#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 2.28 -0.44 -1.46 2.36 -1.26 -5.07 119.74 116.15 1dk2 s LYS 3 Ca 0.00 -0.66 0.02 0.00 -2.55 0.00 0.00 55.97 52.78 1dk2 s LYS 3 Cb 0.00 -2.22 0.14 0.00 -1.05 0.00 0.00 37.83 34.69 1dk2 s LYS 3 CO 0.00 -0.29 0.24 1.03 1.55 0.00 0.00 175.35 177.89 1dk2 s ARG 4 N 1.45 1.27 -0.08 4.03 1.81 -1.26 -4.86 118.95 121.30 1dk2 s ARG 4 Ca 0.03 -2.00 0.03 0.00 -1.72 0.00 0.00 55.73 52.07 1dk2 s ARG 4 Cb -0.14 -2.30 0.10 0.00 -0.45 0.00 0.00 34.95 32.16 1dk2 s ARG 4 CO -0.10 -1.17 0.71 1.17 -0.68 0.00 0.00 175.30 175.23 1dk2 n LYS 5 N 3.53 0.33 -1.62 3.54 4.81 -1.26 -5.15 118.16 122.34 1dk2 n LYS 5 Ca 0.09 -0.41 -0.29 0.00 -0.87 0.00 0.00 58.31 56.83 1dk2 n LYS 5 Cb 0.35 0.26 0.10 0.00 0.02 0.00 0.00 35.03 35.76 1dk2 n LYS 5 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1dk2 s ALA 6 N 0.03 2.20 0.23 3.14 0.00 -1.26 -5.04 121.76 121.06 1dk2 s ALA 6 Ca 0.02 -0.38 -0.18 0.00 0.00 0.00 0.00 51.96 51.43 1dk2 s ALA 6 Cb 0.11 -3.06 -0.08 0.00 0.00 0.00 0.00 23.12 20.09 1dk2 s ALA 6 CO -0.03 -1.85 0.70 -1.25 0.00 0.00 0.00 175.76 173.33 1dk2 s PRO 7 N -5.26 4.17 -0.31 0.00 0.04 -1.26 -5.05 135.00 127.32 1dk2 s PRO 7 Ca 0.62 0.78 -0.21 0.00 0.04 0.00 0.00 61.00 62.22 1dk2 s PRO 7 Cb -0.14 -2.81 -0.00 0.00 0.04 0.00 0.00 34.50 31.59 1dk2 s PRO 7 CO 0.53 0.37 0.68 -1.14 0.04 0.00 0.00 177.00 177.47 1dk2 s GLN 8 N -2.15 3.88 -0.00 4.56 2.00 -1.26 -5.02 119.66 121.67 1dk2 s GLN 8 Ca 0.44 0.34 -0.23 0.00 -2.00 0.00 0.00 55.36 53.91 1dk2 s GLN 8 Cb -0.15 -3.74 0.05 0.00 0.80 0.00 0.00 33.01 29.96 1dk2 s GLN 8 CO 0.20 -0.63 0.51 -1.83 -0.50 0.00 0.00 175.29 173.04 1dk2 s GLU 9 N 2.74 0.94 -0.16 1.67 -1.05 -1.26 -5.06 118.70 116.52 1dk2 s GLU 9 Ca 0.27 -0.07 0.17 0.00 -0.15 0.00 0.00 54.97 55.20 1dk2 s GLU 9 Cb -0.15 0.43 0.44 0.00 -0.44 0.00 0.00 34.13 34.42 1dk2 s GLU 9 CO 0.13 -0.30 1.18 0.25 0.95 0.00 0.00 175.26 177.46 1dk2 n THR 10 N 0.81 1.36 0.00 1.83 -2.24 -1.26 -4.68 114.28 110.10 1dk2 n THR 10 Ca -0.19 -2.59 0.00 0.00 -2.27 0.00 0.00 64.05 59.00 1dk2 n THR 10 Cb 0.58 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 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 -0.42 0.00 -2.49 3.22 7.99 -1.26 -4.89 117.00 119.15 1dk2 n LEU 11 Ca 0.17 0.00 -0.12 0.00 -0.01 0.00 0.00 56.01 56.05 1dk2 n LEU 11 Cb 0.91 -0.21 0.03 0.00 -0.11 0.00 0.00 43.42 44.04 1dk2 n LEU 11 CO 0.05 -0.30 0.07 0.59 -1.51 0.00 0.00 177.39 176.29 1dk2 n ASN 12 N -2.04 3.05 -0.10 -1.43 3.02 -1.26 -4.81 115.26 111.68 1dk2 n ASN 12 Ca 0.00 -2.85 0.15 0.00 -0.03 0.00 0.00 54.58 51.85 1dk2 n ASN 12 Cb 0.00 -0.43 0.77 0.00 -0.61 0.00 0.00 39.78 39.51 1dk2 n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dk2 n GLY 13 N -0.59 -0.89 0.13 7.41 0.00 -1.26 -3.34 105.19 106.66 1dk2 n GLY 13 Ca 0.23 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 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 1.14 -0.57 0.07 -0.02 0.00 -1.26 -3.43 105.19 101.12 1dk2 n GLY 14 Ca 0.19 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.09 1.18 -0.29 -0.61 2.04 -1.95 -2.80 117.51 114.98 1dk2 h ILE 15 Ca -0.43 -0.70 0.05 0.00 1.00 0.00 0.00 64.86 64.78 1dk2 h ILE 15 Cb 1.92 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 39.62 1dk2 h ILE 15 CO 0.02 0.18 0.20 0.00 0.00 0.00 0.00 178.15 178.55 1dk2 h THR 16 N -0.36 0.93 -0.60 -0.27 1.03 -1.74 -0.43 112.91 111.46 1dk2 h THR 16 Ca -0.01 -0.05 0.00 0.00 -0.01 0.00 0.00 66.41 66.35 1dk2 h THR 16 Cb 0.33 0.77 -0.03 0.00 -1.07 0.00 0.00 68.15 68.15 1dk2 h THR 16 CO 0.01 0.03 0.39 -0.78 -0.01 0.00 0.00 175.52 175.16 1dk2 h ASP 17 N 0.14 0.70 0.91 0.00 3.58 -1.52 0.22 116.42 120.45 1dk2 h ASP 17 Ca 0.13 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.56 1dk2 h ASP 17 Cb 0.33 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.21 1dk2 h ASP 17 CO -0.02 0.51 -0.55 0.23 -2.88 0.00 0.00 179.24 176.54 1dk2 n MET 18 N -4.44 0.27 0.02 0.28 2.81 -0.25 -2.66 117.12 113.16 1dk2 n MET 18 Ca 0.06 0.09 -0.22 0.00 -1.81 0.00 0.00 57.70 55.82 1dk2 n MET 18 Cb 0.05 -1.68 -0.14 0.00 -0.71 0.00 0.00 33.22 30.73 1dk2 n MET 18 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1dk2 h LEU 19 N 0.00 0.44 -0.79 4.03 3.38 -0.35 -3.13 115.31 118.89 1dk2 h LEU 19 Ca 0.00 -0.88 -0.13 0.00 0.09 0.00 0.00 57.88 56.96 1dk2 h LEU 19 Cb 0.73 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1dk2 h LEU 19 CO 0.00 1.68 -0.55 0.58 0.09 0.00 0.00 178.44 180.24 1dk2 h VAL 20 N -0.18 1.38 0.42 1.22 2.07 -0.75 0.13 116.25 120.54 1dk2 h VAL 20 Ca -0.32 -1.88 -0.02 0.00 0.82 0.00 0.00 66.70 65.30 1dk2 h VAL 20 Cb 1.86 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 33.60 1dk2 h VAL 20 CO 0.09 0.55 -0.20 -0.08 0.02 0.00 0.00 177.57 177.94 1dk2 h GLU 21 N 0.11 -0.54 -0.33 1.57 4.81 -1.62 -2.60 114.58 115.98 1dk2 h GLU 21 Ca -0.00 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1dk2 h GLU 21 Cb 1.01 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 1dk2 h GLU 21 CO 0.08 -0.36 0.10 1.37 -0.73 0.00 0.00 179.01 179.47 1dk2 h LEU 22 N -0.71 0.42 -0.85 1.64 8.10 -1.62 -2.29 115.31 119.99 1dk2 h LEU 22 Ca -0.06 -0.05 0.15 0.00 0.11 0.00 0.00 57.88 58.04 1dk2 h LEU 22 Cb 0.43 -0.11 -0.09 0.00 -0.44 0.00 0.00 40.66 40.45 1dk2 h LEU 22 CO 0.09 0.41 0.44 0.00 -4.11 0.00 0.00 178.44 175.28 1dk2 h ALA 23 N 1.65 1.29 -0.50 0.17 0.00 -0.92 0.47 119.26 121.42 1dk2 h ALA 23 Ca 0.11 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1dk2 h ALA 23 Cb 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1dk2 h ALA 23 CO -0.01 -0.09 0.10 -0.91 0.00 0.00 0.00 179.25 178.34 1dk2 h ASN 24 N 0.62 0.72 0.32 0.00 2.35 -1.00 -0.67 115.58 117.92 1dk2 h ASN 24 Ca 0.47 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 56.08 1dk2 h ASN 24 Cb 0.67 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.85 1dk2 h ASN 24 CO -0.37 0.72 -0.05 0.15 -1.65 0.00 0.00 177.43 176.24 1dk2 h PHE 25 N 0.74 0.00 0.10 1.19 3.57 -0.04 0.45 116.94 122.95 1dk2 h PHE 25 Ca 0.16 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 1dk2 h PHE 25 Cb 0.31 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.05 1dk2 h PHE 25 CO 0.02 0.05 -0.05 0.93 -2.23 0.00 0.00 178.31 177.03 1dk2 h GLU 26 N 0.00 -0.13 -0.49 1.11 4.39 -0.08 -2.97 114.58 116.42 1dk2 h GLU 26 Ca -0.00 0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 1dk2 h GLU 26 Cb 0.23 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1dk2 h GLU 26 CO 0.01 0.12 -0.18 -0.22 -1.16 0.00 0.00 179.01 177.58 1dk2 h LYS 27 N -1.01 0.97 -0.07 2.33 3.64 -1.39 -2.50 116.57 118.55 1dk2 h LYS 27 Ca -0.01 -0.39 0.02 0.00 -1.27 0.00 0.00 60.65 58.99 1dk2 h LYS 27 Cb 0.31 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1dk2 h LYS 27 CO 0.02 1.07 0.08 -0.91 -2.27 0.00 0.00 179.45 177.43 1dk2 h ASN 28 N 0.85 0.00 -3.25 4.20 2.35 -0.23 -3.41 115.58 116.08 1dk2 h ASN 28 Ca 0.12 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.40 1dk2 h ASN 28 Cb 0.75 0.00 0.04 0.00 0.05 0.00 0.00 38.32 39.16 1dk2 h ASN 28 CO 0.06 0.00 0.05 -0.69 -1.65 0.00 0.00 177.43 175.20 1dk2 s VAL 29 N -4.66 3.89 0.00 2.81 1.01 -0.94 -5.05 120.40 117.45 1dk2 s VAL 29 Ca -0.05 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.73 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 0.56 -0.43 0.16 -0.24 0.00 0.00 0.00 175.10 175.14 1dk2 n SER 30 N -2.34 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 63.53 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 3.97 -2.78 -1.46 -0.06 -1.26 -4.43 117.38 109.38 1dk2 n GLN 31 Ca 0.00 -2.89 -0.10 0.00 -2.00 0.00 0.00 57.00 52.01 1dk2 n GLN 31 Cb 0.00 -2.79 0.06 0.00 -4.06 0.00 0.00 30.24 23.45 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 3.12 1.60 -0.10 1.69 0.00 -1.26 -4.92 120.51 120.64 1dk2 n ALA 32 Ca 0.65 -2.21 -0.10 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 -0.11 1.38 -0.03 0.00 0.13 -1.26 -3.36 119.36 116.11 1dk2 n ILE 33 Ca 0.07 -0.85 -0.12 0.00 -1.10 0.00 0.00 62.75 60.75 1dk2 n ILE 33 Cb 0.78 -0.47 -0.06 0.00 -0.84 0.00 0.00 39.64 39.05 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 0.19 0.00 9.51 2.07 -1.95 -2.30 115.15 122.67 1dk2 h HIS 34 Ca -0.55 -0.02 -0.04 0.00 -2.85 0.00 0.00 60.37 56.92 1dk2 h HIS 34 Cb 2.24 -0.06 -0.01 0.00 2.57 0.00 0.00 27.41 32.16 1dk2 h HIS 34 CO 0.00 0.32 -0.18 1.57 -3.07 0.00 0.00 177.93 176.57 1dk2 h LYS 35 N 0.01 0.00 0.13 5.12 -0.00 -1.96 -3.18 116.57 116.69 1dk2 h LYS 35 Ca 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.68 1dk2 h LYS 35 Cb 0.22 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.44 1dk2 h LYS 35 CO -0.00 0.18 -0.15 -0.92 -0.00 0.00 0.00 179.45 178.57 1dk2 h TYR 36 N 0.00 -0.40 -0.24 0.07 3.20 -1.47 -1.31 116.97 116.81 1dk2 h TYR 36 Ca -0.00 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.94 1dk2 h TYR 36 Cb 0.62 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 1dk2 h TYR 36 CO 0.00 -0.19 0.32 -0.91 -1.64 0.00 0.00 178.16 175.74 1dk2 h ASN 37 N -0.28 0.00 0.29 -2.11 2.35 -1.60 0.19 115.58 114.42 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 -0.02 0.00 -0.24 0.00 -1.65 0.00 0.00 177.43 175.52 1dk2 h ALA 38 N 1.59 -0.99 0.00 -0.83 0.00 -1.23 0.35 119.26 118.15 1dk2 h ALA 38 Ca 0.11 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 1dk2 h ALA 38 Cb 0.75 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1dk2 h ALA 38 CO -0.00 -1.00 -0.89 1.88 0.00 0.00 0.00 179.25 179.24 1dk2 h TYR 39 N -0.51 0.00 -0.25 0.00 -1.99 -1.18 -2.61 116.97 110.43 1dk2 h TYR 39 Ca -0.04 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.66 1dk2 h TYR 39 Cb 0.43 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.15 1dk2 h TYR 39 CO -0.09 0.89 0.03 -0.09 -0.00 0.00 0.00 178.16 178.90 1dk2 h ARG 40 N 0.00 0.41 -0.32 4.88 1.12 -0.61 0.41 114.38 120.27 1dk2 h ARG 40 Ca -0.01 -0.11 -0.17 0.00 -1.11 0.00 0.00 59.98 58.58 1dk2 h ARG 40 Cb 1.64 -0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 31.55 1dk2 h ARG 40 CO 0.12 0.55 -0.45 -0.22 -3.11 0.00 0.00 179.97 176.86 1dk2 h LYS 41 N 0.21 0.86 -0.43 0.20 1.63 -0.37 -2.81 116.57 115.87 1dk2 h LYS 41 Ca 0.07 -0.50 -0.14 0.00 -0.85 0.00 0.00 60.65 59.23 1dk2 h LYS 41 Cb 0.34 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.00 1dk2 h LYS 41 CO 0.01 1.14 -0.30 0.00 -3.45 0.00 0.00 179.45 176.85 1dk2 h ALA 42 N 0.71 0.66 0.00 5.00 0.00 -1.38 -2.73 119.26 121.52 1dk2 h ALA 42 Ca 0.03 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1dk2 h ALA 42 Cb 1.05 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1dk2 h ALA 42 CO 0.10 0.67 -0.08 0.00 0.00 0.00 0.00 179.25 179.95 1dk2 h ALA 43 N 0.86 1.68 0.06 0.00 0.00 -0.15 0.09 119.26 121.80 1dk2 h ALA 43 Ca 0.09 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1dk2 h ALA 43 Cb 0.87 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1dk2 h ALA 43 CO 0.08 0.10 -0.03 0.66 0.00 0.00 0.00 179.25 180.06 1dk2 h SER 44 N 0.00 -0.07 -0.23 0.00 4.64 -1.22 -0.62 113.55 116.06 1dk2 h SER 44 Ca -0.00 -0.47 -0.09 0.00 -0.47 0.00 0.00 61.79 60.76 1dk2 h SER 44 Cb 0.16 0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1dk2 h SER 44 CO 0.01 0.46 -0.21 1.62 -0.87 0.00 0.00 176.83 177.83 1dk2 h VAL 45 N -0.62 1.32 0.00 0.95 3.04 -1.39 0.21 116.25 119.76 1dk2 h VAL 45 Ca -0.01 -1.37 -0.07 0.00 -1.01 0.00 0.00 66.70 64.24 1dk2 h VAL 45 Cb 0.53 1.70 -0.01 0.00 -2.01 0.00 0.00 31.29 31.50 1dk2 h VAL 45 CO 0.01 0.42 -0.34 0.40 -1.01 0.00 0.00 177.57 177.06 1dk2 h ILE 46 N 0.24 1.19 0.00 3.17 2.04 -1.07 -0.34 117.51 122.74 1dk2 h ILE 46 Ca 0.04 -1.18 0.00 0.00 1.00 0.00 0.00 64.86 64.72 1dk2 h ILE 46 Cb 0.76 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 1dk2 h ILE 46 CO 0.05 0.33 -0.70 0.00 0.00 0.00 0.00 178.15 177.84 1dk2 n ALA 47 N -2.45 3.16 -1.64 1.87 0.00 -0.24 -4.06 120.51 117.15 1dk2 n ALA 47 Ca -0.02 -0.31 0.06 0.00 0.00 0.00 0.00 53.44 53.18 1dk2 n ALA 47 Cb 0.39 -1.11 0.17 0.00 0.00 0.00 0.00 19.45 18.89 1dk2 n ALA 47 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1dk2 n LYS 48 N -1.95 1.28 -3.07 0.00 3.00 0.05 -4.99 118.16 112.48 1dk2 n LYS 48 Ca 0.03 -2.94 -0.37 0.00 -0.00 0.00 0.00 58.31 55.03 1dk2 n LYS 48 Cb 0.42 -1.35 -0.06 0.00 0.00 0.00 0.00 35.03 34.03 1dk2 n LYS 48 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1dk2 s TYR 49 N -2.65 3.69 -2.19 5.64 5.04 -0.17 -4.93 117.35 121.78 1dk2 s TYR 49 Ca 0.35 1.44 0.21 0.00 -2.44 0.00 0.00 57.07 56.64 1dk2 s TYR 49 Cb 0.35 -2.65 0.92 0.00 0.35 0.00 0.00 41.96 40.92 1dk2 s TYR 49 CO -0.06 0.36 1.63 -0.35 -1.34 0.00 0.00 175.55 175.79 1dk2 n PRO 50 N 0.87 1.46 -3.62 4.97 -0.04 -1.26 -4.91 135.00 132.48 1dk2 n PRO 50 Ca -0.03 -0.69 -0.13 0.00 -0.04 0.00 0.00 63.50 62.60 1dk2 n PRO 50 Cb 0.51 -1.37 -0.04 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.09 -0.99 -4.26 0.54 8.25 -1.26 -5.17 115.22 112.23 1dk2 n HIS 51 Ca 0.16 -2.03 -0.23 0.00 -0.26 0.00 0.00 57.72 55.36 1dk2 n HIS 51 Cb 0.24 0.36 -0.07 0.00 1.12 0.00 0.00 29.99 31.63 1dk2 n HIS 51 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1dk2 s LYS 52 N -2.82 2.35 0.15 -0.41 2.36 -1.26 -4.81 119.74 115.31 1dk2 s LYS 52 Ca 0.27 -1.41 0.09 0.00 -2.55 0.00 0.00 55.97 52.37 1dk2 s LYS 52 Cb 0.00 -2.19 -0.04 0.00 -1.05 0.00 0.00 37.83 34.55 1dk2 s LYS 52 CO 0.19 0.33 -0.21 0.96 1.55 0.00 0.00 175.35 178.17 1dk2 s ILE 53 N -2.33 1.96 -0.02 5.43 -4.36 -1.26 -5.04 121.20 115.58 1dk2 s ILE 53 Ca 0.32 -1.85 0.21 0.00 -0.26 0.00 0.00 60.65 59.08 1dk2 s ILE 53 Cb -0.06 -1.86 0.37 0.00 1.25 0.00 0.00 42.46 42.16 1dk2 s ILE 53 CO 0.21 -0.18 1.15 0.29 0.24 0.00 0.00 174.94 176.65 1dk2 n LYS 54 N 0.51 0.18 -3.58 0.37 4.76 -1.26 -5.05 118.16 114.09 1dk2 n LYS 54 Ca -0.15 -2.01 -0.09 0.00 -2.87 0.00 0.00 58.31 53.19 1dk2 n LYS 54 Cb 0.56 -0.25 -0.05 0.00 -1.84 0.00 0.00 35.03 33.46 1dk2 n LYS 54 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1dk2 s SER 55 N -2.01 -0.31 0.51 4.39 0.15 -1.26 -4.99 113.70 110.18 1dk2 s SER 55 Ca 0.30 0.30 0.20 0.00 0.70 0.00 0.00 55.95 57.45 1dk2 s SER 55 Cb 0.34 0.27 1.33 0.00 -1.71 0.00 0.00 66.02 66.25 1dk2 s SER 55 CO -0.14 -0.32 2.11 1.23 1.20 0.00 0.00 173.24 177.32 1dk2 h GLY 56 N 2.41 0.00 1.81 9.45 0.00 -1.87 -1.59 103.07 113.29 1dk2 h GLY 56 Ca -0.17 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 1dk2 h GLY 56 CO 0.29 0.00 0.01 0.00 0.00 0.00 0.00 176.54 176.84 1dk2 h ALA 57 N 1.92 1.71 0.00 3.60 0.00 -1.95 -0.68 119.26 123.85 1dk2 h ALA 57 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1dk2 h ALA 57 Cb 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1dk2 h ALA 57 CO 0.01 0.23 0.00 0.39 0.00 0.00 0.00 179.25 179.88 1dk2 n GLU 58 N -4.40 0.21 -0.02 0.00 1.02 -0.60 -2.84 120.64 114.01 1dk2 n GLU 58 Ca -0.00 0.34 -0.08 0.00 -0.02 0.00 0.00 57.16 57.39 1dk2 n GLU 58 Cb 0.16 -1.83 -0.14 0.00 -0.02 0.00 0.00 31.44 29.62 1dk2 n GLU 58 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dk2 n ALA 59 N -1.76 1.52 0.10 0.62 0.00 -0.29 -3.95 120.51 116.76 1dk2 n ALA 59 Ca 0.03 -0.75 -0.04 0.00 0.00 0.00 0.00 53.44 52.69 1dk2 n ALA 59 Cb 0.30 -0.86 0.02 0.00 0.00 0.00 0.00 19.45 18.90 1dk2 n ALA 59 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1dk2 h LYS 60 N 0.00 0.00 0.00 0.00 2.10 -1.39 -3.13 116.57 114.16 1dk2 h LYS 60 Ca -0.28 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.31 1dk2 h LYS 60 Cb 1.98 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.30 1dk2 h LYS 60 CO 0.08 0.80 -0.31 1.57 -2.00 0.00 0.00 179.45 179.59 1dk2 h LYS 61 N 0.00 0.00 -7.04 0.07 2.10 -1.66 -3.44 116.57 106.60 1dk2 h LYS 61 Ca -0.01 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.10 1dk2 h LYS 61 Cb 1.46 0.00 0.13 0.00 -0.90 0.00 0.00 32.23 32.92 1dk2 h LYS 61 CO 0.10 0.31 0.60 -0.51 -2.00 0.00 0.00 179.45 177.95 1dk2 s LEU 62 N -7.68 3.89 -0.39 7.07 1.43 -1.18 -4.93 118.68 116.88 1dk2 s LEU 62 Ca -0.02 2.72 -0.29 0.00 -1.03 0.00 0.00 54.13 55.51 1dk2 s LEU 62 Cb 0.13 -4.25 0.02 0.00 0.03 0.00 0.00 46.19 42.12 1dk2 s LEU 62 CO 0.68 -1.47 1.15 -2.16 0.23 0.00 0.00 176.35 174.78 1dk2 s PRO 63 N -2.85 3.87 0.00 1.29 0.04 -1.26 -3.26 135.00 132.83 1dk2 s PRO 63 Ca 0.70 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1dk2 s PRO 63 Cb -0.39 -3.84 0.00 0.00 0.04 0.00 0.00 34.50 30.30 1dk2 s PRO 63 CO 0.47 -1.18 0.00 0.41 0.04 0.00 0.00 177.00 176.74 1dk2 n GLY 64 N 4.42 0.76 3.80 0.56 0.00 -1.26 -4.90 105.19 108.57 1dk2 n GLY 64 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.01 4.84 0.00 1.61 1.01 -1.20 -4.62 120.40 121.03 1dk2 s VAL 65 Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.14 1dk2 s VAL 65 Cb 0.00 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1dk2 s VAL 65 CO 0.00 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1dk2 n GLY 66 N 1.96 3.11 0.09 4.51 0.00 -1.26 -4.79 105.19 108.80 1dk2 n GLY 66 Ca -0.10 -1.65 -0.07 0.00 0.00 0.00 0.00 46.02 44.20 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 1.23 0.15 2.61 5.66 -1.26 -3.52 114.28 119.15 1dk2 n THR 67 Ca 0.00 -0.80 -0.06 0.00 -3.05 0.00 0.00 64.05 60.13 1dk2 n THR 67 Cb 0.00 -0.46 -0.03 0.00 -1.55 0.00 0.00 70.33 68.29 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 -0.39 -0.77 1.09 1.79 -1.99 -1.35 116.57 114.94 1dk2 h LYS 68 Ca -0.45 0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.04 1dk2 h LYS 68 Cb 2.05 0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 32.75 1dk2 h LYS 68 CO 0.03 -0.26 0.44 0.82 -1.08 0.00 0.00 179.45 179.40 1dk2 h ILE 69 N -0.60 1.23 -0.77 1.86 1.08 -1.90 -2.16 117.51 116.24 1dk2 h ILE 69 Ca -0.04 -0.54 0.05 0.00 -0.39 0.00 0.00 64.86 63.94 1dk2 h ILE 69 Cb 0.31 0.18 -0.05 0.00 -3.07 0.00 0.00 36.82 34.20 1dk2 h ILE 69 CO 0.07 0.25 0.50 0.00 -0.69 0.00 0.00 178.15 178.28 1dk2 h ALA 70 N 1.23 1.61 -0.86 1.87 0.00 -1.64 -1.30 119.26 120.18 1dk2 h ALA 70 Ca 0.27 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1dk2 h ALA 70 Cb 0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1dk2 h ALA 70 CO -0.05 0.29 0.45 0.93 0.00 0.00 0.00 179.25 180.87 1dk2 h GLU 71 N 0.87 1.21 -0.22 0.00 4.39 -0.57 -1.73 114.58 118.53 1dk2 h GLU 71 Ca 0.32 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.84 1dk2 h GLU 71 Cb 0.16 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1dk2 h GLU 71 CO -0.10 0.90 -0.00 0.87 -1.16 0.00 0.00 179.01 179.51 1dk2 h LYS 72 N 1.21 0.33 -0.57 2.33 1.79 -1.09 -2.20 116.57 118.37 1dk2 h LYS 72 Ca 0.30 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.67 1dk2 h LYS 72 Cb 0.06 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 1dk2 h LYS 72 CO -0.04 0.36 0.17 0.82 -1.08 0.00 0.00 179.45 179.67 1dk2 h ILE 73 N 0.32 1.24 -0.94 1.86 1.08 -0.97 -2.56 117.51 117.54 1dk2 h ILE 73 Ca 0.07 -0.82 0.09 0.00 -0.39 0.00 0.00 64.86 63.81 1dk2 h ILE 73 Cb 0.23 0.70 -0.07 0.00 -3.07 0.00 0.00 36.82 34.60 1dk2 h ILE 73 CO 0.01 0.31 0.58 -0.78 -0.69 0.00 0.00 178.15 177.58 1dk2 h ASP 74 N 0.80 0.88 0.18 1.72 1.82 -1.11 0.19 116.42 120.90 1dk2 h ASP 74 Ca 0.18 0.03 -0.04 0.00 -0.39 0.00 0.00 57.03 56.82 1dk2 h ASP 74 Cb 0.30 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.15 1dk2 h ASP 74 CO -0.00 0.52 -0.17 -0.33 -1.61 0.00 0.00 179.24 177.64 1dk2 h GLU 75 N 0.99 0.00 0.15 0.28 3.07 -1.34 0.43 114.58 118.15 1dk2 h GLU 75 Ca 0.44 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.29 1dk2 h GLU 75 Cb 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1dk2 h GLU 75 CO -0.22 0.17 -0.07 0.74 -1.40 0.00 0.00 179.01 178.22 1dk2 h PHE 76 N 0.00 -0.18 0.00 4.33 -1.00 -0.39 -3.02 116.94 116.69 1dk2 h PHE 76 Ca -0.00 -0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.71 1dk2 h PHE 76 Cb 0.30 0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.92 1dk2 h PHE 76 CO 0.00 0.23 -0.30 -0.07 -1.61 0.00 0.00 178.31 176.56 1dk2 h LEU 77 N -0.67 0.00 0.00 1.54 -0.00 -1.07 -3.22 115.31 111.90 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 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 1dk2 h LEU 77 CO 0.03 0.30 0.00 0.00 -0.00 0.00 0.00 178.44 178.77 1dk2 n ALA 78 N -2.25 -0.03 -0.03 1.53 0.00 0.15 -4.80 120.51 115.07 1dk2 n ALA 78 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1dk2 n ALA 78 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.90 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 0.72 0.00 0.00 -1.04 -1.19 -5.07 114.28 107.11 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 -1.68 0.00 0.00 -1.82 0.00 0.00 70.33 66.83 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 2.59 3.34 3.78 3.41 0.00 -1.15 -5.02 105.19 112.14 1dk2 n GLY 80 Ca -0.13 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 44.83 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 3.49 -1.17 1.61 1.02 -1.26 -4.80 119.74 118.63 1dk2 s LYS 81 Ca 0.00 -0.24 -0.12 0.00 0.02 0.00 0.00 55.97 55.62 1dk2 s LYS 81 Cb 0.00 -3.12 0.20 0.00 -0.52 0.00 0.00 37.83 34.39 1dk2 s LYS 81 CO 0.00 0.63 1.33 -0.51 -0.92 0.00 0.00 175.35 175.88 1dk2 s LEU 82 N -0.63 5.45 -0.13 3.17 1.43 -1.26 -4.75 118.68 121.97 1dk2 s LEU 82 Ca 0.12 -3.16 -0.13 0.00 -1.03 0.00 0.00 54.13 49.92 1dk2 s LEU 82 Cb -0.12 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 1dk2 s LEU 82 CO 0.02 -0.61 -0.26 0.54 0.23 0.00 0.00 176.35 176.27 1dk2 n ARG 83 N 4.76 0.39 -2.58 1.70 1.74 -1.26 -4.82 116.66 116.60 1dk2 n ARG 83 Ca 0.32 0.16 -0.14 0.00 -0.77 0.00 0.00 57.85 57.42 1dk2 n ARG 83 Cb 0.42 -1.19 0.02 0.00 -1.02 0.00 0.00 32.46 30.69 1dk2 n ARG 83 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1dk2 n LYS 84 N -3.96 2.08 -2.24 5.56 2.85 -1.26 -5.08 118.16 116.10 1dk2 n LYS 84 Ca -0.10 -3.72 -0.41 0.00 -1.05 0.00 0.00 58.31 53.02 1dk2 n LYS 84 Cb 0.39 -1.67 -0.03 0.00 -0.65 0.00 0.00 35.03 33.07 1dk2 n LYS 84 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1dk2 s LEU 85 N -3.39 4.41 0.00 -5.58 2.01 -1.26 -5.00 118.68 109.88 1dk2 s LEU 85 Ca 0.35 2.36 -0.05 0.00 0.01 0.00 0.00 54.13 56.80 1dk2 s LEU 85 Cb 0.42 -3.61 0.02 0.00 0.01 0.00 0.00 46.19 43.03 1dk2 s LEU 85 CO -0.04 -0.52 0.43 -1.84 1.01 0.00 0.00 176.35 175.39 1dk2 n GLU 86 N 2.84 0.61 0.00 1.70 0.28 -1.26 -5.18 120.64 119.63 1dk2 n GLU 86 Ca 0.07 -1.79 0.00 0.00 -0.16 0.00 0.00 57.16 55.28 1dk2 n GLU 86 Cb 0.43 1.90 0.00 0.00 1.43 0.00 0.00 31.44 35.20 1dk2 n GLU 86 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60