#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 0.28 -0.27 1.61 1.04 -1.26 -5.16 113.70 109.94 2dk5 s SER 2 Ca 0.00 -0.87 -0.14 0.00 0.48 0.00 0.00 55.95 55.42 2dk5 s SER 2 Cb 0.00 0.29 0.09 0.00 0.10 0.00 0.00 66.02 66.49 2dk5 s SER 2 CO 0.00 -0.69 0.64 -0.55 0.98 0.00 0.00 173.24 173.62 2dk5 s SER 3 N -2.92 -0.92 -0.13 7.02 0.15 -1.26 -5.17 113.70 110.48 2dk5 s SER 3 Ca 0.09 1.45 -0.22 0.00 0.70 0.00 0.00 55.95 57.96 2dk5 s SER 3 Cb 0.06 1.49 0.05 0.00 -1.71 0.00 0.00 66.02 65.92 2dk5 s SER 3 CO -0.08 -0.23 0.56 -0.83 1.20 0.00 0.00 173.24 173.86 2dk5 s GLY 4 N 1.87 -0.43 -0.11 9.45 0.00 -1.26 -5.16 107.32 111.69 2dk5 s GLY 4 Ca -0.09 1.31 0.03 0.00 0.00 0.00 0.00 44.72 45.97 2dk5 s GLY 4 CO -0.19 1.05 -0.23 -0.56 0.00 0.00 0.00 173.10 173.17 2dk5 s SER 5 N -0.42 3.04 -0.22 1.64 0.01 -1.26 -5.02 113.70 111.46 2dk5 s SER 5 Ca -0.06 -0.56 -0.18 0.00 1.31 0.00 0.00 55.95 56.45 2dk5 s SER 5 Cb -0.03 -1.40 -0.16 0.00 0.21 0.00 0.00 66.02 64.65 2dk5 s SER 5 CO 0.04 0.12 0.01 -1.20 0.41 0.00 0.00 173.24 172.62 2dk5 n SER 6 N 3.76 1.88 0.00 2.44 7.64 -1.26 -5.05 113.62 123.03 2dk5 n SER 6 Ca -0.19 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2dk5 n SER 6 Cb 0.52 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 2dk5 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dk5 n GLY 7 N 1.40 1.68 0.12 0.23 0.00 -1.26 -5.08 105.19 102.28 2dk5 n GLY 7 Ca -0.36 0.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 2dk5 n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dk5 n ASP 8 N 0.00 1.93 -3.78 1.61 8.00 -1.26 -5.01 116.55 118.05 2dk5 n ASP 8 Ca 0.00 0.37 -0.27 0.00 0.71 0.00 0.00 54.79 55.60 2dk5 n ASP 8 Cb 0.00 -0.83 0.04 0.00 -0.02 0.00 0.00 41.12 40.31 2dk5 n ASP 8 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2dk5 n SER 9 N -4.34 -4.46 -4.66 -2.24 7.64 -1.26 -4.88 113.62 99.42 2dk5 n SER 9 Ca -0.41 -0.72 -0.43 0.00 1.01 0.00 0.00 58.87 58.32 2dk5 n SER 9 Cb 0.76 -4.26 -0.00 0.00 -1.01 0.00 0.00 64.21 59.69 2dk5 n SER 9 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2dk5 n GLN 10 N -4.67 1.82 -1.77 1.43 -0.06 -1.26 -4.97 117.38 107.90 2dk5 n GLN 10 Ca -0.04 0.64 -0.30 0.00 -2.00 0.00 0.00 57.00 55.30 2dk5 n GLN 10 Cb 0.57 -2.18 0.07 0.00 -4.06 0.00 0.00 30.24 24.64 2dk5 n GLN 10 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2dk5 s ASN 11 N -0.45 4.90 -0.13 1.69 2.20 -1.26 -5.02 114.94 116.88 2dk5 s ASN 11 Ca 0.58 1.12 -0.15 0.00 -0.94 0.00 0.00 52.86 53.47 2dk5 s ASN 11 Cb -0.59 -1.84 -0.25 0.00 -2.00 0.00 0.00 41.25 36.56 2dk5 s ASN 11 CO 0.61 -1.69 0.45 0.00 -2.94 0.00 0.00 177.10 173.53 2dk5 h ALA 12 N -0.90 0.25 -2.16 3.54 0.00 -2.05 -3.41 119.26 114.53 2dk5 h ALA 12 Ca -0.46 -1.18 -0.74 0.00 0.00 0.00 0.00 54.91 52.53 2dk5 h ALA 12 Cb 1.27 0.58 -0.21 0.00 0.00 0.00 0.00 17.79 19.43 2dk5 h ALA 12 CO 0.63 0.91 0.77 0.20 0.00 0.00 0.00 179.25 181.76 2dk5 s GLY 13 N -5.09 2.45 -0.16 0.00 0.00 -1.26 -4.99 107.32 98.28 2dk5 s GLY 13 Ca -0.22 -3.25 -0.00 0.00 0.00 0.00 0.00 44.72 41.25 2dk5 s GLY 13 CO 0.73 1.75 -0.14 -1.59 0.00 0.00 0.00 173.10 173.85 2dk5 s LYS 14 N 1.14 3.25 0.96 2.90 -2.85 -1.26 -5.12 119.74 118.76 2dk5 s LYS 14 Ca 0.32 -0.73 -0.16 0.00 -1.00 0.00 0.00 55.97 54.40 2dk5 s LYS 14 Cb -0.06 -2.66 0.20 0.00 -2.06 0.00 0.00 37.83 33.25 2dk5 s LYS 14 CO -0.06 0.03 1.32 1.41 0.10 0.00 0.00 175.35 178.14 2dk5 s MET 15 N 0.81 0.63 -0.15 1.78 1.75 -1.26 -5.02 119.30 117.84 2dk5 s MET 15 Ca -0.05 -0.39 -0.23 0.00 -1.25 0.00 0.00 55.69 53.77 2dk5 s MET 15 Cb -0.15 -1.84 -0.03 0.00 2.84 0.00 0.00 34.83 35.65 2dk5 s MET 15 CO 0.00 -2.42 0.72 0.15 -0.65 0.00 0.00 175.02 172.82 2dk5 s LYS 16 N -5.88 4.31 0.00 4.11 1.02 -1.26 -4.93 119.74 117.12 2dk5 s LYS 16 Ca 0.74 0.83 0.00 0.00 0.02 0.00 0.00 55.97 57.56 2dk5 s LYS 16 Cb -0.04 -3.53 0.00 0.00 -0.52 0.00 0.00 37.83 33.73 2dk5 s LYS 16 CO 0.53 -0.17 0.00 0.41 -0.92 0.00 0.00 175.35 175.20 2dk5 n GLY 17 N 3.46 2.97 0.51 -3.33 0.00 -1.26 -5.04 105.19 102.50 2dk5 n GLY 17 Ca 0.01 -0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 2dk5 n GLY 17 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dk5 h SER 18 N 0.00 -1.26 -2.58 1.61 0.02 -2.05 -3.44 113.55 105.84 2dk5 h SER 18 Ca 0.00 0.08 -0.24 0.00 -0.84 0.00 0.00 61.79 60.79 2dk5 h SER 18 Cb 0.00 0.39 0.13 0.00 0.14 0.00 0.00 62.40 63.05 2dk5 h SER 18 CO 0.00 -0.71 0.04 0.47 -1.14 0.00 0.00 176.83 175.48 2dk5 n ASP 19 N -5.60 -2.01 -2.65 3.07 8.00 -1.26 -5.01 116.55 111.10 2dk5 n ASP 19 Ca -0.14 -0.85 -0.20 0.00 0.71 0.00 0.00 54.79 54.31 2dk5 n ASP 19 Cb 0.48 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 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 -4.29 3.24 -0.12 -2.24 0.23 -1.26 -4.84 115.26 105.98 2dk5 n ASN 20 Ca 0.09 -3.31 -0.24 0.00 -0.53 0.00 0.00 54.58 50.60 2dk5 n ASN 20 Cb 0.37 -0.51 -0.08 0.00 -2.08 0.00 0.00 39.78 37.48 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 -0.25 0.57 0.24 -3.83 3.00 -1.26 -3.41 117.38 112.44 2dk5 n GLN 21 Ca 0.27 0.26 0.11 0.00 -0.01 0.00 0.00 57.00 57.62 2dk5 n GLN 21 Cb 0.69 -1.48 0.62 0.00 0.00 0.00 0.00 30.24 30.07 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 -1.00 0.00 0.11 -1.09 4.81 -1.98 -2.17 114.58 113.26 2dk5 h GLU 22 Ca -0.49 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.51 2dk5 h GLU 22 Cb 1.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.81 2dk5 h GLU 22 CO -0.30 0.17 -1.11 1.57 -0.73 0.00 0.00 179.01 178.62 2dk5 h LYS 23 N 0.00 0.24 -0.30 1.92 2.10 -1.90 -2.99 116.57 115.64 2dk5 h LYS 23 Ca -0.00 -0.41 -0.00 0.00 -2.00 0.00 0.00 60.65 58.23 2dk5 h LYS 23 Cb 0.46 0.15 -0.02 0.00 -0.90 0.00 0.00 32.23 31.93 2dk5 h LYS 23 CO 0.02 1.20 0.18 1.25 -2.00 0.00 0.00 179.45 180.10 2dk5 h LEU 24 N -0.40 0.35 -0.14 7.07 5.85 -1.54 -1.31 115.31 125.19 2dk5 h LEU 24 Ca -0.23 -0.01 -0.23 0.00 0.84 0.00 0.00 57.88 58.24 2dk5 h LEU 24 Cb 1.66 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 42.60 2dk5 h LEU 24 CO 0.08 0.27 -0.97 0.58 -0.34 0.00 0.00 178.44 178.06 2dk5 h VAL 25 N 0.41 1.39 -0.15 1.05 2.07 -1.51 -3.09 116.25 116.41 2dk5 h VAL 25 Ca 0.11 -2.44 -0.10 0.00 0.82 0.00 0.00 66.70 65.09 2dk5 h VAL 25 Cb -0.01 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 2dk5 h VAL 25 CO -0.02 0.73 -0.34 0.22 0.02 0.00 0.00 177.57 178.18 2dk5 h TYR 26 N 0.25 0.35 0.00 1.57 3.20 -1.22 -2.42 116.97 118.70 2dk5 h TYR 26 Ca -0.09 -0.08 -0.03 0.00 3.14 0.00 0.00 58.73 61.67 2dk5 h TYR 26 Cb 1.61 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.79 2dk5 h TYR 26 CO 0.07 0.61 -0.16 1.96 -1.64 0.00 0.00 178.16 179.00 2dk5 h GLN 27 N 0.27 0.00 0.00 1.82 1.08 -1.28 -2.80 115.11 114.19 2dk5 h GLN 27 Ca 0.03 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.04 2dk5 h GLN 27 Cb 0.73 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.13 2dk5 h GLN 27 CO 0.06 0.16 -1.09 0.82 -0.95 0.00 0.00 178.83 177.83 2dk5 h ILE 28 N 0.00 1.07 0.01 2.54 2.04 -1.37 -3.20 117.51 118.61 2dk5 h ILE 28 Ca -0.00 -2.67 -0.00 0.00 1.00 0.00 0.00 64.86 63.19 2dk5 h ILE 28 Cb 0.76 2.48 0.00 0.00 -0.74 0.00 0.00 36.82 39.33 2dk5 h ILE 28 CO 0.02 0.61 -0.01 0.40 0.00 0.00 0.00 178.15 179.17 2dk5 h ILE 29 N 0.00 1.48 0.00 -0.67 2.04 -1.29 -3.05 117.51 116.02 2dk5 h ILE 29 Ca -0.09 -1.57 -0.01 0.00 1.00 0.00 0.00 64.86 64.19 2dk5 h ILE 29 Cb 1.67 2.53 -0.00 0.00 -0.74 0.00 0.00 36.82 40.29 2dk5 h ILE 29 CO 0.09 0.40 -0.03 1.05 0.00 0.00 0.00 178.15 179.65 2dk5 h GLU 30 N -0.71 0.00 -0.13 2.37 -0.00 -1.65 -1.65 114.58 112.81 2dk5 h GLU 30 Ca -0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 59.36 59.18 2dk5 h GLU 30 Cb 0.67 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.42 2dk5 h GLU 30 CO 0.00 0.03 -0.64 0.22 -0.00 0.00 0.00 179.01 178.63 2dk5 h ASP 31 N 0.00 0.57 -0.98 3.06 3.58 -1.54 -3.14 116.42 117.97 2dk5 h ASP 31 Ca -0.00 -0.34 0.15 0.00 0.42 0.00 0.00 57.03 57.27 2dk5 h ASP 31 Cb 0.10 -0.17 -0.09 0.00 1.72 0.00 0.00 39.33 40.90 2dk5 h ASP 31 CO 0.00 1.06 0.61 0.00 -2.88 0.00 0.00 179.24 178.04 2dk5 h ALA 32 N 0.94 1.68 0.00 -0.78 0.00 -1.19 -3.48 119.26 116.43 2dk5 h ALA 32 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2dk5 h ALA 32 Cb 1.20 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2dk5 h ALA 32 CO 0.12 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.80 2dk5 n GLY 33 N -1.37 -2.09 0.46 0.00 0.00 -1.19 -4.15 105.19 96.84 2dk5 n GLY 33 Ca 0.20 -1.68 0.27 0.00 0.00 0.00 0.00 46.02 44.82 2dk5 n GLY 33 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2dk5 h ASN 34 N 0.00 0.20 -1.00 1.61 4.21 -1.93 0.23 115.58 118.90 2dk5 h ASN 34 Ca 0.00 0.03 0.09 0.00 1.21 0.00 0.00 56.30 57.63 2dk5 h ASN 34 Cb 0.00 -0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.12 2dk5 h ASN 34 CO 0.00 0.05 0.64 0.11 -1.29 0.00 0.00 177.43 176.94 2dk5 h LYS 35 N 0.18 1.06 0.00 0.81 1.57 -1.99 -3.49 116.57 114.72 2dk5 h LYS 35 Ca 0.53 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 2dk5 h LYS 35 Cb 1.73 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.80 2dk5 h LYS 35 CO -0.13 0.70 0.00 0.41 -0.57 0.00 0.00 179.45 179.86 2dk5 n GLY 36 N -1.36 -2.74 3.15 3.86 0.00 0.80 -5.03 105.19 103.87 2dk5 n GLY 36 Ca 0.17 -1.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.46 0.01 -0.02 -0.61 2.07 -0.97 -4.66 121.20 116.55 2dk5 s ILE 37 Ca 0.00 -0.06 -0.27 0.00 -1.41 0.00 0.00 60.65 58.91 2dk5 s ILE 37 Cb 0.00 -0.39 -0.03 0.00 0.13 0.00 0.00 42.46 42.17 2dk5 s ILE 37 CO 0.00 -0.03 0.87 0.86 -1.91 0.00 0.00 174.94 174.73 2dk5 s TRP 38 N -0.01 3.63 0.25 3.50 -0.00 -1.26 -1.54 118.94 123.52 2dk5 s TRP 38 Ca -0.01 1.52 0.11 0.00 -0.00 0.00 0.00 56.10 57.71 2dk5 s TRP 38 Cb -0.02 -2.99 0.83 0.00 -0.00 0.00 0.00 33.47 31.28 2dk5 s TRP 38 CO 0.01 0.04 1.13 0.45 -0.00 0.00 0.00 176.95 178.57 2dk5 n SER 39 N 3.81 0.14 0.23 5.86 2.88 -0.87 0.12 113.62 125.79 2dk5 n SER 39 Ca 0.03 1.20 -0.15 0.00 -1.33 0.00 0.00 58.87 58.62 2dk5 n SER 39 Cb 0.51 -0.53 -0.08 0.00 -0.75 0.00 0.00 64.21 63.36 2dk5 n SER 39 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2dk5 h ARG 40 N 0.00 -0.55 -1.70 -1.46 3.08 -1.91 -2.73 114.38 109.11 2dk5 h ARG 40 Ca 0.55 0.04 0.53 0.00 0.07 0.00 0.00 59.98 61.16 2dk5 h ARG 40 Cb 1.37 0.13 -0.11 0.00 0.08 0.00 0.00 29.97 31.44 2dk5 h ARG 40 CO -0.59 -0.28 1.18 -0.44 -1.07 0.00 0.00 179.97 178.76 2dk5 h ASP 41 N -0.75 0.09 0.22 7.04 3.32 0.52 0.37 116.42 127.23 2dk5 h ASP 41 Ca -0.06 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 2dk5 h ASP 41 Cb 0.52 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.15 2dk5 h ASP 41 CO 0.10 -0.11 -0.11 0.58 -1.72 0.00 0.00 179.24 177.98 2dk5 h VAL 42 N 0.01 0.74 -0.72 -1.35 2.07 -1.25 -2.84 116.25 112.91 2dk5 h VAL 42 Ca 0.91 -0.93 0.25 0.00 0.82 0.00 0.00 66.70 67.74 2dk5 h VAL 42 Cb 3.33 1.20 -0.13 0.00 -1.52 0.00 0.00 31.29 34.16 2dk5 h VAL 42 CO -0.21 0.17 0.19 0.54 0.02 0.00 0.00 177.57 178.28 2dk5 n ARG 43 N -5.00 -0.05 0.03 1.57 1.74 0.13 0.76 116.66 115.84 2dk5 n ARG 43 Ca -0.08 1.04 -0.11 0.00 -0.77 0.00 0.00 57.85 57.93 2dk5 n ARG 43 Cb 0.26 -1.74 -0.08 0.00 -1.02 0.00 0.00 32.46 29.88 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 -0.15 0.71 -1.55 0.05 -1.57 -0.39 116.97 114.06 2dk5 h TYR 44 Ca 0.52 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.26 2dk5 h TYR 44 Cb 1.23 0.05 -0.00 0.00 1.01 0.00 0.00 36.73 39.02 2dk5 h TYR 44 CO -0.20 0.33 -0.46 0.87 -1.05 0.00 0.00 178.16 177.65 2dk5 h LYS 45 N -0.85 -1.06 0.00 4.88 1.79 0.39 -2.09 116.57 119.63 2dk5 h LYS 45 Ca -0.02 0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 2dk5 h LYS 45 Cb 0.55 0.24 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 2dk5 h LYS 45 CO 0.03 -0.71 0.00 0.66 -1.08 0.00 0.00 179.45 178.35 2dk5 h SER 46 N -1.10 0.00 -2.29 0.86 4.64 0.19 -3.45 113.55 112.40 2dk5 h SER 46 Ca -0.10 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.84 2dk5 h SER 46 Cb 0.89 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.90 2dk5 h SER 46 CO 0.08 0.00 -0.42 0.59 -0.87 0.00 0.00 176.83 176.21 2dk5 n ASN 47 N -2.46 -5.22 -4.83 4.97 3.02 -0.20 -4.96 115.26 105.59 2dk5 n ASN 47 Ca 0.00 0.22 -0.24 0.00 -0.03 0.00 0.00 54.58 54.54 2dk5 n ASN 47 Cb 0.16 -4.49 -0.05 0.00 -0.61 0.00 0.00 39.78 34.80 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 -5.30 3.85 0.64 3.41 1.43 -0.97 -5.00 118.68 116.74 2dk5 s LEU 48 Ca 0.00 -0.18 -0.16 0.00 -1.03 0.00 0.00 54.13 52.77 2dk5 s LEU 48 Cb 0.00 -2.42 -0.01 0.00 0.03 0.00 0.00 46.19 43.80 2dk5 s LEU 48 CO 0.00 0.00 1.11 -2.16 0.23 0.00 0.00 176.35 175.53 2dk5 s PRO 49 N -3.55 2.88 0.27 1.29 0.04 -1.26 -4.57 135.00 130.09 2dk5 s PRO 49 Ca 0.32 1.41 -0.02 0.00 0.04 0.00 0.00 61.00 62.76 2dk5 s PRO 49 Cb -0.09 -1.96 0.58 0.00 0.04 0.00 0.00 34.50 33.07 2dk5 s PRO 49 CO 0.25 -1.19 1.66 1.25 0.04 0.00 0.00 177.00 179.01 2dk5 h LEU 50 N 0.18 -0.01 -2.30 -3.56 7.12 -1.98 0.87 115.31 115.63 2dk5 h LEU 50 Ca -0.47 0.17 0.02 0.00 0.13 0.00 0.00 57.88 57.74 2dk5 h LEU 50 Cb 1.25 0.24 -0.00 0.00 -0.53 0.00 0.00 40.66 41.61 2dk5 h LEU 50 CO 0.54 -0.10 0.08 0.00 -0.13 0.00 0.00 178.44 178.84 2dk5 h THR 51 N 0.24 0.58 0.17 1.05 1.03 -2.00 0.59 112.91 114.57 2dk5 h THR 51 Ca 0.48 0.00 -0.32 0.00 -0.01 0.00 0.00 66.41 66.56 2dk5 h THR 51 Cb 0.90 0.93 0.01 0.00 -1.07 0.00 0.00 68.15 68.92 2dk5 h THR 51 CO -0.59 0.00 -1.61 -0.33 -0.01 0.00 0.00 175.52 172.98 2dk5 h GLU 52 N 0.00 0.35 0.00 0.00 4.39 0.34 -3.10 114.58 116.55 2dk5 h GLU 52 Ca 0.04 -0.60 -0.08 0.00 0.34 0.00 0.00 59.36 59.06 2dk5 h GLU 52 Cb 0.21 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 2dk5 h GLU 52 CO -0.00 1.29 -0.37 0.82 -1.16 0.00 0.00 179.01 179.59 2dk5 h ILE 53 N -0.04 1.27 0.11 3.13 5.03 -0.34 0.18 117.51 126.85 2dk5 h ILE 53 Ca -0.32 -1.27 -0.01 0.00 -0.12 0.00 0.00 64.86 63.14 2dk5 h ILE 53 Cb 1.98 1.69 0.00 0.00 -3.03 0.00 0.00 36.82 37.46 2dk5 h ILE 53 CO 0.14 0.36 -0.05 0.78 -0.68 0.00 0.00 178.15 178.70 2dk5 h ASN 54 N 0.00 -0.13 -0.10 1.72 -0.26 -1.03 0.22 115.58 116.00 2dk5 h ASN 54 Ca -0.00 -0.45 -0.07 0.00 -0.56 0.00 0.00 56.30 55.22 2dk5 h ASN 54 Cb 0.66 0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 37.93 2dk5 h ASN 54 CO 0.05 0.46 -0.12 0.07 -1.06 0.00 0.00 177.43 176.83 2dk5 h LYS 55 N -0.80 0.44 0.12 0.81 2.10 -1.52 -2.31 116.57 115.41 2dk5 h LYS 55 Ca -0.02 -0.12 -0.01 0.00 -2.00 0.00 0.00 60.65 58.51 2dk5 h LYS 55 Cb 0.56 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 2dk5 h LYS 55 CO 0.02 0.57 -0.06 0.82 -2.00 0.00 0.00 179.45 178.81 2dk5 h ILE 56 N 0.41 0.99 -0.54 0.07 2.04 -1.02 0.40 117.51 119.87 2dk5 h ILE 56 Ca 0.08 -1.27 0.16 0.00 1.00 0.00 0.00 64.86 64.82 2dk5 h ILE 56 Cb 0.47 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 2dk5 h ILE 56 CO 0.03 0.27 0.43 -0.07 0.00 0.00 0.00 178.15 178.80 2dk5 h LEU 57 N -0.84 0.00 0.00 1.44 3.38 -0.92 -2.19 115.31 116.18 2dk5 h LEU 57 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2dk5 h LEU 57 Cb 0.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2dk5 h LEU 57 CO 0.03 0.00 -0.36 0.50 0.09 0.00 0.00 178.44 178.70 2dk5 h LYS 58 N 0.00 0.00 -0.95 1.13 3.64 -1.42 -3.28 116.57 115.69 2dk5 h LYS 58 Ca 0.26 0.00 0.21 0.00 -1.27 0.00 0.00 60.65 59.84 2dk5 h LYS 58 Cb 1.11 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.75 2dk5 h LYS 58 CO -0.00 0.24 -0.17 0.09 -2.27 0.00 0.00 179.45 177.33 2dk5 n ASN 59 N -4.65 -0.28 -0.11 4.20 5.03 0.13 0.88 115.26 120.45 2dk5 n ASN 59 Ca -0.08 1.62 -0.07 0.00 0.87 0.00 0.00 54.58 56.92 2dk5 n ASN 59 Cb 0.24 -0.52 0.01 0.00 -1.02 0.00 0.00 39.78 38.50 2dk5 n ASN 59 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 2dk5 h LEU 60 N 0.00 0.29 -1.65 3.41 3.38 -1.58 -0.48 115.31 118.68 2dk5 h LEU 60 Ca 0.48 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.47 2dk5 h LEU 60 Cb 0.81 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2dk5 h LEU 60 CO -0.95 0.21 0.23 -0.33 0.09 0.00 0.00 178.44 177.68 2dk5 h GLU 61 N 0.39 0.00 0.00 1.13 5.08 0.43 0.32 114.58 121.93 2dk5 h GLU 61 Ca 0.15 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.24 2dk5 h GLU 61 Cb 0.05 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 2dk5 h GLU 61 CO -0.10 0.00 -1.62 1.03 -1.00 0.00 0.00 179.01 177.33 2dk5 h SER 62 N 0.00 0.00 -0.14 1.42 0.87 -0.61 -3.31 113.55 111.79 2dk5 h SER 62 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2dk5 h SER 62 Cb 0.45 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 2dk5 h SER 62 CO 0.00 0.95 0.00 0.29 -0.53 0.00 0.00 176.83 177.54 2dk5 n LYS 63 N -3.05 1.38 -2.21 2.24 5.02 0.11 -4.87 118.16 116.78 2dk5 n LYS 63 Ca -0.15 -0.59 -0.15 0.00 -2.02 0.00 0.00 58.31 55.40 2dk5 n LYS 63 Cb 1.02 -1.22 -0.01 0.00 -0.02 0.00 0.00 35.03 34.79 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 -0.10 -1.22 -0.04 1.97 4.76 -1.04 -4.90 118.16 117.59 2dk5 n LYS 64 Ca 0.10 0.78 -0.18 0.00 -2.87 0.00 0.00 58.31 56.14 2dk5 n LYS 64 Cb 0.17 -5.12 -0.14 0.00 -1.84 0.00 0.00 35.03 28.10 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 -2.18 2.23 0.00 -0.35 4.77 -1.06 -4.65 117.00 115.76 2dk5 n LEU 65 Ca -0.18 0.14 -0.13 0.00 -0.03 0.00 0.00 56.01 55.81 2dk5 n LEU 65 Cb 0.63 -0.73 -0.05 0.00 -2.33 0.00 0.00 43.42 40.94 2dk5 n LEU 65 CO 0.22 0.77 -0.06 2.30 -1.33 0.00 0.00 177.39 179.29 2dk5 n ILE 66 N -3.30 0.00 -3.67 -0.08 -5.35 -1.25 -0.68 119.36 105.03 2dk5 n ILE 66 Ca -0.33 -1.59 -0.10 0.00 -0.27 0.00 0.00 62.75 60.45 2dk5 n ILE 66 Cb 1.04 0.80 -0.04 0.00 -1.74 0.00 0.00 39.64 39.70 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 -2.88 1.15 -0.17 6.28 -2.85 0.12 -4.25 119.74 117.15 2dk5 s LYS 67 Ca 0.26 -0.77 -0.13 0.00 -1.00 0.00 0.00 55.97 54.34 2dk5 s LYS 67 Cb 0.01 0.48 -0.05 0.00 -2.06 0.00 0.00 37.83 36.21 2dk5 s LYS 67 CO 0.18 -0.46 0.25 0.00 0.10 0.00 0.00 175.35 175.42 2dk5 s ALA 68 N -3.83 3.62 0.11 0.59 0.00 -1.26 -1.85 121.76 119.14 2dk5 s ALA 68 Ca 0.05 -0.51 0.07 0.00 0.00 0.00 0.00 51.96 51.57 2dk5 s ALA 68 Cb 0.01 -2.33 -0.04 0.00 0.00 0.00 0.00 23.12 20.76 2dk5 s ALA 68 CO -0.09 0.11 -0.18 0.08 0.00 0.00 0.00 175.76 175.69 2dk5 s VAL 69 N 0.42 1.55 0.09 0.00 1.01 0.78 -4.98 120.40 119.27 2dk5 s VAL 69 Ca 0.14 -1.62 0.08 0.00 0.00 0.00 0.00 61.98 60.58 2dk5 s VAL 69 Cb -0.12 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 2dk5 s VAL 69 CO 0.02 -0.22 -0.15 -0.54 0.00 0.00 0.00 175.10 174.22 2dk5 s LYS 70 N -2.22 1.98 0.29 2.72 -0.14 -1.26 -2.55 119.74 118.56 2dk5 s LYS 70 Ca 0.07 -1.07 0.09 0.00 -1.36 0.00 0.00 55.97 53.71 2dk5 s LYS 70 Cb -0.08 -2.20 -0.04 0.00 -1.68 0.00 0.00 37.83 33.82 2dk5 s LYS 70 CO 0.04 0.51 0.04 0.45 -0.76 0.00 0.00 175.35 175.62 2dk5 s SER 71 N -1.97 4.54 0.34 2.83 0.15 -1.26 -5.01 113.70 113.33 2dk5 s SER 71 Ca 0.18 -0.71 0.12 0.00 0.70 0.00 0.00 55.95 56.23 2dk5 s SER 71 Cb -0.11 -0.79 1.05 0.00 -1.71 0.00 0.00 66.02 64.47 2dk5 s SER 71 CO 0.10 -0.10 1.55 0.55 1.20 0.00 0.00 173.24 176.54 2dk5 n VAL 72 N -0.97 -0.41 -0.91 4.45 3.14 -1.26 -4.54 118.33 117.83 2dk5 n VAL 72 Ca -0.05 2.09 -0.37 0.00 -2.96 0.00 0.00 64.34 63.05 2dk5 n VAL 72 Cb 0.60 -3.22 0.07 0.00 -1.06 0.00 0.00 33.84 30.23 2dk5 n VAL 72 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2dk5 n ALA 73 N -2.71 -5.21 -0.84 1.55 0.00 -1.26 -4.86 120.51 107.18 2dk5 n ALA 73 Ca 0.31 -1.24 -0.34 0.00 0.00 0.00 0.00 53.44 52.17 2dk5 n ALA 73 Cb 1.02 -1.07 0.09 0.00 0.00 0.00 0.00 19.45 19.49 2dk5 n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dk5 n ALA 74 N -3.61 -4.53 1.73 0.00 0.00 -1.26 -4.82 120.51 108.01 2dk5 n ALA 74 Ca -0.01 -1.29 0.15 0.00 0.00 0.00 0.00 53.44 52.29 2dk5 n ALA 74 Cb 0.69 -1.03 0.78 0.00 0.00 0.00 0.00 19.45 19.90 2dk5 n ALA 74 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2dk5 n SER 75 N 1.33 0.37 -3.86 0.00 7.64 -1.26 -4.46 113.62 113.38 2dk5 n SER 75 Ca -0.01 -0.92 -0.42 0.00 1.01 0.00 0.00 58.87 58.53 2dk5 n SER 75 Cb 0.66 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 2dk5 n SER 75 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2dk5 n LYS 76 N -0.80 3.26 -3.68 1.43 4.76 -1.26 -4.86 118.16 117.01 2dk5 n LYS 76 Ca 0.20 -3.12 -0.01 0.00 -2.87 0.00 0.00 58.31 52.51 2dk5 n LYS 76 Cb 0.20 -3.11 -0.01 0.00 -1.84 0.00 0.00 35.03 30.27 2dk5 n LYS 76 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2dk5 s LYS 77 N 1.81 0.75 -0.27 1.97 -2.85 -1.26 -5.15 119.74 114.74 2dk5 s LYS 77 Ca 0.43 -0.41 -0.01 0.00 -1.00 0.00 0.00 55.97 54.99 2dk5 s LYS 77 Cb 0.11 0.26 0.16 0.00 -2.06 0.00 0.00 37.83 36.29 2dk5 s LYS 77 CO -0.03 -0.34 0.44 0.21 0.10 0.00 0.00 175.35 175.72 2dk5 s LYS 78 N -2.81 0.42 -0.05 1.78 2.47 -1.26 -5.01 119.74 115.28 2dk5 s LYS 78 Ca 0.13 0.51 -0.02 0.00 -1.56 0.00 0.00 55.97 55.03 2dk5 s LYS 78 Cb 0.02 -0.20 -0.04 0.00 -1.46 0.00 0.00 37.83 36.15 2dk5 s LYS 78 CO -0.01 -0.77 0.08 0.08 0.16 0.00 0.00 175.35 174.88 2dk5 s VAL 79 N 2.62 4.83 0.02 4.02 1.01 -1.06 -2.04 120.40 129.80 2dk5 s VAL 79 Ca 0.13 -0.24 0.07 0.00 0.00 0.00 0.00 61.98 61.94 2dk5 s VAL 79 Cb -0.14 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 2dk5 s VAL 79 CO -0.21 0.46 -0.20 -0.31 0.00 0.00 0.00 175.10 174.83 2dk5 s TYR 80 N -1.10 1.77 0.15 5.22 1.51 -0.59 -0.16 117.35 124.16 2dk5 s TYR 80 Ca 0.19 -0.36 -0.16 0.00 -1.01 0.00 0.00 57.07 55.73 2dk5 s TYR 80 Cb -0.12 -1.09 0.03 0.00 -0.11 0.00 0.00 41.96 40.68 2dk5 s TYR 80 CO 0.10 0.04 0.44 0.00 -1.11 0.00 0.00 175.55 175.03 2dk5 s MET 81 N -0.91 1.20 0.22 -0.62 0.23 -0.77 -2.30 119.30 116.33 2dk5 s MET 81 Ca 0.07 -0.79 -0.29 0.00 -1.03 0.00 0.00 55.69 53.65 2dk5 s MET 81 Cb -0.08 0.49 -0.16 0.00 -1.53 0.00 0.00 34.83 33.54 2dk5 s MET 81 CO 0.01 -0.48 0.77 1.28 -2.03 0.00 0.00 175.02 174.56 2dk5 n LEU 82 N -0.27 0.08 0.09 0.18 4.77 -1.26 -0.70 117.00 119.89 2dk5 n LEU 82 Ca -0.13 1.15 -0.06 0.00 -0.03 0.00 0.00 56.01 56.94 2dk5 n LEU 82 Cb 0.63 -1.09 0.06 0.00 -2.33 0.00 0.00 43.42 40.70 2dk5 n LEU 82 CO 0.17 -2.25 0.36 0.22 -1.33 0.00 0.00 177.39 174.56 2dk5 h TYR 83 N 1.63 0.23 -0.53 -1.77 3.20 -1.12 -3.21 116.97 115.41 2dk5 h TYR 83 Ca -0.34 -0.11 -0.12 0.00 3.14 0.00 0.00 58.73 61.30 2dk5 h TYR 83 Cb 1.40 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.62 2dk5 h TYR 83 CO 0.46 0.85 -0.13 -0.97 -1.64 0.00 0.00 178.16 176.73 2dk5 h ASN 84 N 0.11 1.03 -2.88 -2.11 -0.73 -1.84 -3.44 115.58 105.71 2dk5 h ASN 84 Ca -0.02 -0.36 -0.59 0.00 1.87 0.00 0.00 56.30 57.20 2dk5 h ASN 84 Cb 1.31 -0.28 0.11 0.00 0.27 0.00 0.00 38.32 39.73 2dk5 h ASN 84 CO 0.11 1.15 0.38 0.18 -0.37 0.00 0.00 177.43 178.88 2dk5 n LEU 85 N -4.15 2.79 -4.37 0.34 4.77 -1.21 -4.92 117.00 110.26 2dk5 n LEU 85 Ca 0.01 1.19 -0.45 0.00 -0.03 0.00 0.00 56.01 56.72 2dk5 n LEU 85 Cb 0.41 -1.40 -0.03 0.00 -2.33 0.00 0.00 43.42 40.07 2dk5 n LEU 85 CO 0.46 -0.84 0.50 -0.94 -1.33 0.00 0.00 177.39 175.24 2dk5 s SER 86 N -0.31 6.46 0.26 -1.43 1.04 -1.26 -4.97 113.70 113.49 2dk5 s SER 86 Ca 0.59 -2.00 0.04 0.00 0.48 0.00 0.00 55.95 55.06 2dk5 s SER 86 Cb -0.64 -2.28 0.04 0.00 0.10 0.00 0.00 66.02 63.24 2dk5 s SER 86 CO 0.59 -0.91 0.34 0.61 0.98 0.00 0.00 173.24 174.85 2dk5 n GLY 87 N 4.91 2.08 3.77 7.32 0.00 -1.26 -5.10 105.19 116.91 2dk5 n GLY 87 Ca 0.04 -2.18 -0.33 0.00 0.00 0.00 0.00 46.02 43.55 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 -3.16 2.91 -0.08 1.61 0.04 -1.26 -5.07 135.00 129.99 2dk5 s PRO 88 Ca 0.26 1.43 -0.04 0.00 0.04 0.00 0.00 61.00 62.69 2dk5 s PRO 88 Cb -0.02 -1.96 0.04 0.00 0.04 0.00 0.00 34.50 32.60 2dk5 s PRO 88 CO 0.16 -1.17 0.18 -1.54 0.04 0.00 0.00 177.00 174.67 2dk5 s SER 89 N -2.43 -0.16 -0.02 6.66 1.04 -1.26 -4.99 113.70 112.53 2dk5 s SER 89 Ca 0.68 0.37 -0.15 0.00 0.48 0.00 0.00 55.95 57.33 2dk5 s SER 89 Cb -0.21 0.27 0.02 0.00 0.10 0.00 0.00 66.02 66.21 2dk5 s SER 89 CO 0.39 -0.14 0.32 -0.44 0.98 0.00 0.00 173.24 174.34 2dk5 s SER 90 N 1.05 -0.21 0.00 7.02 0.01 -1.26 -5.24 113.70 115.07 2dk5 s SER 90 Ca -0.08 0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.31 2dk5 s SER 90 Cb -0.10 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.47 2dk5 s SER 90 CO -0.06 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 173.77