.78 37.54 2dk5 n ASN 20 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2dk5 n GLN 21 N -0.42 0.58 0.28 -3.83 3.00 -1.26 -3.62 117.38 112.11 2dk5 n GLN 21 Ca 0.38 0.26 0.18 0.00 -0.01 0.00 0.00 57.00 57.81 2dk5 n GLN 21 Cb 0.57 -1.48 0.80 0.00 0.00 0.00 0.00 30.24 30.13 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 -0.99 0.00 0.06 -1.09 4.81 -1.96 -2.10 114.58 113.30 2dk5 h GLU 22 Ca -0.67 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.25 2dk5 h GLU 22 Cb 1.59 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.94 2dk5 h GLU 22 CO -0.41 0.00 -1.68 1.57 -0.73 0.00 0.00 179.01 177.77 2dk5 h LYS 23 N 0.00 0.13 0.00 1.92 2.10 -1.89 -3.06 116.57 115.77 2dk5 h LYS 23 Ca 0.00 -0.22 -0.09 0.00 -2.00 0.00 0.00 60.65 58.34 2dk5 h LYS 23 Cb 0.38 0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.78 2dk5 h LYS 23 CO 0.00 0.86 -0.43 1.25 -2.00 0.00 0.00 179.45 179.13 2dk5 h LEU 24 N 0.03 0.00 0.20 7.07 5.85 -1.54 -3.02 115.31 123.90 2dk5 h LEU 24 Ca -0.29 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.15 2dk5 h LEU 24 Cb 2.00 0.00 0.03 0.00 0.37 0.00 0.00 40.66 43.06 2dk5 h LEU 24 CO 0.11 0.43 -1.30 0.58 -0.34 0.00 0.00 178.44 177.91 2dk5 h VAL 25 N 0.00 1.28 0.00 1.05 2.07 -1.51 -3.15 116.25 115.99 2dk5 h VAL 25 Ca -0.00 -2.59 -0.01 0.00 0.82 0.00 0.00 66.70 64.92 2dk5 h VAL 25 Cb 1.04 3.02 -0.00 0.00 -1.52 0.00 0.00 31.29 33.83 2dk5 h VAL 25 CO 0.06 0.78 -0.05 0.22 0.02 0.00 0.00 177.57 178.59 2dk5 h TYR 26 N -0.08 0.00 0.00 1.57 3.20 -1.56 -1.12 116.97 118.99 2dk5 h TYR 26 Ca -0.24 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.50 2dk5 h TYR 26 Cb 1.95 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 40.20 2dk5 h TYR 26 CO 0.15 0.05 -0.85 0.37 -1.64 0.00 0.00 178.16 176.24 2dk5 h GLN 27 N 0.00 0.00 0.00 1.82 5.75 -1.59 -3.15 115.11 117.94 2dk5 h GLN 27 Ca -0.00 0.00 -0.22 0.00 -0.15 0.00 0.00 58.65 58.28 2dk5 h GLN 27 Cb 0.19 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.71 2dk5 h GLN 27 CO 0.01 0.43 -1.09 0.82 -2.65 0.00 0.00 178.83 176.34 2dk5 h ILE 28 N 0.00 1.57 -0.04 2.39 2.04 -1.19 -3.20 117.51 119.08 2dk5 h ILE 28 Ca -0.06 -3.29 -0.03 0.00 1.00 0.00 0.00 64.86 62.47 2dk5 h ILE 28 Cb 1.46 2.77 0.00 0.00 -0.74 0.00 0.00 36.82 40.31 2dk5 h ILE 28 CO 0.06 0.89 -0.10 0.40 0.00 0.00 0.00 178.15 179.40 2dk5 h ILE 29 N 0.00 1.45 0.00 -0.67 2.04 -1.44 -3.10 117.51 115.80 2dk5 h ILE 29 Ca -0.05 -1.50 -0.00 0.00 1.00 0.00 0.00 64.86 64.31 2dk5 h ILE 29 Cb 1.80 2.35 -0.00 0.00 -0.74 0.00 0.00 36.82 40.23 2dk5 h ILE 29 CO 0.12 0.41 -0.01 1.05 0.00 0.00 0.00 178.15 179.72 2dk5 h GLU 30 N -0.41 0.00 -0.32 2.37 -0.00 -1.67 -1.58 114.58 112.97 2dk5 h GLU 30 Ca -0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 59.36 59.20 2dk5 h GLU 30 Cb 0.71 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.46 2dk5 h GLU 30 CO 0.02 0.01 -0.42 -0.44 -0.00 0.00 0.00 179.01 178.18 2dk5 h ASP 31 N 0.00 0.84 -0.75 3.06 3.32 -1.53 -3.00 116.42 118.35 2dk5 h ASP 31 Ca -0.00 -0.39 0.16 0.00 0.02 0.00 0.00 57.03 56.81 2dk5 h ASP 31 Cb 0.04 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.30 2dk5 h ASP 31 CO 0.00 1.15 0.51 0.00 -1.72 0.00 0.00 179.24 179.17 2dk5 h ALA 32 N 0.89 2.17 0.00 3.45 0.00 -1.25 -3.48 119.26 121.04 2dk5 h ALA 32 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2dk5 h ALA 32 Cb 0.98 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2dk5 h ALA 32 CO 0.09 -0.37 0.00 0.41 0.00 0.00 0.00 179.25 179.38 2dk5 n GLY 33 N -1.53 -2.28 0.42 0.00 0.00 -1.14 -4.15 105.19 96.51 2dk5 n GLY 33 Ca 0.15 -1.71 0.23 0.00 0.00 0.00 0.00 46.02 44.69 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 0.00 0.40 -0.47 1.61 -1.07 -1.92 0.49 115.58 114.62 2dk5 h ASN 34 Ca 0.00 0.07 0.10 0.00 0.07 0.00 0.00 56.30 56.54 2dk5 h ASN 34 Cb 0.00 0.01 -0.02 0.00 -2.07 0.00 0.00 38.32 36.23 2dk5 h ASN 34 CO 0.00 0.09 0.32 0.11 0.07 0.00 0.00 177.43 178.02 2dk5 h LYS 35 N 0.36 0.17 0.00 4.14 1.57 -1.98 -3.42 116.57 117.40 2dk5 h LYS 35 Ca 0.58 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.35 2dk5 h LYS 35 Cb 1.54 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.81 2dk5 h LYS 35 CO -0.26 0.11 0.00 0.41 -0.57 0.00 0.00 179.45 179.14 2dk5 n GLY 36 N -1.57 -2.25 3.17 3.86 0.00 0.17 -5.00 105.19 103.57 2dk5 n GLY 36 Ca 0.08 -1.57 -0.09 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.36 0.14 0.11 -0.61 2.07 -1.21 -4.67 121.20 116.67 2dk5 s ILE 37 Ca 0.00 -1.16 -0.19 0.00 -1.41 0.00 0.00 60.65 57.89 2dk5 s ILE 37 Cb 0.00 -1.18 -0.07 0.00 0.13 0.00 0.00 42.46 41.34 2dk5 s ILE 37 CO 0.00 -0.64 0.60 0.86 -1.91 0.00 0.00 174.94 173.85 2dk5 s TRP 38 N -3.34 3.78 0.19 3.50 -0.00 -1.26 -1.00 118.94 120.80 2dk5 s TRP 38 Ca 0.01 1.30 -0.25 0.00 -0.00 0.00 0.00 56.10 57.16 2dk5 s TRP 38 Cb 0.03 -2.52 0.07 0.00 -0.00 0.00 0.00 33.47 31.05 2dk5 s TRP 38 CO -0.08 0.54 1.55 1.03 -0.00 0.00 0.00 176.95 179.99 2dk5 h SER 39 N 4.27 -1.71 0.16 5.86 0.87 -1.97 -1.46 113.55 119.58 2dk5 h SER 39 Ca -0.49 0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 2dk5 h SER 39 Cb 1.21 0.80 -0.03 0.00 -0.44 0.00 0.00 62.40 63.94 2dk5 h SER 39 CO 0.64 -0.29 -0.41 0.03 -0.53 0.00 0.00 176.83 176.28 2dk5 h ARG 40 N -0.07 -0.61 -0.86 2.24 -0.00 -1.93 -1.30 114.38 111.84 2dk5 h ARG 40 Ca 0.23 0.04 0.32 0.00 -0.50 0.00 0.00 59.98 60.08 2dk5 h ARG 40 Cb 0.53 0.14 -0.12 0.00 0.00 0.00 0.00 29.97 30.52 2dk5 h ARG 40 CO -0.88 -0.41 0.52 -3.47 0.00 0.00 0.00 179.97 175.73 2dk5 n ASP 41 N -4.81 0.20 0.12 7.04 -0.08 -0.58 0.16 116.55 118.60 2dk5 n ASP 41 Ca -0.07 1.10 -0.14 0.00 -1.51 0.00 0.00 54.79 54.17 2dk5 n ASP 41 Cb 0.33 -0.54 -0.08 0.00 2.34 0.00 0.00 41.12 43.17 2dk5 n ASP 41 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2dk5 h VAL 42 N 0.00 0.87 -0.71 5.18 2.07 -0.83 -3.04 116.25 119.80 2dk5 h VAL 42 Ca 0.63 -0.32 0.07 0.00 0.82 0.00 0.00 66.70 67.90 2dk5 h VAL 42 Cb 1.84 1.07 -0.09 0.00 -1.52 0.00 0.00 31.29 32.59 2dk5 h VAL 42 CO -0.45 0.07 -0.40 0.54 0.02 0.00 0.00 177.57 177.36 2dk5 n ARG 43 N -5.13 -0.29 0.03 1.57 1.74 0.43 0.54 116.66 115.55 2dk5 n ARG 43 Ca -0.09 1.08 -0.10 0.00 -0.77 0.00 0.00 57.85 57.97 2dk5 n ARG 43 Cb 0.18 -1.59 -0.04 0.00 -1.02 0.00 0.00 32.46 29.99 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 -0.34 0.35 -1.55 0.05 -1.58 1.44 116.97 115.33 2dk5 h TYR 44 Ca 0.14 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.92 2dk5 h TYR 44 Cb 0.32 0.16 -0.02 0.00 1.01 0.00 0.00 36.73 38.20 2dk5 h TYR 44 CO -0.72 -0.20 -0.35 0.87 -1.05 0.00 0.00 178.16 176.72 2dk5 h LYS 45 N -0.19 -0.67 0.00 4.88 1.79 0.21 -1.56 116.57 121.03 2dk5 h LYS 45 Ca 0.07 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 2dk5 h LYS 45 Cb 0.29 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 2dk5 h LYS 45 CO -0.18 -0.45 0.00 -1.13 -1.08 0.00 0.00 179.45 176.61 2dk5 n SER 46 N -4.51 0.02 -2.10 0.86 3.41 0.14 -4.84 113.62 106.60 2dk5 n SER 46 Ca -0.08 0.51 -0.17 0.00 -0.26 0.00 0.00 58.87 58.86 2dk5 n SER 46 Cb 0.32 -0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 63.73 2dk5 n SER 46 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2dk5 n ASN 47 N -1.52 -4.81 -4.72 4.04 5.15 0.48 -4.96 115.26 108.93 2dk5 n ASN 47 Ca 0.03 0.20 -0.25 0.00 -0.60 0.00 0.00 54.58 53.96 2dk5 n ASN 47 Cb 0.15 -4.13 -0.07 0.00 -0.53 0.00 0.00 39.78 35.20 2dk5 n ASN 47 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2dk5 s LEU 48 N -5.30 3.48 0.71 1.20 1.43 -0.69 -4.98 118.68 114.53 2dk5 s LEU 48 Ca 0.00 -0.37 -0.13 0.00 -1.03 0.00 0.00 54.13 52.60 2dk5 s LEU 48 Cb 0.00 -2.07 0.03 0.00 0.03 0.00 0.00 46.19 44.17 2dk5 s LEU 48 CO 0.00 0.04 1.10 -2.16 0.23 0.00 0.00 176.35 175.56 2dk5 s PRO 49 N -3.29 2.54 0.24 1.29 0.04 -1.26 -4.55 135.00 130.01 2dk5 s PRO 49 Ca 0.30 1.29 -0.06 0.00 0.04 0.00 0.00 61.00 62.56 2dk5 s PRO 49 Cb -0.09 -1.92 0.43 0.00 0.04 0.00 0.00 34.50 32.96 2dk5 s PRO 49 CO 0.21 -1.44 1.67 1.25 0.04 0.00 0.00 177.00 178.73 2dk5 h LEU 50 N -0.52 -0.12 -2.36 -3.56 7.12 -1.98 0.72 115.31 114.61 2dk5 h LEU 50 Ca -0.45 0.16 0.03 0.00 0.13 0.00 0.00 57.88 57.75 2dk5 h LEU 50 Cb 1.24 0.24 -0.00 0.00 -0.53 0.00 0.00 40.66 41.61 2dk5 h LEU 50 CO 0.53 -0.09 0.16 0.00 -0.13 0.00 0.00 178.44 178.91 2dk5 h THR 51 N 0.20 0.33 0.13 1.05 1.03 -1.99 0.15 112.91 113.81 2dk5 h THR 51 Ca 0.40 0.00 -0.33 0.00 -0.01 0.00 0.00 66.41 66.47 2dk5 h THR 51 Cb 0.69 0.86 -0.01 0.00 -1.07 0.00 0.00 68.15 68.62 2dk5 h THR 51 CO -0.55 0.00 -1.73 -0.33 -0.01 0.00 0.00 175.52 172.90 2dk5 h GLU 52 N 0.00 0.27 -0.01 0.00 4.39 0.03 -3.18 114.58 116.09 2dk5 h GLU 52 Ca 0.05 -0.47 -0.09 0.00 0.34 0.00 0.00 59.36 59.19 2dk5 h GLU 52 Cb 0.37 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 2dk5 h GLU 52 CO -0.00 1.22 -0.41 0.82 -1.16 0.00 0.00 179.01 179.48 2dk5 h ILE 53 N -0.10 1.30 0.13 3.13 5.03 -0.15 0.34 117.51 127.20 2dk5 h ILE 53 Ca -0.37 -1.43 -0.01 0.00 -0.12 0.00 0.00 64.86 62.93 2dk5 h ILE 53 Cb 1.93 1.76 0.00 0.00 -3.03 0.00 0.00 36.82 37.48 2dk5 h ILE 53 CO 0.08 0.41 -0.06 0.78 -0.68 0.00 0.00 178.15 178.68 2dk5 h ASN 54 N 0.02 -0.15 -0.31 1.72 -0.26 -0.88 0.29 115.58 116.01 2dk5 h ASN 54 Ca -0.00 -0.40 -0.09 0.00 -0.56 0.00 0.00 56.30 55.25 2dk5 h ASN 54 Cb 0.74 0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 38.02 2dk5 h ASN 54 CO 0.05 0.40 -0.11 0.07 -1.06 0.00 0.00 177.43 176.78 2dk5 h LYS 55 N -0.78 0.73 0.22 0.81 2.10 -1.55 -2.40 116.57 115.70 2dk5 h LYS 55 Ca -0.02 -0.23 -0.01 0.00 -2.00 0.00 0.00 60.65 58.39 2dk5 h LYS 55 Cb 0.54 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 2dk5 h LYS 55 CO 0.03 0.81 -0.11 0.82 -2.00 0.00 0.00 179.45 179.00 2dk5 h ILE 56 N 0.66 0.77 -0.91 0.07 2.04 -0.99 -2.05 117.51 117.11 2dk5 h ILE 56 Ca 0.11 -0.89 0.19 0.00 1.00 0.00 0.00 64.86 65.27 2dk5 h ILE 56 Cb 0.57 1.22 -0.11 0.00 -0.74 0.00 0.00 36.82 37.76 2dk5 h ILE 56 CO 0.04 0.17 0.48 -0.07 0.00 0.00 0.00 178.15 178.77 2dk5 h LEU 57 N -0.81 0.55 0.70 1.44 3.38 -0.94 -2.42 115.31 117.20 2dk5 h LEU 57 Ca -0.03 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2dk5 h LEU 57 Cb 0.51 0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.30 2dk5 h LEU 57 CO 0.05 0.16 -0.34 0.50 0.09 0.00 0.00 178.44 178.91 2dk5 h LYS 58 N 0.59 -0.91 -0.76 1.13 3.64 -1.45 -3.01 116.57 115.81 2dk5 h LYS 58 Ca 0.53 0.06 0.15 0.00 -1.27 0.00 0.00 60.65 60.12 2dk5 h LYS 58 Cb 0.87 0.21 -0.14 0.00 -0.41 0.00 0.00 32.23 32.75 2dk5 h LYS 58 CO -0.42 -0.60 -0.20 0.09 -2.27 0.00 0.00 179.45 176.04 2dk5 n ASN 59 N -5.27 -0.30 -0.10 4.20 3.02 -0.77 0.16 115.26 116.20 2dk5 n ASN 59 Ca -0.12 1.31 -0.06 0.00 -0.03 0.00 0.00 54.58 55.68 2dk5 n ASN 59 Cb 0.37 -0.39 0.02 0.00 -0.61 0.00 0.00 39.78 39.17 2dk5 n ASN 59 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2dk5 h LEU 60 N 0.00 0.13 -1.53 3.41 3.38 -1.47 0.40 115.31 119.63 2dk5 h LEU 60 Ca 0.35 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.36 2dk5 h LEU 60 Cb 0.54 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2dk5 h LEU 60 CO -0.78 0.11 0.17 -0.33 0.09 0.00 0.00 178.44 177.70 2dk5 h GLU 61 N 0.27 0.00 0.00 1.13 5.08 0.17 0.35 114.58 121.58 2dk5 h GLU 61 Ca 0.16 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.35 2dk5 h GLU 61 Cb 0.14 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2dk5 h GLU 61 CO -0.17 0.00 -1.49 0.45 -1.00 0.00 0.00 179.01 176.80 2dk5 n SER 62 N -2.41 0.77 -0.96 1.42 2.88 0.10 -3.87 113.62 111.56 2dk5 n SER 62 Ca -0.02 0.34 0.06 0.00 -1.33 0.00 0.00 58.87 57.92 2dk5 n SER 62 Cb 0.21 0.29 0.20 0.00 -0.75 0.00 0.00 64.21 64.16 2dk5 n SER 62 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2dk5 n LYS 63 N -2.85 2.40 -2.10 -1.46 5.02 0.12 -4.89 118.16 114.40 2dk5 n LYS 63 Ca -0.11 -1.63 -0.20 0.00 -2.02 0.00 0.00 58.31 54.35 2dk5 n LYS 63 Cb 0.84 -1.53 -0.04 0.00 -0.02 0.00 0.00 35.03 34.29 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 0.63 -1.62 -0.00 1.97 5.02 -1.05 -4.85 118.16 118.25 2dk5 n LYS 64 Ca 0.15 1.07 -0.12 0.00 -2.02 0.00 0.00 58.31 57.39 2dk5 n LYS 64 Cb 0.50 -5.63 -0.14 0.00 -0.02 0.00 0.00 35.03 29.74 2dk5 n LYS 64 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2dk5 h LEU 65 N 0.00 0.12 0.00 -0.35 3.38 -1.77 -3.42 115.31 113.27 2dk5 h LEU 65 Ca -0.46 -0.25 -0.20 0.00 0.09 0.00 0.00 57.88 57.07 2dk5 h LEU 65 Cb 1.35 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 42.01 2dk5 h LEU 65 CO 0.59 1.22 -0.15 2.30 0.09 0.00 0.00 178.44 182.49 2dk5 n ILE 66 N -3.19 0.00 -3.44 1.22 -5.35 -1.25 -1.33 119.36 106.02 2dk5 n ILE 66 Ca -0.19 -1.12 -0.13 0.00 -0.27 0.00 0.00 62.75 61.04 2dk5 n ILE 66 Cb 1.04 0.63 -0.03 0.00 -1.74 0.00 0.00 39.64 39.55 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 -2.55 1.20 -0.21 6.28 -2.85 -0.61 -4.35 119.74 116.65 2dk5 s LYS 67 Ca 0.18 -0.33 -0.17 0.00 -1.00 0.00 0.00 55.97 54.65 2dk5 s LYS 67 Cb 0.00 0.56 -0.03 0.00 -2.06 0.00 0.00 37.83 36.29 2dk5 s LYS 67 CO 0.13 -0.50 0.47 0.00 0.10 0.00 0.00 175.35 175.55 2dk5 s ALA 68 N -3.25 3.56 0.07 0.59 0.00 -1.26 -2.52 121.76 118.93 2dk5 s ALA 68 Ca -0.01 -0.50 0.07 0.00 0.00 0.00 0.00 51.96 51.53 2dk5 s ALA 68 Cb -0.01 -2.77 -0.03 0.00 0.00 0.00 0.00 23.12 20.32 2dk5 s ALA 68 CO -0.09 -0.46 -0.19 0.08 0.00 0.00 0.00 175.76 175.10 2dk5 s VAL 69 N 1.67 1.51 -0.41 0.00 1.01 0.68 -4.94 120.40 119.92 2dk5 s VAL 69 Ca 0.22 -1.29 0.04 0.00 0.00 0.00 0.00 61.98 60.95 2dk5 s VAL 69 Cb -0.15 -1.36 0.11 0.00 0.00 0.00 0.00 36.38 34.98 2dk5 s VAL 69 CO 0.09 0.03 0.13 -0.75 0.00 0.00 0.00 175.10 174.60 2dk5 s LYS 70 N -1.48 1.67 0.53 2.72 2.36 -1.26 -1.19 119.74 123.08 2dk5 s LYS 70 Ca 0.05 -2.16 -0.12 0.00 -2.55 0.00 0.00 55.97 51.19 2dk5 s LYS 70 Cb -0.09 -3.25 -0.06 0.00 -1.05 0.00 0.00 37.83 33.38 2dk5 s LYS 70 CO 0.03 -1.00 0.94 0.45 1.55 0.00 0.00 175.35 177.31 2dk5 s SER 71 N 0.45 6.41 -0.12 1.43 0.15 -1.26 -4.93 113.70 115.82 2dk5 s SER 71 Ca 0.13 1.35 -0.31 0.00 0.70 0.00 0.00 55.95 57.82 2dk5 s SER 71 Cb -0.22 -2.43 -0.15 0.00 -1.71 0.00 0.00 66.02 61.52 2dk5 s SER 71 CO -0.05 -0.66 0.93 0.55 1.20 0.00 0.00 173.24 175.20 2dk5 n VAL 72 N -2.08 0.00 -3.64 4.45 3.14 -1.26 -4.93 118.33 114.02 2dk5 n VAL 72 Ca 0.05 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.36 2dk5 n VAL 72 Cb 0.54 -0.12 -0.07 0.00 -1.06 0.00 0.00 33.84 33.13 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 0.75 -2.09 -0.21 1.55 0.00 -1.26 -5.03 121.76 115.47 2dk5 s ALA 73 Ca 0.71 1.83 -0.00 0.00 0.00 0.00 0.00 51.96 54.50 2dk5 s ALA 73 Cb -1.00 -1.58 0.15 0.00 0.00 0.00 0.00 23.12 20.69 2dk5 s ALA 73 CO 0.49 -0.20 1.95 0.00 0.00 0.00 0.00 175.76 178.00 2dk5 n ALA 74 N 2.11 4.66 -3.58 0.00 0.00 -1.26 -4.82 120.51 117.62 2dk5 n ALA 74 Ca -0.12 -1.12 -0.08 0.00 0.00 0.00 0.00 53.44 52.12 2dk5 n ALA 74 Cb 0.56 -1.25 -0.04 0.00 0.00 0.00 0.00 19.45 18.73 2dk5 n ALA 74 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2dk5 s SER 75 N 0.71 -0.28 -0.00 0.00 0.01 -1.26 -5.13 113.70 107.74 2dk5 s SER 75 Ca 0.21 0.23 -0.30 0.00 1.31 0.00 0.00 55.95 57.39 2dk5 s SER 75 Cb 0.17 0.24 -0.06 0.00 0.21 0.00 0.00 66.02 66.58 2dk5 s SER 75 CO 0.00 -0.31 1.52 -0.54 0.41 0.00 0.00 173.24 174.32 2dk5 s LYS 76 N -1.57 4.23 0.30 12.44 -0.14 -1.26 -4.98 119.74 128.76 2dk5 s LYS 76 Ca 0.03 2.10 -0.10 0.00 -1.36 0.00 0.00 55.97 56.64 2dk5 s LYS 76 Cb -0.01 -3.69 0.01 0.00 -1.68 0.00 0.00 37.83 32.46 2dk5 s LYS 76 CO -0.02 -0.69 0.52 0.15 -0.76 0.00 0.00 175.35 174.55 2dk5 s LYS 77 N 2.90 1.76 -0.13 1.68 1.02 -1.26 -5.17 119.74 120.55 2dk5 s LYS 77 Ca 0.68 -1.43 -0.05 0.00 0.02 0.00 0.00 55.97 55.19 2dk5 s LYS 77 Cb -0.34 0.49 0.06 0.00 -0.52 0.00 0.00 37.83 37.52 2dk5 s LYS 77 CO 0.28 -0.75 0.27 0.21 -0.92 0.00 0.00 175.35 174.44 2dk5 s LYS 78 N -3.48 0.16 -0.13 1.68 2.20 -1.26 -4.82 119.74 114.09 2dk5 s LYS 78 Ca 0.24 0.74 -0.03 0.00 -0.36 0.00 0.00 55.97 56.56 2dk5 s LYS 78 Cb -0.01 -0.03 -0.03 0.00 -1.51 0.00 0.00 37.83 36.25 2dk5 s LYS 78 CO 0.13 -0.27 -0.02 0.08 -0.36 0.00 0.00 175.35 174.90 2dk5 s VAL 79 N 2.32 4.07 -0.30 4.02 1.01 -0.34 -3.52 120.40 127.65 2dk5 s VAL 79 Ca 0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.61 2dk5 s VAL 79 Cb -0.12 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.53 2dk5 s VAL 79 CO -0.09 0.53 0.07 -0.31 0.00 0.00 0.00 175.10 175.30 2dk5 s TYR 80 N -0.13 3.18 0.41 5.22 2.02 -0.17 -0.23 117.35 127.64 2dk5 s TYR 80 Ca 0.03 -1.23 0.03 0.00 -0.37 0.00 0.00 57.07 55.54 2dk5 s TYR 80 Cb -0.13 -2.23 -0.03 0.00 -0.40 0.00 0.00 41.96 39.17 2dk5 s TYR 80 CO 0.02 -0.65 0.08 0.00 -1.57 0.00 0.00 175.55 173.43 2dk5 s MET 81 N 1.44 1.93 0.32 -0.62 0.23 -1.05 -3.33 119.30 118.21 2dk5 s MET 81 Ca 0.01 -2.17 -0.29 0.00 -1.03 0.00 0.00 55.69 52.21 2dk5 s MET 81 Cb -0.18 -0.90 -0.12 0.00 -1.53 0.00 0.00 34.83 32.10 2dk5 s MET 81 CO 0.02 -0.38 1.39 1.28 -2.03 0.00 0.00 175.02 175.30 2dk5 n LEU 82 N -0.94 3.73 0.17 0.18 4.77 -1.26 -1.57 117.00 122.08 2dk5 n LEU 82 Ca -0.08 1.19 0.02 0.00 -0.03 0.00 0.00 56.01 57.11 2dk5 n LEU 82 Cb 0.66 -1.51 0.27 0.00 -2.33 0.00 0.00 43.42 40.51 2dk5 n LEU 82 CO 0.38 -0.30 0.61 0.22 -1.33 0.00 0.00 177.39 176.96 2dk5 h TYR 83 N 3.33 0.00 -0.92 -1.77 3.20 -1.42 -3.07 116.97 116.32 2dk5 h TYR 83 Ca -0.47 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.39 2dk5 h TYR 83 Cb 1.27 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.49 2dk5 h TYR 83 CO 0.53 0.48 0.53 -0.97 -1.64 0.00 0.00 178.16 177.10 2dk5 h ASN 84 N 0.00 1.13 -3.07 -2.11 -1.24 -1.83 -3.44 115.58 105.01 2dk5 h ASN 84 Ca -0.00 -0.09 -0.52 0.00 0.71 0.00 0.00 56.30 56.40 2dk5 h ASN 84 Cb 0.94 -0.29 0.22 0.00 0.73 0.00 0.00 38.32 39.92 2dk5 h ASN 84 CO 0.06 0.89 -0.80 0.18 -1.29 0.00 0.00 177.43 176.47 2dk5 n LEU 85 N -4.35 -1.10 -2.20 0.34 4.77 -1.16 -4.93 117.00 108.39 2dk5 n LEU 85 Ca 0.10 0.23 -0.28 0.00 -0.03 0.00 0.00 56.01 56.04 2dk5 n LEU 85 Cb 0.08 -1.12 0.03 0.00 -2.33 0.00 0.00 43.42 40.08 2dk5 n LEU 85 CO 0.38 -3.73 0.54 -1.20 -1.33 0.00 0.00 177.39 172.06 2dk5 n SER 86 N -0.92 5.67 -0.12 -1.43 7.64 -1.26 -5.05 113.62 118.15 2dk5 n SER 86 Ca 0.05 -3.76 0.02 0.00 1.01 0.00 0.00 58.87 56.18 2dk5 n SER 86 Cb 0.56 -0.54 -0.01 0.00 -1.01 0.00 0.00 64.21 63.21 2dk5 n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dk5 n GLY 87 N -0.72 -2.54 3.65 0.23 0.00 -1.26 -4.98 105.19 99.56 2dk5 n GLY 87 Ca 0.48 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.90 -0.12 0.05 1.61 0.04 -1.26 -5.06 135.00 127.35 2dk5 s PRO 88 Ca 0.00 0.33 0.04 0.00 0.04 0.00 0.00 61.00 61.41 2dk5 s PRO 88 Cb 0.00 -1.69 -0.04 0.00 0.04 0.00 0.00 34.50 32.81 2dk5 s PRO 88 CO 0.00 -3.06 -0.02 -1.12 0.04 0.00 0.00 177.00 172.84 2dk5 s SER 89 N -3.57 4.93 0.07 6.66 0.01 -1.26 -5.07 113.70 115.48 2dk5 s SER 89 Ca 0.67 -0.14 -0.30 0.00 1.31 0.00 0.00 55.95 57.49 2dk5 s SER 89 Cb -0.16 -1.19 -0.09 0.00 0.21 0.00 0.00 66.02 64.78 2dk5 s SER 89 CO 0.57 0.23 1.86 -0.55 0.41 0.00 0.00 173.24 175.76 2dk5 s SER 90 N -1.91 6.46 0.00 2.44 0.15 -1.26 -5.14 113.70 114.44 2dk5 s SER 90 Ca 0.22 2.67 0.00 0.00 0.70 0.00 0.00 55.95 59.54 2dk5 s SER 90 Cb -0.11 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 2dk5 s SER 90 CO 0.14 -1.01 0.00 0.61 1.20 0.00 0.00 173.24 174.18