#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 4.47 1.28 1.43 2.20 -1.26 -4.89 119.74 122.96 1dk2 s LYS 3 Ca 0.00 1.00 0.00 0.00 -0.36 0.00 0.00 55.97 56.61 1dk2 s LYS 3 Cb 0.00 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 32.89 1dk2 s LYS 3 CO 0.00 0.11 0.00 0.54 -0.36 0.00 0.00 175.35 175.64 1dk2 n ARG 4 N 3.54 -1.18 0.03 4.03 3.00 -1.26 -4.36 116.66 120.46 1dk2 n ARG 4 Ca -0.01 0.78 -0.13 0.00 -0.01 0.00 0.00 57.85 58.48 1dk2 n ARG 4 Cb 0.51 -1.44 -0.14 0.00 0.00 0.00 0.00 32.46 31.40 1dk2 n ARG 4 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1dk2 h LYS 5 N 0.00 0.13 -6.68 5.56 3.64 -2.10 -3.46 116.57 113.67 1dk2 h LYS 5 Ca 0.01 -0.23 -0.50 0.00 -1.27 0.00 0.00 60.65 58.66 1dk2 h LYS 5 Cb 0.53 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1dk2 h LYS 5 CO 0.00 0.90 -0.02 0.00 -2.27 0.00 0.00 179.45 178.07 1dk2 s ALA 6 N -2.61 3.50 0.20 5.00 0.00 -1.26 -5.07 121.76 121.51 1dk2 s ALA 6 Ca -0.08 -0.47 -0.20 0.00 0.00 0.00 0.00 51.96 51.21 1dk2 s ALA 6 Cb 0.08 -2.46 -0.08 0.00 0.00 0.00 0.00 23.12 20.65 1dk2 s ALA 6 CO 0.83 0.04 0.71 -1.25 0.00 0.00 0.00 175.76 176.09 1dk2 s PRO 7 N -3.91 4.28 -0.09 0.00 0.04 -1.26 -4.76 135.00 129.30 1dk2 s PRO 7 Ca 0.46 0.88 -0.20 0.00 0.04 0.00 0.00 61.00 62.19 1dk2 s PRO 7 Cb -0.10 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.43 1dk2 s PRO 7 CO 0.33 0.44 0.55 -1.14 0.04 0.00 0.00 177.00 177.23 1dk2 s GLN 8 N -1.79 4.36 -0.27 4.56 2.00 -1.26 -5.05 119.66 122.22 1dk2 s GLN 8 Ca 0.41 0.60 0.02 0.00 -2.00 0.00 0.00 55.36 54.38 1dk2 s GLN 8 Cb -0.18 -3.43 0.07 0.00 0.80 0.00 0.00 33.01 30.28 1dk2 s GLN 8 CO 0.21 0.15 -0.02 -1.21 -0.50 0.00 0.00 175.29 173.93 1dk2 s GLU 9 N 0.59 1.55 -0.03 1.67 0.41 -1.26 -5.10 118.70 116.52 1dk2 s GLU 9 Ca 0.30 -1.24 0.03 0.00 -0.41 0.00 0.00 54.97 53.65 1dk2 s GLU 9 Cb -0.16 -2.68 0.00 0.00 -1.78 0.00 0.00 34.13 29.51 1dk2 s GLU 9 CO 0.13 -0.72 -0.12 0.95 -0.49 0.00 0.00 175.26 175.01 1dk2 s THR 10 N 1.28 1.01 0.00 3.63 -4.23 -1.26 -5.07 115.64 111.00 1dk2 s THR 10 Ca -0.00 -0.48 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 1dk2 s THR 10 Cb -0.19 -0.89 0.00 0.00 1.34 0.00 0.00 72.50 72.77 1dk2 s THR 10 CO -0.09 0.31 0.00 0.18 -0.54 0.00 0.00 174.62 174.48 1dk2 n LEU 11 N 3.28 0.00 -3.86 4.79 4.77 -1.26 -4.83 117.00 119.89 1dk2 n LEU 11 Ca -0.19 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.38 1dk2 n LEU 11 Cb 0.54 -0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.48 1dk2 n LEU 11 CO 0.25 -0.30 1.12 -0.46 -1.33 0.00 0.00 177.39 176.66 1dk2 n ASN 12 N -2.01 6.44 -0.52 -1.43 0.23 -1.26 -4.73 115.26 111.99 1dk2 n ASN 12 Ca 0.00 -3.49 0.13 0.00 -0.53 0.00 0.00 54.58 50.69 1dk2 n ASN 12 Cb 0.00 -1.19 0.47 0.00 -2.08 0.00 0.00 39.78 36.98 1dk2 n ASN 12 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1dk2 n GLY 13 N 0.93 0.12 0.11 4.83 0.00 -1.26 -3.85 105.19 106.07 1dk2 n GLY 13 Ca 0.31 -0.44 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 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 1.17 -0.78 0.22 -0.02 0.00 -1.26 -3.36 105.19 101.15 1dk2 n GLY 14 Ca 0.18 -0.16 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 0.03 0.12 -0.73 -0.61 2.04 -1.97 -3.13 117.51 113.26 1dk2 h ILE 15 Ca -0.36 -0.69 0.19 0.00 1.00 0.00 0.00 64.86 65.01 1dk2 h ILE 15 Cb 2.03 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 38.27 1dk2 h ILE 15 CO 0.08 0.03 0.51 0.00 0.00 0.00 0.00 178.15 178.78 1dk2 h THR 16 N -1.10 0.69 0.00 -0.27 1.03 -1.77 0.32 112.91 111.81 1dk2 h THR 16 Ca -0.05 -0.05 -0.06 0.00 -0.01 0.00 0.00 66.41 66.25 1dk2 h THR 16 Cb 0.42 0.53 -0.01 0.00 -1.07 0.00 0.00 68.15 68.02 1dk2 h THR 16 CO 0.08 0.03 -0.28 -0.78 -0.01 0.00 0.00 175.52 174.56 1dk2 h ASP 17 N 0.14 0.00 0.88 0.00 3.58 -1.56 0.41 116.42 119.86 1dk2 h ASP 17 Ca 0.36 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.76 1dk2 h ASP 17 Cb 1.21 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.25 1dk2 h ASP 17 CO -0.05 0.28 -1.16 0.23 -2.88 0.00 0.00 179.24 175.66 1dk2 n MET 18 N -4.12 0.61 0.00 0.28 2.81 0.10 -2.66 117.12 114.14 1dk2 n MET 18 Ca -0.02 0.14 -0.14 0.00 -1.81 0.00 0.00 57.70 55.88 1dk2 n MET 18 Cb 0.33 -1.81 -0.14 0.00 -0.71 0.00 0.00 33.22 30.89 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 0.19 -0.14 4.03 4.07 -0.80 -3.11 115.31 119.56 1dk2 h LEU 19 Ca -0.05 -0.38 -0.22 0.00 0.08 0.00 0.00 57.88 57.31 1dk2 h LEU 19 Cb 1.18 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.85 1dk2 h LEU 19 CO 0.01 1.34 -0.98 0.58 -1.08 0.00 0.00 178.44 178.31 1dk2 h VAL 20 N 0.03 1.51 0.55 1.22 2.07 -0.33 -1.33 116.25 119.98 1dk2 h VAL 20 Ca -0.31 -2.80 -0.03 0.00 0.82 0.00 0.00 66.70 64.38 1dk2 h VAL 20 Cb 2.01 2.62 0.01 0.00 -1.52 0.00 0.00 31.29 34.40 1dk2 h VAL 20 CO 0.10 0.82 -0.26 -0.08 0.02 0.00 0.00 177.57 178.16 1dk2 h GLU 21 N 0.10 -0.71 -0.41 1.57 4.81 -1.64 -2.95 114.58 115.35 1dk2 h GLU 21 Ca -0.06 0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1dk2 h GLU 21 Cb 1.65 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 31.17 1dk2 h GLU 21 CO 0.15 -0.48 0.19 1.37 -0.73 0.00 0.00 179.01 179.51 1dk2 h LEU 22 N -1.16 0.51 -0.92 1.64 8.10 -1.67 -2.14 115.31 119.67 1dk2 h LEU 22 Ca -0.08 -0.04 0.17 0.00 0.11 0.00 0.00 57.88 58.05 1dk2 h LEU 22 Cb 0.57 -0.13 -0.10 0.00 -0.44 0.00 0.00 40.66 40.55 1dk2 h LEU 22 CO 0.12 0.45 0.51 0.00 -4.11 0.00 0.00 178.44 175.41 1dk2 h ALA 23 N 1.63 1.47 -0.52 0.17 0.00 -1.23 0.61 119.26 121.40 1dk2 h ALA 23 Ca 0.14 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1dk2 h ALA 23 Cb 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1dk2 h ALA 23 CO -0.02 -0.10 0.09 -0.91 0.00 0.00 0.00 179.25 178.31 1dk2 h ASN 24 N 0.66 0.78 0.36 0.00 2.35 -1.21 -0.85 115.58 117.67 1dk2 h ASN 24 Ca 0.53 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 56.11 1dk2 h ASN 24 Cb 0.81 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.98 1dk2 h ASN 24 CO -0.39 0.79 -0.08 0.15 -1.65 0.00 0.00 177.43 176.25 1dk2 h PHE 25 N 0.79 0.00 0.13 1.19 3.57 0.24 0.45 116.94 123.31 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 0.35 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.09 1dk2 h PHE 25 CO 0.02 0.08 -0.06 0.93 -2.23 0.00 0.00 178.31 177.04 1dk2 h GLU 26 N 0.00 -0.17 -0.39 1.11 4.39 0.12 -2.97 114.58 116.68 1dk2 h GLU 26 Ca -0.00 0.01 -0.15 0.00 0.34 0.00 0.00 59.36 59.56 1dk2 h GLU 26 Cb 0.28 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1dk2 h GLU 26 CO 0.01 0.16 -0.34 -0.22 -1.16 0.00 0.00 179.01 177.46 1dk2 h LYS 27 N -0.98 0.91 -0.13 2.33 3.64 -1.38 -2.74 116.57 118.22 1dk2 h LYS 27 Ca -0.02 -0.47 0.04 0.00 -1.27 0.00 0.00 60.65 58.93 1dk2 h LYS 27 Cb 0.41 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1dk2 h LYS 27 CO 0.03 1.12 0.15 -0.91 -2.27 0.00 0.00 179.45 177.57 1dk2 h ASN 28 N 0.73 0.00 -3.27 4.20 4.21 -0.22 -3.41 115.58 117.82 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 0.93 0.00 0.04 0.00 -1.12 0.00 0.00 38.32 38.17 1dk2 h ASN 28 CO 0.09 0.00 0.06 -0.69 -1.29 0.00 0.00 177.43 175.59 1dk2 s VAL 29 N -4.59 3.92 0.00 2.81 1.01 -1.03 -5.05 120.40 117.47 1dk2 s VAL 29 Ca -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1dk2 s VAL 29 Cb 0.15 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 33.03 1dk2 s VAL 29 CO 0.53 -0.45 0.16 -0.24 0.00 0.00 0.00 175.10 175.10 1dk2 n SER 30 N -2.34 0.00 -3.58 3.32 2.88 -1.26 -4.27 113.62 108.37 1dk2 n SER 30 Ca 0.03 0.56 -0.41 0.00 -1.33 0.00 0.00 58.87 57.72 1dk2 n SER 30 Cb 0.57 -0.48 -0.01 0.00 -0.75 0.00 0.00 64.21 63.55 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 -1.94 3.75 -2.69 -1.46 1.13 -1.26 -4.41 117.38 110.50 1dk2 n GLN 31 Ca 0.00 -2.95 -0.07 0.00 -1.94 0.00 0.00 57.00 52.04 1dk2 n GLN 31 Cb 0.00 -2.89 0.08 0.00 0.11 0.00 0.00 30.24 27.54 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 3.68 2.29 -0.00 -1.58 0.00 -1.26 -4.91 120.51 118.73 1dk2 n ALA 32 Ca 0.59 -2.10 0.06 0.00 0.00 0.00 0.00 53.44 51.99 1dk2 n ALA 32 Cb 0.30 -0.96 -0.13 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.43 0.50 0.01 0.00 0.13 -1.26 -3.46 119.36 114.86 1dk2 n ILE 33 Ca 0.02 -0.60 -0.12 0.00 -1.10 0.00 0.00 62.75 60.94 1dk2 n ILE 33 Cb 0.84 -0.23 -0.09 0.00 -0.84 0.00 0.00 39.64 39.31 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 -0.09 0.00 9.51 2.07 -1.94 -3.06 115.15 121.64 1dk2 h HIS 34 Ca -0.12 -0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.37 1dk2 h HIS 34 Cb 1.30 0.03 -0.00 0.00 2.57 0.00 0.00 27.41 31.31 1dk2 h HIS 34 CO 0.00 0.42 -0.13 1.57 -3.07 0.00 0.00 177.93 176.72 1dk2 h LYS 35 N -0.67 0.00 0.33 5.12 -0.00 -1.96 -3.09 116.57 116.30 1dk2 h LYS 35 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.64 1dk2 h LYS 35 Cb 0.55 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.77 1dk2 h LYS 35 CO 0.02 0.13 -0.27 -0.92 -0.00 0.00 0.00 179.45 178.41 1dk2 h TYR 36 N 0.00 -0.72 0.00 0.07 3.20 -1.56 -1.41 116.97 116.55 1dk2 h TYR 36 Ca -0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1dk2 h TYR 36 Cb 0.51 0.27 -0.00 0.00 1.54 0.00 0.00 36.73 39.05 1dk2 h TYR 36 CO 0.00 -0.40 -0.04 -0.97 -1.64 0.00 0.00 178.16 175.11 1dk2 h ASN 37 N -0.61 0.00 0.40 -2.11 -0.73 -1.49 0.18 115.58 111.21 1dk2 h ASN 37 Ca -0.02 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.13 1dk2 h ASN 37 Cb 0.54 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.12 1dk2 h ASN 37 CO -0.02 0.04 -0.33 0.00 -0.37 0.00 0.00 177.43 176.75 1dk2 h ALA 38 N 1.96 -1.06 0.00 1.57 0.00 -1.23 0.15 119.26 120.66 1dk2 h ALA 38 Ca -0.00 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 1dk2 h ALA 38 Cb 0.07 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1dk2 h ALA 38 CO 0.00 -1.06 -0.68 1.88 0.00 0.00 0.00 179.25 179.39 1dk2 h TYR 39 N -0.71 0.00 -0.22 0.00 -1.99 -1.38 -2.67 116.97 110.00 1dk2 h TYR 39 Ca -0.05 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.59 1dk2 h TYR 39 Cb 0.59 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.31 1dk2 h TYR 39 CO -0.13 0.68 -0.24 -0.09 -0.00 0.00 0.00 178.16 178.38 1dk2 h ARG 40 N 0.00 0.41 0.01 4.88 9.65 -0.56 0.21 114.38 128.98 1dk2 h ARG 40 Ca -0.01 -0.14 -0.03 0.00 -1.10 0.00 0.00 59.98 58.70 1dk2 h ARG 40 Cb 1.44 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.99 1dk2 h ARG 40 CO 0.09 0.63 -0.14 0.87 2.80 0.00 0.00 179.97 184.22 1dk2 h LYS 41 N 0.37 0.02 0.07 0.20 1.79 -0.69 -2.52 116.57 115.82 1dk2 h LYS 41 Ca 0.06 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1dk2 h LYS 41 Cb 0.62 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 1dk2 h LYS 41 CO 0.04 1.02 -0.04 0.00 -1.08 0.00 0.00 179.45 179.39 1dk2 h ALA 42 N -0.03 -0.10 0.00 3.86 0.00 -1.47 -1.54 119.26 119.98 1dk2 h ALA 42 Ca -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1dk2 h ALA 42 Cb 1.06 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1dk2 h ALA 42 CO -0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 179.25 178.69 1dk2 h ALA 43 N 0.68 1.67 -0.03 0.00 0.00 -0.73 0.34 119.26 121.19 1dk2 h ALA 43 Ca -0.01 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1dk2 h ALA 43 Cb 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1dk2 h ALA 43 CO 0.02 0.08 -0.72 1.03 0.00 0.00 0.00 179.25 179.66 1dk2 h SER 44 N 0.00 0.22 0.30 0.00 0.87 -0.94 -0.07 113.55 113.93 1dk2 h SER 44 Ca -0.00 -0.15 -0.33 0.00 -1.23 0.00 0.00 61.79 60.08 1dk2 h SER 44 Cb 0.13 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 61.99 1dk2 h SER 44 CO 0.01 0.86 -1.85 0.55 -0.53 0.00 0.00 176.83 175.87 1dk2 n VAL 45 N -3.77 1.71 -0.04 2.23 3.14 -0.61 -3.51 118.33 117.48 1dk2 n VAL 45 Ca -0.03 -0.72 -0.15 0.00 -2.96 0.00 0.00 64.34 60.48 1dk2 n VAL 45 Cb 0.70 -1.41 -0.12 0.00 -1.06 0.00 0.00 33.84 31.94 1dk2 n VAL 45 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1dk2 h ILE 46 N 0.04 1.63 0.00 1.55 2.04 -0.43 -1.13 117.51 121.21 1dk2 h ILE 46 Ca -0.36 -2.06 -0.00 0.00 1.00 0.00 0.00 64.86 63.45 1dk2 h ILE 46 Cb 2.03 2.98 -0.00 0.00 -0.74 0.00 0.00 36.82 41.09 1dk2 h ILE 46 CO 0.09 0.55 -0.00 0.00 0.00 0.00 0.00 178.15 178.79 1dk2 h ALA 47 N 0.17 1.01 0.00 1.87 0.00 -1.18 -1.87 119.26 119.25 1dk2 h ALA 47 Ca -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1dk2 h ALA 47 Cb 0.99 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1dk2 h ALA 47 CO 0.03 0.00 -0.35 1.17 0.00 0.00 0.00 179.25 180.10 1dk2 n LYS 48 N -3.09 1.35 -3.00 0.00 0.00 -1.21 -5.04 118.16 107.17 1dk2 n LYS 48 Ca -0.03 -2.91 -0.36 0.00 0.00 0.00 0.00 58.31 55.02 1dk2 n LYS 48 Cb 0.10 -1.46 -0.06 0.00 0.00 0.00 0.00 35.03 33.61 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 -2.84 3.60 -2.26 5.64 5.04 -0.43 -4.96 117.35 121.14 1dk2 s TYR 49 Ca 0.34 1.49 0.30 0.00 -2.44 0.00 0.00 57.07 56.77 1dk2 s TYR 49 Cb 0.33 -2.71 1.45 0.00 0.35 0.00 0.00 41.96 41.38 1dk2 s TYR 49 CO -0.04 0.24 1.97 -0.35 -1.34 0.00 0.00 175.55 176.03 1dk2 n PRO 50 N 0.44 1.35 -4.22 4.97 -0.04 -1.26 -4.91 135.00 131.33 1dk2 n PRO 50 Ca 0.00 -0.51 -0.17 0.00 -0.04 0.00 0.00 63.50 62.78 1dk2 n PRO 50 Cb 0.51 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 1dk2 n PRO 50 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1dk2 s HIS 51 N -2.00 1.48 -0.07 0.54 3.76 -1.26 -5.16 115.29 112.58 1dk2 s HIS 51 Ca 0.43 -1.52 -0.03 0.00 -0.15 0.00 0.00 55.06 53.79 1dk2 s HIS 51 Cb 0.21 -0.52 -0.04 0.00 1.11 0.00 0.00 32.58 33.35 1dk2 s HIS 51 CO 0.35 -0.91 0.07 -1.59 -0.85 0.00 0.00 174.74 171.81 1dk2 s LYS 52 N -3.44 3.17 -0.01 1.40 -2.85 -1.26 -4.88 119.74 111.87 1dk2 s LYS 52 Ca 0.38 -0.33 -0.28 0.00 -1.00 0.00 0.00 55.97 54.73 1dk2 s LYS 52 Cb 0.02 -2.95 -0.03 0.00 -2.06 0.00 0.00 37.83 32.81 1dk2 s LYS 52 CO 0.24 0.71 0.90 0.42 0.10 0.00 0.00 175.35 177.72 1dk2 s ILE 53 N -1.02 4.89 -0.24 3.79 1.01 -1.26 -4.96 121.20 123.41 1dk2 s ILE 53 Ca 0.17 1.89 -0.18 0.00 0.00 0.00 0.00 60.65 62.53 1dk2 s ILE 53 Cb -0.12 -4.24 -0.15 0.00 0.01 0.00 0.00 42.46 37.96 1dk2 s ILE 53 CO 0.06 0.20 -0.06 0.29 0.00 0.00 0.00 174.94 175.43 1dk2 n LYS 54 N 3.77 0.57 -4.62 2.79 5.02 -1.26 -5.03 118.16 119.40 1dk2 n LYS 54 Ca 0.04 0.43 -0.29 0.00 -2.02 0.00 0.00 58.31 56.47 1dk2 n LYS 54 Cb 0.51 -1.63 -0.08 0.00 -0.02 0.00 0.00 35.03 33.81 1dk2 n LYS 54 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1dk2 s SER 55 N -7.09 3.35 0.48 4.39 0.01 -1.26 -4.88 113.70 108.69 1dk2 s SER 55 Ca -0.33 -1.66 0.16 0.00 1.31 0.00 0.00 55.95 55.44 1dk2 s SER 55 Cb 0.10 0.49 1.16 0.00 0.21 0.00 0.00 66.02 67.97 1dk2 s SER 55 CO 0.53 -0.89 2.06 1.23 0.41 0.00 0.00 173.24 176.59 1dk2 h GLY 56 N 1.61 0.00 1.81 3.44 0.00 -1.89 -1.51 103.07 106.54 1dk2 h GLY 56 Ca -0.39 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 1dk2 h GLY 56 CO 0.64 0.00 -0.03 0.00 0.00 0.00 0.00 176.54 177.15 1dk2 h ALA 57 N 1.89 1.64 0.00 3.60 0.00 -1.95 0.10 119.26 124.54 1dk2 h ALA 57 Ca -0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1dk2 h ALA 57 Cb 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1dk2 h ALA 57 CO 0.01 0.27 -0.39 0.93 0.00 0.00 0.00 179.25 180.08 1dk2 h GLU 58 N 0.24 0.00 0.00 0.00 5.08 -1.67 -2.04 114.58 116.19 1dk2 h GLU 58 Ca 0.06 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.18 1dk2 h GLU 58 Cb 0.22 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 1dk2 h GLU 58 CO 0.01 0.39 -1.54 0.00 -1.00 0.00 0.00 179.01 176.86 1dk2 h ALA 59 N 1.61 0.71 0.04 3.43 0.00 -1.20 -3.36 119.26 120.49 1dk2 h ALA 59 Ca -0.00 -1.20 -0.24 0.00 0.00 0.00 0.00 54.91 53.47 1dk2 h ALA 59 Cb 0.96 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1dk2 h ALA 59 CO 0.05 1.31 -1.03 -0.22 0.00 0.00 0.00 179.25 179.36 1dk2 h LYS 60 N 0.00 0.37 0.00 0.00 3.64 -0.79 -3.13 116.57 116.66 1dk2 h LYS 60 Ca -0.22 -0.46 -0.00 0.00 -1.27 0.00 0.00 60.65 58.70 1dk2 h LYS 60 Cb 1.84 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 33.80 1dk2 h LYS 60 CO 0.07 1.14 -0.00 1.57 -2.27 0.00 0.00 179.45 179.96 1dk2 h LYS 61 N 0.19 0.00 -7.00 1.90 2.10 -1.51 -3.43 116.57 108.81 1dk2 h LYS 61 Ca -0.10 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.01 1dk2 h LYS 61 Cb 1.69 0.00 0.12 0.00 -0.90 0.00 0.00 32.23 33.14 1dk2 h LYS 61 CO 0.18 0.00 0.68 -0.51 -2.00 0.00 0.00 179.45 177.80 1dk2 s LEU 62 N -7.10 4.06 -0.54 7.07 1.43 -1.18 -4.91 118.68 117.51 1dk2 s LEU 62 Ca -0.05 2.88 -0.28 0.00 -1.03 0.00 0.00 54.13 55.65 1dk2 s LEU 62 Cb 0.14 -4.00 0.03 0.00 0.03 0.00 0.00 46.19 42.38 1dk2 s LEU 62 CO 0.50 -1.25 1.22 -2.16 0.23 0.00 0.00 176.35 174.89 1dk2 s PRO 63 N -2.54 3.55 0.00 1.29 0.04 -1.26 -3.26 135.00 132.82 1dk2 s PRO 63 Ca 0.63 0.42 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1dk2 s PRO 63 Cb -0.43 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.11 1dk2 s PRO 63 CO 0.54 -1.62 0.00 0.41 0.04 0.00 0.00 177.00 176.37 1dk2 n GLY 64 N 5.03 1.04 3.80 0.56 0.00 -1.26 -4.96 105.19 109.41 1dk2 n GLY 64 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.52 4.82 0.00 1.61 1.01 -1.20 -4.62 120.40 121.49 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 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1dk2 s VAL 65 CO 0.00 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1dk2 n GLY 66 N 1.91 2.55 0.09 4.51 0.00 -1.26 -4.85 105.19 108.13 1dk2 n GLY 66 Ca -0.10 -1.13 -0.06 0.00 0.00 0.00 0.00 46.02 44.73 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 1.20 0.13 2.61 -1.04 -1.26 -3.52 114.28 112.40 1dk2 n THR 67 Ca 0.00 -0.80 -0.05 0.00 -2.04 0.00 0.00 64.05 61.16 1dk2 n THR 67 Cb 0.00 -0.45 -0.03 0.00 -1.82 0.00 0.00 70.33 68.03 1dk2 n THR 67 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1dk2 h LYS 68 N 0.00 -0.34 -0.45 -2.82 1.57 -1.99 0.49 116.57 113.03 1dk2 h LYS 68 Ca -0.43 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.36 1dk2 h LYS 68 Cb 2.02 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 34.39 1dk2 h LYS 68 CO 0.03 -0.23 0.25 0.82 -0.57 0.00 0.00 179.45 179.75 1dk2 h ILE 69 N -0.47 1.16 -0.51 1.86 1.08 -1.91 -2.14 117.51 116.58 1dk2 h ILE 69 Ca -0.04 -0.39 0.04 0.00 -0.39 0.00 0.00 64.86 64.08 1dk2 h ILE 69 Cb 0.27 0.60 -0.03 0.00 -3.07 0.00 0.00 36.82 34.59 1dk2 h ILE 69 CO 0.06 0.16 0.34 0.00 -0.69 0.00 0.00 178.15 178.02 1dk2 h ALA 70 N 1.10 1.79 -0.78 1.87 0.00 -1.64 -1.41 119.26 120.19 1dk2 h ALA 70 Ca 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1dk2 h ALA 70 Cb 0.04 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1dk2 h ALA 70 CO -0.03 0.15 0.43 0.93 0.00 0.00 0.00 179.25 180.73 1dk2 h GLU 71 N 0.55 1.09 0.00 0.00 4.39 -0.21 -1.44 114.58 118.96 1dk2 h GLU 71 Ca 0.21 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 1dk2 h GLU 71 Cb 0.15 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 28.58 1dk2 h GLU 71 CO -0.05 0.80 -0.12 0.87 -1.16 0.00 0.00 179.01 179.35 1dk2 h LYS 72 N 1.09 0.00 -0.24 2.33 1.79 -1.07 -2.34 116.57 118.12 1dk2 h LYS 72 Ca 0.28 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.73 1dk2 h LYS 72 Cb 0.03 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 1dk2 h LYS 72 CO -0.04 0.12 0.09 0.82 -1.08 0.00 0.00 179.45 179.35 1dk2 h ILE 73 N 0.00 1.18 -0.44 1.86 1.08 -1.05 -2.22 117.51 117.93 1dk2 h ILE 73 Ca -0.00 -0.56 0.07 0.00 -0.39 0.00 0.00 64.86 63.98 1dk2 h ILE 73 Cb 0.21 1.10 -0.02 0.00 -3.07 0.00 0.00 36.82 35.04 1dk2 h ILE 73 CO 0.02 0.19 0.30 -0.78 -0.69 0.00 0.00 178.15 177.18 1dk2 h ASP 74 N 0.24 0.25 0.37 1.72 1.82 -1.25 0.16 116.42 119.73 1dk2 h ASP 74 Ca 0.08 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.65 1dk2 h ASP 74 Cb 0.21 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.15 1dk2 h ASP 74 CO -0.00 0.16 -0.36 -0.33 -1.61 0.00 0.00 179.24 177.09 1dk2 h GLU 75 N 0.28 0.00 0.02 0.28 4.39 -1.25 0.45 114.58 118.76 1dk2 h GLU 75 Ca 0.20 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.90 1dk2 h GLU 75 Cb 0.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1dk2 h GLU 75 CO -0.04 0.36 -0.01 0.74 -1.16 0.00 0.00 179.01 178.90 1dk2 h PHE 76 N 0.00 -0.02 0.00 4.33 -1.00 -0.40 -2.87 116.94 116.97 1dk2 h PHE 76 Ca -0.00 -0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.67 1dk2 h PHE 76 Cb 0.64 0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.20 1dk2 h PHE 76 CO 0.00 0.61 -0.49 -0.07 -1.61 0.00 0.00 178.31 176.75 1dk2 h LEU 77 N -0.68 0.00 0.00 1.54 -0.00 -1.30 -3.37 115.31 111.50 1dk2 h LEU 77 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1dk2 h LEU 77 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.30 1dk2 h LEU 77 CO 0.00 0.49 0.00 0.00 -0.00 0.00 0.00 178.44 178.94 1dk2 n ALA 78 N -2.34 -0.01 0.05 1.53 0.00 0.16 -4.93 120.51 114.97 1dk2 n ALA 78 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1dk2 n ALA 78 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.54 0.30 0.00 0.00 -1.04 -1.18 -5.08 114.28 106.73 1dk2 n THR 79 Ca 0.00 0.10 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1dk2 n THR 79 Cb 0.00 -0.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 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 2.49 0.17 2.82 3.41 0.00 -1.09 -4.94 105.19 108.05 1dk2 n GLY 80 Ca 0.00 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 1dk2 n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1dk2 s LYS 81 N 0.00 1.28 -1.25 1.61 2.47 -1.26 -5.04 119.74 117.56 1dk2 s LYS 81 Ca 0.00 -1.83 -0.15 0.00 -1.56 0.00 0.00 55.97 52.44 1dk2 s LYS 81 Cb 0.00 -2.58 0.14 0.00 -1.46 0.00 0.00 37.83 33.93 1dk2 s LYS 81 CO 0.00 -1.06 1.56 1.28 0.16 0.00 0.00 175.35 177.29 1dk2 n LEU 82 N 3.97 5.24 0.00 5.43 7.99 -1.26 -4.78 117.00 133.60 1dk2 n LEU 82 Ca 0.04 -4.31 0.00 0.00 -0.01 0.00 0.00 56.01 51.73 1dk2 n LEU 82 Cb 0.38 -1.65 0.00 0.00 -0.11 0.00 0.00 43.42 42.04 1dk2 n LEU 82 CO 0.22 0.60 0.00 0.54 -1.51 0.00 0.00 177.39 177.24 1dk2 n ARG 83 N 6.35 0.00 -3.60 3.23 5.12 -1.26 -5.07 116.66 121.43 1dk2 n ARG 83 Ca 0.41 0.21 -0.09 0.00 -1.93 0.00 0.00 57.85 56.45 1dk2 n ARG 83 Cb 0.43 -0.65 -0.06 0.00 -1.16 0.00 0.00 32.46 31.02 1dk2 n ARG 83 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1dk2 s LYS 84 N -0.67 0.49 -0.09 5.56 2.20 -1.26 -5.16 119.74 120.81 1dk2 s LYS 84 Ca 0.00 0.26 -0.03 0.00 -0.36 0.00 0.00 55.97 55.84 1dk2 s LYS 84 Cb 0.00 0.23 0.05 0.00 -1.51 0.00 0.00 37.83 36.60 1dk2 s LYS 84 CO 0.00 -0.12 0.16 -0.51 -0.36 0.00 0.00 175.35 174.52 1dk2 s LEU 85 N -0.64 -0.07 -0.12 5.43 1.43 -1.26 -5.03 118.68 118.42 1dk2 s LEU 85 Ca 0.01 0.30 -0.09 0.00 -1.03 0.00 0.00 54.13 53.32 1dk2 s LEU 85 Cb -0.02 0.27 -0.26 0.00 0.03 0.00 0.00 46.19 46.21 1dk2 s LEU 85 CO -0.03 -0.25 0.39 -0.08 0.23 0.00 0.00 176.35 176.61 1dk2 h GLU 86 N 8.36 0.25 -0.01 1.70 4.57 -2.08 -3.56 114.58 123.81 1dk2 h GLU 86 Ca -0.13 -0.43 0.00 0.00 -1.18 0.00 0.00 59.36 57.62 1dk2 h GLU 86 Cb 1.12 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 1dk2 h GLU 86 CO 0.15 1.21 0.00 1.17 -1.18 0.00 0.00 179.01 180.36