#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 0.23 0.52 1.43 2.20 -1.26 -5.10 119.74 117.76 1dk2 s LYS 3 Ca 0.00 0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.89 1dk2 s LYS 3 Cb 0.00 0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 1dk2 s LYS 3 CO 0.00 -0.03 0.00 -2.13 -0.36 0.00 0.00 175.35 172.83 1dk2 n ARG 4 N 3.00 -3.40 -3.62 4.03 3.00 -1.26 -5.08 116.66 113.34 1dk2 n ARG 4 Ca -0.13 2.67 -0.02 0.00 -0.00 0.00 0.00 57.85 60.37 1dk2 n ARG 4 Cb 0.58 -3.46 -0.02 0.00 0.00 0.00 0.00 32.46 29.56 1dk2 n ARG 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 1dk2 s LYS 5 N -4.93 0.16 0.88 -0.14 -2.85 -1.26 -5.17 119.74 106.42 1dk2 s LYS 5 Ca 0.00 -0.06 -0.12 0.00 -1.00 0.00 0.00 55.97 54.78 1dk2 s LYS 5 Cb 0.00 0.07 0.12 0.00 -2.06 0.00 0.00 37.83 35.96 1dk2 s LYS 5 CO 0.00 -0.07 1.16 0.00 0.10 0.00 0.00 175.35 176.54 1dk2 s ALA 6 N -2.21 2.15 -1.22 0.59 0.00 -1.26 -4.96 121.76 114.85 1dk2 s ALA 6 Ca 0.11 -0.61 -0.16 0.00 0.00 0.00 0.00 51.96 51.30 1dk2 s ALA 6 Cb -0.00 -2.99 0.13 0.00 0.00 0.00 0.00 23.12 20.26 1dk2 s ALA 6 CO -0.04 -2.06 1.53 -1.25 0.00 0.00 0.00 175.76 173.94 1dk2 s PRO 7 N -5.44 4.02 -1.10 0.00 0.04 -1.26 -4.95 135.00 126.32 1dk2 s PRO 7 Ca 0.64 -2.30 -0.18 0.00 0.04 0.00 0.00 61.00 59.20 1dk2 s PRO 7 Cb -0.13 -5.23 0.12 0.00 0.04 0.00 0.00 34.50 29.30 1dk2 s PRO 7 CO 0.51 -1.95 1.38 -0.65 0.04 0.00 0.00 177.00 176.34 1dk2 s GLN 8 N 2.64 3.82 -0.06 4.56 -0.21 -1.26 -4.95 119.66 124.21 1dk2 s GLN 8 Ca 0.46 -1.96 0.01 0.00 0.02 0.00 0.00 55.36 53.89 1dk2 s GLN 8 Cb -0.00 -5.14 0.02 0.00 1.00 0.00 0.00 33.01 28.88 1dk2 s GLN 8 CO 0.02 -1.92 -0.08 -1.21 -2.12 0.00 0.00 175.29 169.97 1dk2 s GLU 9 N 2.96 1.31 -0.81 2.91 2.02 -1.26 -5.06 118.70 120.78 1dk2 s GLU 9 Ca 0.42 -0.26 0.02 0.00 0.02 0.00 0.00 54.97 55.16 1dk2 s GLU 9 Cb -0.02 -1.18 0.30 0.00 0.10 0.00 0.00 34.13 33.33 1dk2 s GLU 9 CO -0.04 -0.05 1.19 0.25 0.02 0.00 0.00 175.26 176.64 1dk2 n THR 10 N 4.02 4.01 0.00 3.63 -2.24 -1.26 -4.76 114.28 117.69 1dk2 n THR 10 Ca -0.23 -5.64 0.00 0.00 -2.27 0.00 0.00 64.05 55.91 1dk2 n THR 10 Cb 0.51 -1.80 0.00 0.00 -2.10 0.00 0.00 70.33 66.94 1dk2 n THR 10 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1dk2 n LEU 11 N 0.48 0.00 -2.29 3.22 7.99 -1.26 -4.79 117.00 120.35 1dk2 n LEU 11 Ca 0.33 0.00 -0.32 0.00 -0.01 0.00 0.00 56.01 56.01 1dk2 n LEU 11 Cb 0.36 -0.21 0.05 0.00 -0.11 0.00 0.00 43.42 43.51 1dk2 n LEU 11 CO 0.49 -0.43 1.00 0.59 -1.51 0.00 0.00 177.39 177.53 1dk2 n ASN 12 N -2.33 6.68 -0.00 -1.43 4.13 -1.26 -4.64 115.26 116.41 1dk2 n ASN 12 Ca 0.00 -3.78 0.16 0.00 1.68 0.00 0.00 54.58 52.64 1dk2 n ASN 12 Cb 0.00 -0.76 0.94 0.00 -1.54 0.00 0.00 39.78 38.42 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 -0.80 -1.00 0.13 7.41 0.00 -1.26 -3.31 105.19 106.36 1dk2 n GLY 13 Ca 0.55 -0.20 -0.22 0.00 0.00 0.00 0.00 46.02 46.16 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 0.99 -0.60 0.32 -0.02 0.00 -1.26 -3.46 105.19 101.16 1dk2 n GLY 14 Ca 0.24 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.18 0.23 -0.77 -0.61 2.04 -1.94 -2.99 117.51 113.30 1dk2 h ILE 15 Ca -0.43 -0.40 0.21 0.00 1.00 0.00 0.00 64.86 65.24 1dk2 h ILE 15 Cb 1.87 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 1dk2 h ILE 15 CO 0.00 0.04 0.54 0.00 0.00 0.00 0.00 178.15 178.73 1dk2 h THR 16 N -1.08 0.65 -0.03 -0.27 1.03 -1.76 0.31 112.91 111.76 1dk2 h THR 16 Ca -0.08 -0.03 -0.04 0.00 -0.01 0.00 0.00 66.41 66.25 1dk2 h THR 16 Cb 0.64 0.55 -0.01 0.00 -1.07 0.00 0.00 68.15 68.26 1dk2 h THR 16 CO 0.13 0.02 -0.17 -0.78 -0.01 0.00 0.00 175.52 174.70 1dk2 h ASP 17 N 0.09 0.04 0.90 0.00 3.58 -1.55 0.45 116.42 119.93 1dk2 h ASP 17 Ca 0.37 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.77 1dk2 h ASP 17 Cb 1.34 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.37 1dk2 h ASP 17 CO -0.04 0.22 -1.13 0.80 -2.88 0.00 0.00 179.24 176.22 1dk2 n MET 18 N -4.31 0.61 0.02 0.28 1.56 0.10 -2.76 117.12 112.62 1dk2 n MET 18 Ca -0.02 0.14 -0.14 0.00 -0.27 0.00 0.00 57.70 57.41 1dk2 n MET 18 Cb 0.25 -1.82 -0.14 0.00 2.15 0.00 0.00 33.22 33.67 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 0.22 -0.18 -0.89 4.07 -0.71 -3.12 115.31 114.69 1dk2 h LEU 19 Ca -0.04 -0.38 -0.22 0.00 0.08 0.00 0.00 57.88 57.32 1dk2 h LEU 19 Cb 1.14 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.81 1dk2 h LEU 19 CO 0.01 1.33 -0.93 0.58 -1.08 0.00 0.00 178.44 178.34 1dk2 h VAL 20 N 0.04 1.40 0.67 1.22 2.07 -0.27 -0.86 116.25 120.52 1dk2 h VAL 20 Ca -0.27 -2.43 -0.03 0.00 0.82 0.00 0.00 66.70 64.78 1dk2 h VAL 20 Cb 2.00 2.40 0.01 0.00 -1.52 0.00 0.00 31.29 34.18 1dk2 h VAL 20 CO 0.11 0.73 -0.32 -0.08 0.02 0.00 0.00 177.57 178.03 1dk2 h GLU 21 N 0.23 -0.86 -0.33 1.57 4.81 -1.64 -2.73 114.58 115.62 1dk2 h GLU 21 Ca -0.08 0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1dk2 h GLU 21 Cb 1.57 0.20 -0.02 0.00 0.63 0.00 0.00 28.75 31.13 1dk2 h GLU 21 CO 0.16 -0.58 0.14 1.37 -0.73 0.00 0.00 179.01 179.37 1dk2 h LEU 22 N -1.14 0.42 -0.91 1.64 8.10 -1.66 -2.11 115.31 119.65 1dk2 h LEU 22 Ca -0.09 -0.04 0.16 0.00 0.11 0.00 0.00 57.88 58.02 1dk2 h LEU 22 Cb 0.69 -0.11 -0.10 0.00 -0.44 0.00 0.00 40.66 40.70 1dk2 h LEU 22 CO 0.15 0.38 0.50 0.00 -4.11 0.00 0.00 178.44 175.36 1dk2 h ALA 23 N 1.69 1.41 -0.52 0.17 0.00 -1.05 0.53 119.26 121.49 1dk2 h ALA 23 Ca 0.12 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1dk2 h ALA 23 Cb 0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1dk2 h ALA 23 CO -0.01 -0.07 0.10 -0.91 0.00 0.00 0.00 179.25 178.36 1dk2 h ASN 24 N 0.68 0.76 0.33 0.00 2.35 -1.07 -0.71 115.58 117.92 1dk2 h ASN 24 Ca 0.50 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 56.09 1dk2 h ASN 24 Cb 0.73 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.90 1dk2 h ASN 24 CO -0.37 0.77 -0.06 0.15 -1.65 0.00 0.00 177.43 176.27 1dk2 h PHE 25 N 0.78 0.00 0.11 1.19 3.57 0.09 0.45 116.94 123.13 1dk2 h PHE 25 Ca 0.17 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 1dk2 h PHE 25 Cb 0.33 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1dk2 h PHE 25 CO 0.02 0.06 -0.05 0.93 -2.23 0.00 0.00 178.31 177.04 1dk2 h GLU 26 N 0.00 -0.14 -0.47 1.11 4.39 0.00 -2.96 114.58 116.51 1dk2 h GLU 26 Ca -0.00 0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.58 1dk2 h GLU 26 Cb 0.24 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1dk2 h GLU 26 CO 0.01 0.15 -0.22 -0.22 -1.16 0.00 0.00 179.01 177.57 1dk2 h LYS 27 N -1.00 0.98 -0.11 2.33 3.64 -1.38 -2.58 116.57 118.45 1dk2 h LYS 27 Ca -0.01 -0.42 0.03 0.00 -1.27 0.00 0.00 60.65 58.97 1dk2 h LYS 27 Cb 0.36 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1dk2 h LYS 27 CO 0.02 1.10 0.12 -0.91 -2.27 0.00 0.00 179.45 177.51 1dk2 h ASN 28 N 0.83 0.00 -3.26 4.20 4.21 -0.23 -3.41 115.58 117.92 1dk2 h ASN 28 Ca 0.11 0.00 -0.47 0.00 1.21 0.00 0.00 56.30 57.15 1dk2 h ASN 28 Cb 0.80 0.00 0.04 0.00 -1.12 0.00 0.00 38.32 38.04 1dk2 h ASN 28 CO 0.07 0.00 0.06 -0.69 -1.29 0.00 0.00 177.43 175.57 1dk2 s VAL 29 N -4.64 3.89 0.00 2.81 1.01 -0.97 -5.05 120.40 117.45 1dk2 s VAL 29 Ca -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1dk2 s VAL 29 Cb 0.15 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1dk2 s VAL 29 CO 0.55 -0.44 0.14 -0.24 0.00 0.00 0.00 175.10 175.11 1dk2 n SER 30 N -2.35 0.00 -3.48 3.32 2.88 -1.26 -4.26 113.62 108.48 1dk2 n SER 30 Ca 0.03 0.57 -0.40 0.00 -1.33 0.00 0.00 58.87 57.74 1dk2 n SER 30 Cb 0.57 -0.50 -0.01 0.00 -0.75 0.00 0.00 64.21 63.52 1dk2 n SER 30 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1dk2 n GLN 31 N -1.99 3.93 -2.78 -1.46 -0.06 -1.26 -4.43 117.38 109.33 1dk2 n GLN 31 Ca 0.00 -2.85 -0.10 0.00 -2.00 0.00 0.00 57.00 52.05 1dk2 n GLN 31 Cb 0.00 -2.81 0.06 0.00 -4.06 0.00 0.00 30.24 23.44 1dk2 n GLN 31 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1dk2 n ALA 32 N 3.20 1.56 -0.10 1.69 0.00 -1.26 -4.92 120.51 120.69 1dk2 n ALA 32 Ca 0.66 -2.22 -0.09 0.00 0.00 0.00 0.00 53.44 51.78 1dk2 n ALA 32 Cb 0.27 -1.00 -0.16 0.00 0.00 0.00 0.00 19.45 18.56 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 -0.09 1.33 -0.03 0.00 0.13 -1.26 -3.38 119.36 116.06 1dk2 n ILE 33 Ca 0.07 -0.84 -0.12 0.00 -1.10 0.00 0.00 62.75 60.77 1dk2 n ILE 33 Cb 0.78 -0.45 -0.06 0.00 -0.84 0.00 0.00 39.64 39.06 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 0.20 0.00 9.51 2.07 -1.95 -2.40 115.15 122.58 1dk2 h HIS 34 Ca -0.53 -0.02 -0.03 0.00 -2.85 0.00 0.00 60.37 56.94 1dk2 h HIS 34 Cb 2.20 -0.06 -0.00 0.00 2.57 0.00 0.00 27.41 32.12 1dk2 h HIS 34 CO 0.00 0.36 -0.14 1.57 -3.07 0.00 0.00 177.93 176.64 1dk2 h LYS 35 N -0.02 0.00 0.16 5.12 -0.00 -1.96 -3.19 116.57 116.69 1dk2 h LYS 35 Ca 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.68 1dk2 h LYS 35 Cb 0.26 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.49 1dk2 h LYS 35 CO 0.00 0.14 -0.14 -0.92 -0.00 0.00 0.00 179.45 178.53 1dk2 h TYR 36 N 0.00 -0.39 -0.13 0.07 3.20 -1.48 -1.71 116.97 116.52 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 0.63 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 1dk2 h TYR 36 CO 0.00 -0.19 0.24 -0.91 -1.64 0.00 0.00 178.16 175.66 1dk2 h ASN 37 N -0.30 0.00 0.36 -2.11 2.35 -1.61 -0.42 115.58 113.86 1dk2 h ASN 37 Ca -0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1dk2 h ASN 37 Cb 0.25 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1dk2 h ASN 37 CO -0.01 0.00 -0.33 0.00 -1.65 0.00 0.00 177.43 175.45 1dk2 h ALA 38 N 1.65 -1.04 0.00 -0.83 0.00 -1.30 0.11 119.26 117.85 1dk2 h ALA 38 Ca 0.06 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1dk2 h ALA 38 Cb 0.54 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1dk2 h ALA 38 CO -0.00 -1.05 -0.65 1.88 0.00 0.00 0.00 179.25 179.43 1dk2 h TYR 39 N -0.68 0.00 -0.64 0.00 -1.99 -1.31 -2.41 116.97 109.95 1dk2 h TYR 39 Ca -0.05 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.64 1dk2 h TYR 39 Cb 0.58 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.28 1dk2 h TYR 39 CO -0.16 0.65 0.23 -0.09 -0.00 0.00 0.00 178.16 178.79 1dk2 h ARG 40 N 0.00 0.95 0.04 4.88 1.12 -0.98 0.38 114.38 120.77 1dk2 h ARG 40 Ca -0.01 -0.17 -0.12 0.00 -1.11 0.00 0.00 59.98 58.58 1dk2 h ARG 40 Cb 1.46 -0.16 -0.00 0.00 -0.01 0.00 0.00 29.97 31.26 1dk2 h ARG 40 CO 0.08 0.79 -0.59 -0.22 -3.11 0.00 0.00 179.97 176.93 1dk2 h LYS 41 N 0.93 0.08 0.00 0.20 1.63 -0.99 -2.95 116.57 115.47 1dk2 h LYS 41 Ca 0.21 -0.14 -0.02 0.00 -0.85 0.00 0.00 60.65 59.86 1dk2 h LYS 41 Cb 0.22 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.90 1dk2 h LYS 41 CO -0.01 1.07 -0.10 0.00 -3.45 0.00 0.00 179.45 176.95 1dk2 h ALA 42 N -0.10 1.60 0.03 5.00 0.00 -1.34 -0.82 119.26 123.64 1dk2 h ALA 42 Ca -0.14 -0.09 -0.25 0.00 0.00 0.00 0.00 54.91 54.44 1dk2 h ALA 42 Cb 1.27 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.05 1dk2 h ALA 42 CO -0.01 0.12 -1.03 0.00 0.00 0.00 0.00 179.25 178.33 1dk2 h ALA 43 N 1.90 0.24 -0.13 0.00 0.00 -0.32 -2.30 119.26 118.65 1dk2 h ALA 43 Ca -0.00 -0.73 -0.12 0.00 0.00 0.00 0.00 54.91 54.05 1dk2 h ALA 43 Cb 0.20 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1dk2 h ALA 43 CO 0.01 0.79 -0.40 0.77 0.00 0.00 0.00 179.25 180.42 1dk2 h SER 44 N 0.25 0.57 -0.32 0.00 0.02 -1.20 0.33 113.55 113.21 1dk2 h SER 44 Ca -0.11 -0.60 -0.08 0.00 -0.84 0.00 0.00 61.79 60.16 1dk2 h SER 44 Cb 1.68 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 64.04 1dk2 h SER 44 CO 0.19 1.07 -0.09 1.62 -1.14 0.00 0.00 176.83 178.48 1dk2 h VAL 45 N 0.10 1.25 0.00 2.27 3.04 -1.26 0.84 116.25 122.50 1dk2 h VAL 45 Ca -0.01 -1.11 -0.16 0.00 -1.01 0.00 0.00 66.70 64.41 1dk2 h VAL 45 Cb 1.02 1.03 -0.02 0.00 -2.01 0.00 0.00 31.29 31.30 1dk2 h VAL 45 CO 0.08 0.38 -0.98 0.40 -1.01 0.00 0.00 177.57 176.44 1dk2 h ILE 46 N 0.67 0.89 0.00 3.17 2.04 -1.41 -3.13 117.51 119.73 1dk2 h ILE 46 Ca 0.12 -2.39 -0.17 0.00 1.00 0.00 0.00 64.86 63.41 1dk2 h ILE 46 Cb 0.54 2.37 -0.03 0.00 -0.74 0.00 0.00 36.82 38.96 1dk2 h ILE 46 CO 0.03 0.51 -1.33 0.00 0.00 0.00 0.00 178.15 177.36 1dk2 h ALA 47 N 1.35 0.66 -0.53 1.87 0.00 -0.11 -3.32 119.26 119.18 1dk2 h ALA 47 Ca -0.08 -0.87 -0.02 0.00 0.00 0.00 0.00 54.91 53.95 1dk2 h ALA 47 Cb 1.57 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 1dk2 h ALA 47 CO 0.07 0.96 0.02 1.17 0.00 0.00 0.00 179.25 181.48 1dk2 n LYS 48 N -2.95 4.45 -3.58 0.00 4.81 0.29 -4.92 118.16 116.26 1dk2 n LYS 48 Ca -0.09 -2.84 -0.37 0.00 -0.87 0.00 0.00 58.31 54.14 1dk2 n LYS 48 Cb 0.85 -2.19 -0.06 0.00 0.02 0.00 0.00 35.03 33.65 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 -2.61 3.64 -1.70 5.64 5.04 -1.18 -4.97 117.35 121.21 1dk2 s TYR 49 Ca 0.49 0.82 0.07 0.00 -2.44 0.00 0.00 57.07 56.01 1dk2 s TYR 49 Cb 0.38 -2.24 0.22 0.00 0.35 0.00 0.00 41.96 40.67 1dk2 s TYR 49 CO 0.14 0.57 1.11 -0.35 -1.34 0.00 0.00 175.55 175.68 1dk2 n PRO 50 N 2.27 1.72 -1.98 4.97 -0.04 -1.26 -4.85 135.00 135.82 1dk2 n PRO 50 Ca -0.14 -0.90 -0.02 0.00 -0.04 0.00 0.00 63.50 62.40 1dk2 n PRO 50 Cb 0.53 -1.32 -0.01 0.00 -0.04 0.00 0.00 33.50 32.66 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 0.20 -0.58 -4.29 0.54 8.25 -1.26 -5.10 115.22 112.97 1dk2 n HIS 51 Ca 0.08 -0.39 -0.24 0.00 -0.26 0.00 0.00 57.72 56.91 1dk2 n HIS 51 Cb 0.29 0.09 -0.13 0.00 1.12 0.00 0.00 29.99 31.36 1dk2 n HIS 51 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1dk2 s LYS 52 N -2.13 1.13 0.21 -0.41 -2.85 -1.26 -4.62 119.74 109.80 1dk2 s LYS 52 Ca 0.05 -1.16 0.05 0.00 -1.00 0.00 0.00 55.97 53.90 1dk2 s LYS 52 Cb -0.00 -1.40 -0.03 0.00 -2.06 0.00 0.00 37.83 34.33 1dk2 s LYS 52 CO 0.03 0.33 0.29 0.96 0.10 0.00 0.00 175.35 177.06 1dk2 s ILE 53 N -1.15 5.08 -0.06 3.79 -4.36 -1.26 -5.03 121.20 118.21 1dk2 s ILE 53 Ca 0.07 -0.97 0.04 0.00 -0.26 0.00 0.00 60.65 59.53 1dk2 s ILE 53 Cb -0.10 -3.70 -0.07 0.00 1.25 0.00 0.00 42.46 39.84 1dk2 s ILE 53 CO 0.04 -0.24 0.00 0.29 0.24 0.00 0.00 174.94 175.27 1dk2 n LYS 54 N -1.02 2.38 -4.48 0.37 4.76 -1.26 -5.05 118.16 113.86 1dk2 n LYS 54 Ca -0.08 0.01 -0.26 0.00 -2.87 0.00 0.00 58.31 55.10 1dk2 n LYS 54 Cb 0.56 -1.16 -0.10 0.00 -1.84 0.00 0.00 35.03 32.50 1dk2 n LYS 54 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1dk2 s SER 55 N -3.97 3.97 0.31 4.39 0.01 -1.26 -4.96 113.70 112.19 1dk2 s SER 55 Ca -0.05 -1.21 0.10 0.00 1.31 0.00 0.00 55.95 56.10 1dk2 s SER 55 Cb 0.02 -0.42 0.51 0.00 0.21 0.00 0.00 66.02 66.34 1dk2 s SER 55 CO 0.23 -0.35 1.71 1.23 0.41 0.00 0.00 173.24 176.47 1dk2 h GLY 56 N 1.80 0.06 1.94 3.44 0.00 -1.92 -2.72 103.07 105.68 1dk2 h GLY 56 Ca -0.43 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 1dk2 h GLY 56 CO 0.74 0.06 -0.06 0.00 0.00 0.00 0.00 176.54 177.27 1dk2 h ALA 57 N 1.46 1.80 0.00 3.60 0.00 -1.95 -0.76 119.26 123.41 1dk2 h ALA 57 Ca -0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1dk2 h ALA 57 Cb 0.88 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1dk2 h ALA 57 CO 0.07 0.15 -0.18 0.93 0.00 0.00 0.00 179.25 180.22 1dk2 h GLU 58 N 0.07 0.00 0.03 0.00 5.08 -1.89 -2.42 114.58 115.45 1dk2 h GLU 58 Ca 0.02 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.15 1dk2 h GLU 58 Cb 0.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1dk2 h GLU 58 CO 0.01 0.18 -1.11 0.00 -1.00 0.00 0.00 179.01 177.09 1dk2 h ALA 59 N 1.82 0.33 -0.11 3.43 0.00 -1.23 -3.29 119.26 120.21 1dk2 h ALA 59 Ca -0.00 -0.95 -0.22 0.00 0.00 0.00 0.00 54.91 53.74 1dk2 h ALA 59 Cb 0.55 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1dk2 h ALA 59 CO 0.02 1.22 -0.78 0.87 0.00 0.00 0.00 179.25 180.58 1dk2 h LYS 60 N 0.02 0.73 -0.05 0.00 1.57 -1.26 -3.12 116.57 114.45 1dk2 h LYS 60 Ca -0.06 -0.64 0.02 0.00 -1.87 0.00 0.00 60.65 58.10 1dk2 h LYS 60 Cb 1.83 0.14 -0.00 0.00 0.08 0.00 0.00 32.23 34.29 1dk2 h LYS 60 CO 0.14 1.24 0.05 1.57 -0.57 0.00 0.00 179.45 181.88 1dk2 h LYS 61 N 0.43 0.00 -7.06 3.15 2.10 -1.54 -3.43 116.57 110.23 1dk2 h LYS 61 Ca -0.07 0.00 -0.49 0.00 -2.00 0.00 0.00 60.65 58.09 1dk2 h LYS 61 Cb 1.42 0.00 0.05 0.00 -0.90 0.00 0.00 32.23 32.80 1dk2 h LYS 61 CO 0.16 0.00 0.42 -0.51 -2.00 0.00 0.00 179.45 177.52 1dk2 s LEU 62 N -8.22 3.86 -0.23 7.07 1.43 -1.18 -4.97 118.68 116.43 1dk2 s LEU 62 Ca -0.05 2.10 -0.29 0.00 -1.03 0.00 0.00 54.13 54.86 1dk2 s LEU 62 Cb 0.16 -4.49 -0.00 0.00 0.03 0.00 0.00 46.19 41.89 1dk2 s LEU 62 CO 0.60 -0.96 1.19 -2.16 0.23 0.00 0.00 176.35 175.25 1dk2 s PRO 63 N -3.11 4.15 0.00 1.29 0.04 -1.26 -3.34 135.00 132.78 1dk2 s PRO 63 Ca 0.68 1.42 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1dk2 s PRO 63 Cb -0.22 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.57 1dk2 s PRO 63 CO 0.26 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 176.91 1dk2 n GLY 64 N 3.71 1.21 3.81 0.56 0.00 -1.26 -4.51 105.19 108.72 1dk2 n GLY 64 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.08 4.79 0.00 1.61 1.01 -1.21 -3.02 120.40 122.50 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 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1dk2 n GLY 66 N 1.77 2.94 0.09 4.51 0.00 -1.26 -4.86 105.19 108.38 1dk2 n GLY 66 Ca -0.11 -1.88 -0.08 0.00 0.00 0.00 0.00 46.02 43.95 1dk2 n GLY 66 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1dk2 n THR 67 N 0.00 1.29 0.03 2.61 5.66 -1.26 -3.52 114.28 119.09 1dk2 n THR 67 Ca 0.00 -0.83 -0.04 0.00 -3.05 0.00 0.00 64.05 60.13 1dk2 n THR 67 Cb 0.00 -0.45 -0.02 0.00 -1.55 0.00 0.00 70.33 68.31 1dk2 n THR 67 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1dk2 h LYS 68 N 0.00 -0.17 -0.22 1.09 1.57 -2.00 -2.94 116.57 113.90 1dk2 h LYS 68 Ca -0.50 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.27 1dk2 h LYS 68 Cb 2.14 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 34.48 1dk2 h LYS 68 CO 0.03 -0.06 0.04 0.82 -0.57 0.00 0.00 179.45 179.71 1dk2 h ILE 69 N -1.04 1.12 -0.81 1.86 1.08 -1.91 -1.73 117.51 116.09 1dk2 h ILE 69 Ca -0.02 -0.44 -0.01 0.00 -0.39 0.00 0.00 64.86 64.00 1dk2 h ILE 69 Cb 0.19 0.91 -0.04 0.00 -3.07 0.00 0.00 36.82 34.82 1dk2 h ILE 69 CO 0.03 0.15 0.46 0.00 -0.69 0.00 0.00 178.15 178.10 1dk2 h ALA 70 N 1.73 1.29 -0.82 1.87 0.00 -1.65 -1.65 119.26 120.03 1dk2 h ALA 70 Ca 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1dk2 h ALA 70 Cb 0.15 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1dk2 h ALA 70 CO -0.00 0.59 0.45 0.93 0.00 0.00 0.00 179.25 181.22 1dk2 h GLU 71 N 1.12 1.14 -0.06 0.00 4.39 -1.12 -1.06 114.58 118.99 1dk2 h GLU 71 Ca 0.29 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.84 1dk2 h GLU 71 Cb -0.00 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.41 1dk2 h GLU 71 CO -0.05 0.83 -0.08 -0.22 -1.16 0.00 0.00 179.01 178.33 1dk2 h LYS 72 N 1.15 0.09 -0.43 2.33 3.64 -1.19 -2.15 116.57 120.00 1dk2 h LYS 72 Ca 0.29 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.63 1dk2 h LYS 72 Cb 0.02 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1dk2 h LYS 72 CO -0.05 0.18 0.16 0.82 -2.27 0.00 0.00 179.45 178.29 1dk2 h ILE 73 N 0.09 1.21 -0.96 2.00 1.08 -0.83 -2.55 117.51 117.54 1dk2 h ILE 73 Ca 0.02 -0.66 0.09 0.00 -0.39 0.00 0.00 64.86 63.92 1dk2 h ILE 73 Cb 0.20 0.83 -0.08 0.00 -3.07 0.00 0.00 36.82 34.71 1dk2 h ILE 73 CO 0.01 0.24 0.60 0.44 -0.69 0.00 0.00 178.15 178.75 1dk2 h ASP 74 N 0.56 0.91 0.01 1.72 3.32 -1.23 0.12 116.42 121.83 1dk2 h ASP 74 Ca 0.14 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 1dk2 h ASP 74 Cb 0.22 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1dk2 h ASP 74 CO -0.01 0.53 -0.07 -0.08 -1.72 0.00 0.00 179.24 177.90 1dk2 h GLU 75 N 1.02 0.15 0.13 3.56 4.81 -1.34 0.44 114.58 123.34 1dk2 h GLU 75 Ca 0.45 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.65 1dk2 h GLU 75 Cb 0.34 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1dk2 h GLU 75 CO -0.23 0.23 -0.06 0.74 -0.73 0.00 0.00 179.01 178.97 1dk2 h PHE 76 N 0.15 -0.16 0.00 0.92 0.04 -0.50 -2.84 116.94 114.55 1dk2 h PHE 76 Ca 0.03 -0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.74 1dk2 h PHE 76 Cb 0.22 0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 1dk2 h PHE 76 CO 0.00 0.20 -0.27 -0.07 -0.60 0.00 0.00 178.31 177.57 1dk2 h LEU 77 N -0.54 0.00 0.00 1.54 -0.00 -1.08 -3.35 115.31 111.89 1dk2 h LEU 77 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1dk2 h LEU 77 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.09 1dk2 h LEU 77 CO 0.03 0.27 0.00 0.00 -0.00 0.00 0.00 178.44 178.74 1dk2 n ALA 78 N -2.22 0.00 0.00 1.53 0.00 0.15 -4.86 120.51 115.10 1dk2 n ALA 78 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1dk2 n ALA 78 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1dk2 n ALA 78 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1dk2 n THR 79 N -0.50 0.00 0.00 0.00 5.66 -1.19 -5.06 114.28 113.19 1dk2 n THR 79 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1dk2 n THR 79 Cb 0.00 -0.52 0.00 0.00 -1.55 0.00 0.00 70.33 68.26 1dk2 n THR 79 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1dk2 n GLY 80 N 2.39 1.46 3.69 1.09 0.00 -1.08 -5.02 105.19 107.72 1dk2 n GLY 80 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.16 4.10 -0.81 1.61 1.02 -1.26 -5.01 119.74 119.24 1dk2 s LYS 81 Ca 0.00 -0.26 0.02 0.00 0.02 0.00 0.00 55.97 55.75 1dk2 s LYS 81 Cb 0.00 -3.40 0.33 0.00 -0.52 0.00 0.00 37.83 34.24 1dk2 s LYS 81 CO 0.00 0.23 1.37 1.28 -0.92 0.00 0.00 175.35 177.31 1dk2 n LEU 82 N 3.71 5.87 -4.89 3.17 4.77 -1.26 -4.98 117.00 123.40 1dk2 n LEU 82 Ca -0.16 -5.53 -0.36 0.00 -0.03 0.00 0.00 56.01 49.93 1dk2 n LEU 82 Cb 0.52 -0.87 -0.06 0.00 -2.33 0.00 0.00 43.42 40.69 1dk2 n LEU 82 CO 0.36 2.19 -0.17 -0.60 -1.33 0.00 0.00 177.39 177.84 1dk2 s ARG 83 N -3.83 3.44 0.01 3.23 3.52 -1.26 -5.09 118.95 118.98 1dk2 s ARG 83 Ca 0.44 -0.17 -0.28 0.00 -0.13 0.00 0.00 55.73 55.58 1dk2 s ARG 83 Cb 0.23 -3.17 0.09 0.00 -1.56 0.00 0.00 34.95 30.54 1dk2 s ARG 83 CO -0.12 0.75 0.78 0.21 -0.81 0.00 0.00 175.30 176.11 1dk2 s LYS 84 N -1.26 0.97 -0.09 5.12 2.20 -1.26 -5.14 119.74 120.29 1dk2 s LYS 84 Ca 0.18 -0.18 -0.27 0.00 -0.36 0.00 0.00 55.97 55.34 1dk2 s LYS 84 Cb -0.12 0.45 -0.02 0.00 -1.51 0.00 0.00 37.83 36.62 1dk2 s LYS 84 CO 0.08 -0.39 0.86 -0.51 -0.36 0.00 0.00 175.35 175.03 1dk2 s LEU 85 N -2.13 4.28 -0.21 5.43 2.01 -1.26 -4.95 118.68 121.85 1dk2 s LEU 85 Ca -0.00 1.36 -0.21 0.00 0.01 0.00 0.00 54.13 55.29 1dk2 s LEU 85 Cb -0.01 -3.33 -0.19 0.00 0.01 0.00 0.00 46.19 42.68 1dk2 s LEU 85 CO -0.05 -0.29 0.16 1.21 1.01 0.00 0.00 176.35 178.39 1dk2 n GLU 86 N 4.44 0.57 0.00 1.70 2.13 -1.26 -5.36 120.64 122.86 1dk2 n GLU 86 Ca 0.04 0.55 0.15 0.00 0.66 0.00 0.00 57.16 58.56 1dk2 n GLU 86 Cb 0.50 -1.72 0.80 0.00 0.27 0.00 0.00 31.44 31.29 1dk2 n GLU 86 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35