#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dk2 s LYS 3 N 0.00 -2.78 0.51 -1.46 -2.85 -1.26 -4.99 119.74 106.92 1dk2 s LYS 3 Ca 0.00 0.12 -0.09 0.00 -1.00 0.00 0.00 55.97 55.01 1dk2 s LYS 3 Cb 0.00 -1.40 0.13 0.00 -2.06 0.00 0.00 37.83 34.51 1dk2 s LYS 3 CO 0.00 -4.77 0.35 2.89 0.10 0.00 0.00 175.35 173.92 1dk2 n ARG 4 N -5.56 -2.64 -0.09 1.78 1.85 -1.26 -5.02 116.66 105.72 1dk2 n ARG 4 Ca 0.13 -0.58 -0.11 0.00 -1.00 0.00 0.00 57.85 56.29 1dk2 n ARG 4 Cb 0.60 -0.67 -0.04 0.00 -1.05 0.00 0.00 32.46 31.30 1dk2 n ARG 4 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1dk2 n LYS 5 N -3.18 0.53 -0.82 2.89 3.00 -1.26 -4.98 118.16 114.34 1dk2 n LYS 5 Ca 0.05 0.24 -0.31 0.00 -0.00 0.00 0.00 58.31 58.29 1dk2 n LYS 5 Cb 0.22 -1.46 0.15 0.00 0.00 0.00 0.00 35.03 33.94 1dk2 n LYS 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1dk2 s ALA 6 N -2.85 1.63 0.00 3.14 0.00 -1.26 -5.01 121.76 117.40 1dk2 s ALA 6 Ca -0.29 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.18 1dk2 s ALA 6 Cb 0.05 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1dk2 s ALA 6 CO 0.42 -2.55 0.00 -0.35 0.00 0.00 0.00 175.76 173.28 1dk2 n PRO 7 N -4.08 0.00 0.00 0.00 -0.04 -1.26 -4.92 135.00 124.70 1dk2 n PRO 7 Ca 0.11 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 1dk2 n PRO 7 Cb 0.52 -0.53 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1dk2 n PRO 7 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1dk2 n GLN 8 N -1.25 0.00 -3.56 0.54 6.02 -1.26 -5.10 117.38 112.77 1dk2 n GLN 8 Ca 0.00 0.10 -0.06 0.00 -0.01 0.00 0.00 57.00 57.03 1dk2 n GLN 8 Cb 0.00 -0.45 -0.02 0.00 1.02 0.00 0.00 30.24 30.79 1dk2 n GLN 8 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1dk2 s GLU 9 N -0.41 0.67 0.16 -1.09 -1.05 -1.26 -5.18 118.70 110.54 1dk2 s GLU 9 Ca 0.00 -0.27 0.05 0.00 -0.15 0.00 0.00 54.97 54.61 1dk2 s GLU 9 Cb 0.00 0.30 -0.04 0.00 -0.44 0.00 0.00 34.13 33.94 1dk2 s GLU 9 CO 0.00 -0.30 -0.12 -0.08 0.95 0.00 0.00 175.26 175.71 1dk2 s THR 10 N -2.89 1.33 0.01 1.83 -1.32 -1.26 -5.02 115.64 108.32 1dk2 s THR 10 Ca 0.07 -2.03 0.00 0.00 -1.21 0.00 0.00 61.69 58.52 1dk2 s THR 10 Cb -0.01 -1.83 0.00 0.00 -1.51 0.00 0.00 72.50 69.15 1dk2 s THR 10 CO -0.07 -0.65 0.01 0.18 -2.21 0.00 0.00 174.62 171.88 1dk2 n LEU 11 N -0.10 0.00 -3.67 9.08 4.77 -1.26 -4.72 117.00 121.10 1dk2 n LEU 11 Ca -0.11 -0.03 -0.25 0.00 -0.03 0.00 0.00 56.01 55.59 1dk2 n LEU 11 Cb 0.60 -0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.75 1dk2 n LEU 11 CO 0.32 -0.31 0.19 0.59 -1.33 0.00 0.00 177.39 176.85 1dk2 n ASN 12 N -2.21 -5.46 -0.22 -1.43 4.13 -1.26 -4.79 115.26 104.02 1dk2 n ASN 12 Ca 0.00 -0.62 0.14 0.00 1.68 0.00 0.00 54.58 55.78 1dk2 n ASN 12 Cb 0.01 -4.73 0.56 0.00 -1.54 0.00 0.00 39.78 34.08 1dk2 n ASN 12 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1dk2 n GLY 13 N -1.85 -0.64 0.12 7.41 0.00 -1.26 -3.54 105.19 105.43 1dk2 n GLY 13 Ca -0.02 -0.34 -0.17 0.00 0.00 0.00 0.00 46.02 45.49 1dk2 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dk2 n GLY 14 N 1.25 -0.68 0.31 -0.02 0.00 -1.26 -3.53 105.19 101.26 1dk2 n GLY 14 Ca 0.16 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 1dk2 n GLY 14 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1dk2 h ILE 15 N 0.05 0.00 -0.41 -0.61 2.04 -1.97 -3.08 117.51 113.52 1dk2 h ILE 15 Ca -0.40 -0.45 0.12 0.00 1.00 0.00 0.00 64.86 65.13 1dk2 h ILE 15 Cb 2.03 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 1dk2 h ILE 15 CO 0.07 0.00 0.44 0.00 0.00 0.00 0.00 178.15 178.67 1dk2 h THR 16 N -1.19 0.38 -0.02 -0.27 1.03 -1.77 0.33 112.91 111.41 1dk2 h THR 16 Ca -0.08 0.00 -0.10 0.00 -0.01 0.00 0.00 66.41 66.23 1dk2 h THR 16 Cb 0.56 0.65 -0.01 0.00 -1.07 0.00 0.00 68.15 68.28 1dk2 h THR 16 CO 0.12 0.00 -0.46 -0.78 -0.01 0.00 0.00 175.52 174.39 1dk2 h ASP 17 N 0.00 0.04 0.85 0.00 1.82 -1.58 0.20 116.42 117.75 1dk2 h ASP 17 Ca 0.20 -0.02 -0.05 0.00 -0.39 0.00 0.00 57.03 56.77 1dk2 h ASP 17 Cb 1.08 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 41.07 1dk2 h ASP 17 CO -0.00 0.49 -1.19 0.80 -1.61 0.00 0.00 179.24 177.73 1dk2 n MET 18 N -3.99 0.61 0.03 0.28 1.56 0.11 -2.56 117.12 113.16 1dk2 n MET 18 Ca -0.02 0.14 -0.16 0.00 -0.27 0.00 0.00 57.70 57.39 1dk2 n MET 18 Cb 0.49 -1.80 -0.14 0.00 2.15 0.00 0.00 33.22 33.91 1dk2 n MET 18 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 1dk2 h LEU 19 N 0.00 0.30 -0.21 -0.89 4.07 -1.10 -3.13 115.31 114.35 1dk2 h LEU 19 Ca -0.05 -0.50 -0.20 0.00 0.08 0.00 0.00 57.88 57.20 1dk2 h LEU 19 Cb 1.18 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.81 1dk2 h LEU 19 CO 0.01 1.43 -0.92 0.58 -1.08 0.00 0.00 178.44 178.46 1dk2 h VAL 20 N 0.05 1.56 0.61 1.22 2.07 -0.74 -1.00 116.25 120.02 1dk2 h VAL 20 Ca -0.29 -2.85 -0.03 0.00 0.82 0.00 0.00 66.70 64.35 1dk2 h VAL 20 Cb 2.01 2.59 0.01 0.00 -1.52 0.00 0.00 31.29 34.38 1dk2 h VAL 20 CO 0.13 0.82 -0.29 -0.08 0.02 0.00 0.00 177.57 178.17 1dk2 h GLU 21 N 0.06 -0.79 -0.27 1.57 4.81 -1.60 -2.81 114.58 115.54 1dk2 h GLU 21 Ca -0.04 0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1dk2 h GLU 21 Cb 1.59 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 31.13 1dk2 h GLU 21 CO 0.13 -0.53 0.01 1.37 -0.73 0.00 0.00 179.01 179.27 1dk2 h LEU 22 N -1.04 0.37 -1.38 1.64 8.10 -1.66 -2.14 115.31 119.21 1dk2 h LEU 22 Ca -0.08 -0.06 0.22 0.00 0.11 0.00 0.00 57.88 58.07 1dk2 h LEU 22 Cb 0.63 -0.10 -0.08 0.00 -0.44 0.00 0.00 40.66 40.67 1dk2 h LEU 22 CO 0.14 0.43 0.62 0.00 -4.11 0.00 0.00 178.44 175.52 1dk2 h ALA 23 N 1.63 2.12 -0.34 0.17 0.00 -1.09 0.66 119.26 122.40 1dk2 h ALA 23 Ca 0.09 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 1dk2 h ALA 23 Cb 0.25 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1dk2 h ALA 23 CO 0.00 -0.45 -0.38 -0.97 0.00 0.00 0.00 179.25 177.46 1dk2 h ASN 24 N 0.47 0.92 0.08 0.00 -1.24 -1.12 -2.42 115.58 112.27 1dk2 h ASN 24 Ca 0.52 -0.48 -0.00 0.00 0.71 0.00 0.00 56.30 57.05 1dk2 h ASN 24 Cb 1.22 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 40.01 1dk2 h ASN 24 CO -0.24 1.21 -0.00 0.15 -1.29 0.00 0.00 177.43 177.25 1dk2 h PHE 25 N 0.64 0.00 0.09 0.67 3.04 0.31 0.48 116.94 122.17 1dk2 h PHE 25 Ca 0.05 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.99 1dk2 h PHE 25 Cb 0.97 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.48 1dk2 h PHE 25 CO 0.07 0.00 -0.04 0.93 -2.02 0.00 0.00 178.31 177.25 1dk2 h GLU 26 N 0.00 -0.12 -0.36 1.11 4.39 -0.66 -2.99 114.58 115.94 1dk2 h GLU 26 Ca -0.00 0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 1dk2 h GLU 26 Cb 0.05 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1dk2 h GLU 26 CO 0.00 0.06 -0.31 -0.22 -1.16 0.00 0.00 179.01 177.38 1dk2 h LYS 27 N -1.02 0.80 -0.10 2.33 3.64 -1.40 -2.61 116.57 118.21 1dk2 h LYS 27 Ca -0.01 -0.37 0.03 0.00 -1.27 0.00 0.00 60.65 59.03 1dk2 h LYS 27 Cb 0.23 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1dk2 h LYS 27 CO 0.02 1.00 0.09 -0.91 -2.27 0.00 0.00 179.45 177.38 1dk2 h ASN 28 N 0.67 0.00 -3.26 4.20 4.21 -0.19 -3.41 115.58 117.80 1dk2 h ASN 28 Ca 0.07 0.00 -0.47 0.00 1.21 0.00 0.00 56.30 57.11 1dk2 h ASN 28 Cb 0.85 0.00 0.04 0.00 -1.12 0.00 0.00 38.32 38.09 1dk2 h ASN 28 CO 0.07 0.00 0.05 -0.69 -1.29 0.00 0.00 177.43 175.58 1dk2 s VAL 29 N -4.80 3.96 0.00 2.81 1.01 -0.98 -5.05 120.40 117.35 1dk2 s VAL 29 Ca -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1dk2 s VAL 29 Cb 0.16 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1dk2 s VAL 29 CO 0.60 -0.46 0.11 -0.24 0.00 0.00 0.00 175.10 175.12 1dk2 n SER 30 N -2.33 0.00 -3.22 3.32 2.88 -1.26 -4.22 113.62 108.78 1dk2 n SER 30 Ca 0.03 0.55 -0.37 0.00 -1.33 0.00 0.00 58.87 57.74 1dk2 n SER 30 Cb 0.57 -0.49 -0.04 0.00 -0.75 0.00 0.00 64.21 63.51 1dk2 n SER 30 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1dk2 n GLN 31 N -1.97 3.68 -2.95 -1.46 1.13 -1.26 -4.47 117.38 110.08 1dk2 n GLN 31 Ca 0.00 -2.27 -0.14 0.00 -1.94 0.00 0.00 57.00 52.65 1dk2 n GLN 31 Cb 0.00 -2.71 0.01 0.00 0.11 0.00 0.00 30.24 27.65 1dk2 n GLN 31 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1dk2 n ALA 32 N 3.24 0.42 -0.05 -1.58 0.00 -1.26 -4.93 120.51 116.35 1dk2 n ALA 32 Ca 0.74 -2.34 -0.05 0.00 0.00 0.00 0.00 53.44 51.79 1dk2 n ALA 32 Cb 0.29 -1.08 -0.08 0.00 0.00 0.00 0.00 19.45 18.58 1dk2 n ALA 32 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1dk2 n ILE 33 N 1.01 0.69 -0.01 0.00 0.13 -1.26 -3.18 119.36 116.73 1dk2 n ILE 33 Ca 0.15 -0.41 -0.12 0.00 -1.10 0.00 0.00 62.75 61.27 1dk2 n ILE 33 Cb 0.63 -0.75 -0.06 0.00 -0.84 0.00 0.00 39.64 38.61 1dk2 n ILE 33 CO 0.00 0.00 0.00 1.12 2.80 0.00 0.00 176.55 180.47 1dk2 h HIS 34 N 0.00 0.13 0.00 9.51 2.07 -1.95 -2.11 115.15 122.80 1dk2 h HIS 34 Ca -0.27 -0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 57.23 1dk2 h HIS 34 Cb 1.60 -0.04 -0.00 0.00 2.57 0.00 0.00 27.41 31.54 1dk2 h HIS 34 CO 0.00 0.21 -0.05 1.57 -3.07 0.00 0.00 177.93 176.59 1dk2 h LYS 35 N 0.01 0.00 0.09 5.12 -0.00 -1.96 -3.18 116.57 116.65 1dk2 h LYS 35 Ca 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.68 1dk2 h LYS 35 Cb 0.13 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.36 1dk2 h LYS 35 CO -0.00 0.05 -0.06 -0.92 -0.00 0.00 0.00 179.45 178.51 1dk2 h TYR 36 N 0.00 -0.17 -0.13 0.07 3.20 -1.52 -2.18 116.97 116.24 1dk2 h TYR 36 Ca -0.00 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.91 1dk2 h TYR 36 Cb 0.59 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 1dk2 h TYR 36 CO 0.00 -0.09 0.24 -0.97 -1.64 0.00 0.00 178.16 175.70 1dk2 h ASN 37 N -0.15 0.00 0.41 -2.11 -0.73 -1.62 -1.46 115.58 109.92 1dk2 h ASN 37 Ca -0.01 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.14 1dk2 h ASN 37 Cb 0.12 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.70 1dk2 h ASN 37 CO 0.01 0.00 -0.33 0.00 -0.37 0.00 0.00 177.43 176.74 1dk2 h ALA 38 N 1.64 -1.07 0.00 1.57 0.00 -1.38 -1.09 119.26 118.93 1dk2 h ALA 38 Ca 0.06 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1dk2 h ALA 38 Cb 0.55 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1dk2 h ALA 38 CO -0.00 -1.07 -0.54 1.88 0.00 0.00 0.00 179.25 179.52 1dk2 h TYR 39 N -0.72 0.00 -0.66 0.00 -1.99 -1.29 -2.68 116.97 109.65 1dk2 h TYR 39 Ca -0.05 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.66 1dk2 h TYR 39 Cb 0.60 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.30 1dk2 h TYR 39 CO -0.13 0.54 0.34 -0.09 -0.00 0.00 0.00 178.16 178.82 1dk2 h ARG 40 N 0.00 0.91 0.01 4.88 9.65 -1.11 0.42 114.38 129.14 1dk2 h ARG 40 Ca -0.01 -0.11 -0.05 0.00 -1.10 0.00 0.00 59.98 58.71 1dk2 h ARG 40 Cb 1.14 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 29.54 1dk2 h ARG 40 CO 0.07 0.69 -0.28 -0.22 2.80 0.00 0.00 179.97 183.02 1dk2 h LYS 41 N 0.92 0.01 0.00 0.20 3.64 -1.15 -2.97 116.57 117.23 1dk2 h LYS 41 Ca 0.23 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 1dk2 h LYS 41 Cb 0.06 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1dk2 h LYS 41 CO -0.03 1.01 -0.15 0.00 -2.27 0.00 0.00 179.45 178.00 1dk2 h ALA 42 N -0.09 1.54 -0.05 5.00 0.00 -1.39 -1.51 119.26 122.76 1dk2 h ALA 42 Ca -0.07 -0.14 -0.22 0.00 0.00 0.00 0.00 54.91 54.47 1dk2 h ALA 42 Cb 1.09 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1dk2 h ALA 42 CO -0.03 0.19 -0.88 0.00 0.00 0.00 0.00 179.25 178.53 1dk2 h ALA 43 N 1.85 0.37 -0.07 0.00 0.00 -0.25 -2.07 119.26 119.09 1dk2 h ALA 43 Ca -0.00 -0.66 -0.05 0.00 0.00 0.00 0.00 54.91 54.20 1dk2 h ALA 43 Cb 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1dk2 h ALA 43 CO 0.02 0.76 -0.15 0.77 0.00 0.00 0.00 179.25 180.64 1dk2 h SER 44 N 0.33 0.25 -0.32 0.00 0.02 -1.25 0.39 113.55 112.98 1dk2 h SER 44 Ca -0.07 -0.57 -0.05 0.00 -0.84 0.00 0.00 61.79 60.26 1dk2 h SER 44 Cb 1.50 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.94 1dk2 h SER 44 CO 0.16 0.78 0.04 1.62 -1.14 0.00 0.00 176.83 178.29 1dk2 h VAL 45 N -0.26 1.21 0.00 2.27 3.04 -1.37 0.84 116.25 121.97 1dk2 h VAL 45 Ca 0.00 -0.81 -0.20 0.00 -1.01 0.00 0.00 66.70 64.68 1dk2 h VAL 45 Cb 0.74 0.86 -0.03 0.00 -2.01 0.00 0.00 31.29 30.84 1dk2 h VAL 45 CO 0.03 0.29 -1.14 0.40 -1.01 0.00 0.00 177.57 176.14 1dk2 h ILE 46 N 0.61 1.13 0.00 3.17 2.04 -1.36 -3.12 117.51 119.98 1dk2 h ILE 46 Ca 0.13 -2.76 -0.03 0.00 1.00 0.00 0.00 64.86 63.20 1dk2 h ILE 46 Cb 0.33 2.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 1dk2 h ILE 46 CO 0.01 0.64 -0.89 0.00 0.00 0.00 0.00 178.15 177.91 1dk2 h ALA 47 N 1.17 0.61 -0.50 1.87 0.00 0.13 -3.32 119.26 119.22 1dk2 h ALA 47 Ca -0.10 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1dk2 h ALA 47 Cb 1.72 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.49 1dk2 h ALA 47 CO 0.09 0.17 0.09 1.17 0.00 0.00 0.00 179.25 180.77 1dk2 n LYS 48 N -2.80 3.52 -3.66 0.00 4.81 0.29 -4.83 118.16 115.48 1dk2 n LYS 48 Ca -0.01 -3.04 -0.37 0.00 -0.87 0.00 0.00 58.31 54.02 1dk2 n LYS 48 Cb 0.60 -2.06 -0.06 0.00 0.02 0.00 0.00 35.03 33.53 1dk2 n LYS 48 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1dk2 s TYR 49 N -2.92 3.66 -2.06 5.64 5.04 -1.18 -4.97 117.35 120.57 1dk2 s TYR 49 Ca 0.50 0.79 0.11 0.00 -2.44 0.00 0.00 57.07 56.03 1dk2 s TYR 49 Cb 0.40 -2.14 0.42 0.00 0.35 0.00 0.00 41.96 41.00 1dk2 s TYR 49 CO 0.11 0.67 1.31 -0.35 -1.34 0.00 0.00 175.55 175.95 1dk2 n PRO 50 N 1.76 1.50 -3.19 4.97 -0.04 -1.26 -4.11 135.00 134.64 1dk2 n PRO 50 Ca -0.15 -0.77 -0.10 0.00 -0.04 0.00 0.00 63.50 62.43 1dk2 n PRO 50 Cb 0.53 -1.23 -0.02 0.00 -0.04 0.00 0.00 33.50 32.73 1dk2 n PRO 50 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1dk2 n HIS 51 N 0.08 -1.02 -4.04 0.54 8.25 -1.26 -4.87 115.22 112.90 1dk2 n HIS 51 Ca 0.10 -1.58 -0.22 0.00 -0.26 0.00 0.00 57.72 55.77 1dk2 n HIS 51 Cb 0.20 0.34 -0.04 0.00 1.12 0.00 0.00 29.99 31.61 1dk2 n HIS 51 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1dk2 s LYS 52 N -2.57 3.05 -0.00 -0.41 1.02 -1.26 -4.70 119.74 114.87 1dk2 s LYS 52 Ca 0.20 -0.99 -0.08 0.00 0.02 0.00 0.00 55.97 55.12 1dk2 s LYS 52 Cb -0.00 -2.65 -0.05 0.00 -0.52 0.00 0.00 37.83 34.61 1dk2 s LYS 52 CO 0.14 0.38 0.28 0.42 -0.92 0.00 0.00 175.35 175.65 1dk2 s ILE 53 N -2.11 5.28 -0.07 2.17 1.01 -1.26 -5.03 121.20 121.19 1dk2 s ILE 53 Ca 0.34 0.28 -0.05 0.00 0.00 0.00 0.00 60.65 61.22 1dk2 s ILE 53 Cb -0.08 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 1dk2 s ILE 53 CO 0.26 0.42 -0.10 1.17 0.00 0.00 0.00 174.94 176.69 1dk2 n LYS 54 N 1.29 0.23 -4.76 2.79 4.81 -1.26 -5.04 118.16 116.22 1dk2 n LYS 54 Ca -0.12 0.35 -0.34 0.00 -0.87 0.00 0.00 58.31 57.33 1dk2 n LYS 54 Cb 0.53 -1.18 -0.07 0.00 0.02 0.00 0.00 35.03 34.33 1dk2 n LYS 54 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1dk2 n SER 55 N -3.43 3.45 0.03 3.14 7.64 -1.26 -4.89 113.62 118.30 1dk2 n SER 55 Ca -0.04 -3.30 0.02 0.00 1.01 0.00 0.00 58.87 56.56 1dk2 n SER 55 Cb 0.15 0.36 0.37 0.00 -1.01 0.00 0.00 64.21 64.08 1dk2 n SER 55 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1dk2 h GLY 56 N 1.26 0.50 1.88 0.23 0.00 -1.89 -1.55 103.07 103.51 1dk2 h GLY 56 Ca -0.44 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 46.62 1dk2 h GLY 56 CO 0.72 0.24 -0.04 0.00 0.00 0.00 0.00 176.54 177.46 1dk2 h ALA 57 N 1.63 1.74 0.00 3.60 0.00 -1.95 -0.73 119.26 123.55 1dk2 h ALA 57 Ca 0.11 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1dk2 h ALA 57 Cb 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1dk2 h ALA 57 CO -0.00 0.20 -0.24 0.93 0.00 0.00 0.00 179.25 180.14 1dk2 h GLU 58 N 0.15 0.00 0.04 0.00 5.08 -1.67 -2.04 114.58 116.14 1dk2 h GLU 58 Ca 0.04 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.12 1dk2 h GLU 58 Cb 0.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1dk2 h GLU 58 CO 0.01 0.24 -1.46 0.00 -1.00 0.00 0.00 179.01 176.79 1dk2 h ALA 59 N 1.76 0.50 -0.02 3.43 0.00 -1.12 -3.33 119.26 120.48 1dk2 h ALA 59 Ca -0.00 -1.20 -0.22 0.00 0.00 0.00 0.00 54.91 53.48 1dk2 h ALA 59 Cb 0.74 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1dk2 h ALA 59 CO 0.03 1.36 -0.90 0.87 0.00 0.00 0.00 179.25 180.60 1dk2 h LYS 60 N 0.02 0.46 0.00 0.00 1.57 -1.21 -3.13 116.57 114.29 1dk2 h LYS 60 Ca -0.20 -0.46 -0.00 0.00 -1.87 0.00 0.00 60.65 58.11 1dk2 h LYS 60 Cb 1.94 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 34.38 1dk2 h LYS 60 CO 0.12 1.11 -0.02 1.57 -0.57 0.00 0.00 179.45 181.66 1dk2 h LYS 61 N 0.27 0.00 -7.01 3.15 2.10 -1.50 -3.43 116.57 110.16 1dk2 h LYS 61 Ca -0.07 0.00 -0.50 0.00 -2.00 0.00 0.00 60.65 58.08 1dk2 h LYS 61 Cb 1.53 0.00 0.05 0.00 -0.90 0.00 0.00 32.23 32.91 1dk2 h LYS 61 CO 0.16 0.02 0.46 -0.51 -2.00 0.00 0.00 179.45 177.58 1dk2 s LEU 62 N -8.23 4.00 -0.66 7.07 1.43 -1.18 -4.95 118.68 116.16 1dk2 s LEU 62 Ca -0.05 2.21 -0.27 0.00 -1.03 0.00 0.00 54.13 54.99 1dk2 s LEU 62 Cb 0.16 -4.29 0.02 0.00 0.03 0.00 0.00 46.19 42.11 1dk2 s LEU 62 CO 0.60 -0.86 1.31 -2.16 0.23 0.00 0.00 176.35 175.48 1dk2 s PRO 63 N -2.76 3.26 0.00 1.29 0.04 -1.26 -3.34 135.00 132.23 1dk2 s PRO 63 Ca 0.64 0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.73 1dk2 s PRO 63 Cb -0.26 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.14 1dk2 s PRO 63 CO 0.31 -2.03 0.00 0.41 0.04 0.00 0.00 177.00 175.74 1dk2 n GLY 64 N 5.30 1.10 3.81 0.56 0.00 -1.26 -4.78 105.19 109.90 1dk2 n GLY 64 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1dk2 n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dk2 s VAL 65 N 0.00 4.80 0.00 1.61 1.01 -1.21 -3.04 120.40 123.57 1dk2 s VAL 65 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.15 1dk2 s VAL 65 Cb 0.00 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1dk2 s VAL 65 CO 0.00 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1dk2 n GLY 66 N 1.85 2.30 0.09 4.51 0.00 -1.26 -4.84 105.19 107.84 1dk2 n GLY 66 Ca -0.10 -1.91 -0.09 0.00 0.00 0.00 0.00 46.02 43.92 1dk2 n GLY 66 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1dk2 n THR 67 N 0.00 1.34 0.11 2.61 -1.04 -1.26 -3.53 114.28 112.51 1dk2 n THR 67 Ca 0.00 -0.84 -0.05 0.00 -2.04 0.00 0.00 64.05 61.13 1dk2 n THR 67 Cb 0.00 -0.49 -0.02 0.00 -1.82 0.00 0.00 70.33 68.00 1dk2 n THR 67 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1dk2 h LYS 68 N 0.00 -0.31 -0.33 -2.82 3.64 -2.00 -2.85 116.57 111.91 1dk2 h LYS 68 Ca -0.50 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 1dk2 h LYS 68 Cb 2.16 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 34.04 1dk2 h LYS 68 CO 0.03 -0.21 0.17 0.82 -2.27 0.00 0.00 179.45 178.00 1dk2 h ILE 69 N -0.68 1.11 -0.86 2.00 1.08 -1.90 -1.96 117.51 116.31 1dk2 h ILE 69 Ca -0.03 -0.29 0.06 0.00 -0.39 0.00 0.00 64.86 64.22 1dk2 h ILE 69 Cb 0.25 0.68 -0.06 0.00 -3.07 0.00 0.00 36.82 34.61 1dk2 h ILE 69 CO 0.05 0.12 0.53 0.00 -0.69 0.00 0.00 178.15 178.16 1dk2 h ALA 70 N 1.74 1.18 -0.79 1.87 0.00 -1.63 -0.46 119.26 121.17 1dk2 h ALA 70 Ca 0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1dk2 h ALA 70 Cb 0.03 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1dk2 h ALA 70 CO -0.02 0.26 0.43 0.93 0.00 0.00 0.00 179.25 180.86 1dk2 h GLU 71 N 0.96 1.10 -0.10 0.00 4.39 -1.10 -1.01 114.58 118.81 1dk2 h GLU 71 Ca 0.38 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.93 1dk2 h GLU 71 Cb 0.19 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1dk2 h GLU 71 CO -0.18 0.80 -0.04 -0.22 -1.16 0.00 0.00 179.01 178.21 1dk2 h LYS 72 N 1.11 0.14 -0.60 2.33 3.64 -1.01 -1.93 116.57 120.24 1dk2 h LYS 72 Ca 0.28 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.60 1dk2 h LYS 72 Cb 0.03 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1dk2 h LYS 72 CO -0.05 0.20 0.23 0.82 -2.27 0.00 0.00 179.45 178.39 1dk2 h ILE 73 N 0.14 1.23 -0.92 2.00 1.08 -0.53 -2.41 117.51 118.10 1dk2 h ILE 73 Ca 0.03 -0.73 0.08 0.00 -0.39 0.00 0.00 64.86 63.86 1dk2 h ILE 73 Cb 0.18 0.59 -0.07 0.00 -3.07 0.00 0.00 36.82 34.44 1dk2 h ILE 73 CO 0.01 0.28 0.57 0.44 -0.69 0.00 0.00 178.15 178.76 1dk2 h ASP 74 N 0.84 0.87 0.17 1.72 5.19 -1.20 0.21 116.42 124.23 1dk2 h ASP 74 Ca 0.20 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.61 1dk2 h ASP 74 Cb 0.22 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 39.57 1dk2 h ASP 74 CO -0.01 0.52 -0.12 -0.33 -3.12 0.00 0.00 179.24 176.18 1dk2 h GLU 75 N 0.99 0.00 0.09 3.56 4.39 -1.33 0.47 114.58 122.74 1dk2 h GLU 75 Ca 0.43 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.12 1dk2 h GLU 75 Cb 0.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1dk2 h GLU 75 CO -0.21 0.12 -0.04 0.74 -1.16 0.00 0.00 179.01 178.45 1dk2 h PHE 76 N 0.00 -0.11 0.00 4.33 0.04 -0.33 -3.11 116.94 117.75 1dk2 h PHE 76 Ca -0.00 -0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 1dk2 h PHE 76 Cb 0.23 0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 1dk2 h PHE 76 CO 0.00 0.40 -0.43 -0.07 -0.60 0.00 0.00 178.31 177.61 1dk2 h LEU 77 N -0.71 0.00 0.00 1.54 -0.00 -1.05 -2.60 115.31 112.48 1dk2 h LEU 77 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1dk2 h LEU 77 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.22 1dk2 h LEU 77 CO 0.02 0.43 0.00 0.00 -0.00 0.00 0.00 178.44 178.89 1dk2 n ALA 78 N -2.32 -0.03 -0.10 1.53 0.00 0.16 -4.68 120.51 115.08 1dk2 n ALA 78 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.29 1dk2 n ALA 78 Cb 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.93 1dk2 n ALA 78 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1dk2 n THR 79 N -0.59 1.49 0.00 0.00 -1.04 -1.18 -5.05 114.28 107.91 1dk2 n THR 79 Ca 0.00 0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1dk2 n THR 79 Cb 0.00 -2.21 0.00 0.00 -1.82 0.00 0.00 70.33 66.30 1dk2 n THR 79 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1dk2 n GLY 80 N 1.45 3.72 3.70 3.41 0.00 -0.98 -5.04 105.19 111.46 1dk2 n GLY 80 Ca -0.24 -0.85 -0.23 0.00 0.00 0.00 0.00 46.02 44.71 1dk2 n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dk2 s LYS 81 N 0.00 2.42 0.35 1.61 1.02 -1.26 -4.81 119.74 119.07 1dk2 s LYS 81 Ca 0.00 -1.39 -0.05 0.00 0.02 0.00 0.00 55.97 54.55 1dk2 s LYS 81 Cb 0.00 -2.23 0.01 0.00 -0.52 0.00 0.00 37.83 35.09 1dk2 s LYS 81 CO 0.00 0.31 0.53 -0.48 -0.92 0.00 0.00 175.35 174.79 1dk2 s LEU 82 N -3.74 0.82 -0.16 3.17 -0.00 -1.26 -5.02 118.68 112.48 1dk2 s LEU 82 Ca 0.33 -1.41 -0.08 0.00 -0.00 0.00 0.00 54.13 52.97 1dk2 s LEU 82 Cb -0.06 1.71 -0.04 0.00 -0.00 0.00 0.00 46.19 47.80 1dk2 s LEU 82 CO 0.21 -1.36 0.13 -0.13 -0.00 0.00 0.00 176.35 175.21 1dk2 s ARG 83 N -2.97 3.80 0.15 1.48 0.52 -1.26 -5.09 118.95 115.58 1dk2 s ARG 83 Ca 0.28 -0.18 0.01 0.00 -0.52 0.00 0.00 55.73 55.33 1dk2 s ARG 83 Cb -0.01 -3.30 -0.01 0.00 0.52 0.00 0.00 34.95 32.15 1dk2 s ARG 83 CO 0.18 0.55 0.05 1.63 0.02 0.00 0.00 175.30 177.73 1dk2 n LYS 84 N 2.73 0.81 -2.68 3.54 5.02 -1.26 -5.10 118.16 121.22 1dk2 n LYS 84 Ca -0.18 -1.25 -0.43 0.00 -2.02 0.00 0.00 58.31 54.43 1dk2 n LYS 84 Cb 0.54 0.68 -0.02 0.00 -0.02 0.00 0.00 35.03 36.20 1dk2 n LYS 84 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1dk2 s LEU 85 N 0.00 4.05 -0.02 -0.35 2.01 -1.26 -5.02 118.68 118.10 1dk2 s LEU 85 Ca 0.07 1.24 -0.04 0.00 0.01 0.00 0.00 54.13 55.41 1dk2 s LEU 85 Cb 0.00 -3.50 0.00 0.00 0.01 0.00 0.00 46.19 42.71 1dk2 s LEU 85 CO 0.05 -0.72 0.10 -1.61 1.01 0.00 0.00 176.35 175.18 1dk2 s GLU 86 N 3.30 0.29 0.00 1.70 2.02 -1.26 -5.29 118.70 119.45 1dk2 s GLU 86 Ca 0.43 -0.16 0.00 0.00 0.02 0.00 0.00 54.97 55.26 1dk2 s GLU 86 Cb -0.14 0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.21 1dk2 s GLU 86 CO 0.09 -0.06 0.00 1.17 0.02 0.00 0.00 175.26 176.48