#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dk2 n LYS 3 N 0.00 -4.85 -1.96 4.33 4.81 -1.26 -4.89 118.16 114.34 1dk2 n LYS 3 Ca 0.00 3.60 -0.37 0.00 -0.87 0.00 0.00 58.31 60.67 1dk2 n LYS 3 Cb 0.00 -5.01 0.03 0.00 0.02 0.00 0.00 35.03 30.07 1dk2 n LYS 3 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1dk2 s ARG 4 N -0.65 3.19 -0.36 1.64 0.52 -1.26 -4.20 118.95 117.83 1dk2 s ARG 4 Ca -0.21 2.00 -0.07 0.00 -0.52 0.00 0.00 55.73 56.93 1dk2 s ARG 4 Cb 0.01 -2.17 0.01 0.00 0.52 0.00 0.00 34.95 33.32 1dk2 s ARG 4 CO 0.56 -1.08 0.27 1.17 0.02 0.00 0.00 175.30 176.24 1dk2 n LYS 5 N -1.12 -3.01 -2.85 3.54 3.00 -1.26 -5.00 118.16 111.46 1dk2 n LYS 5 Ca 0.11 2.50 -0.26 0.00 -0.00 0.00 0.00 58.31 60.66 1dk2 n LYS 5 Cb 0.47 -5.51 0.00 0.00 0.00 0.00 0.00 35.03 29.99 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 -2.06 3.53 -0.33 3.14 0.00 -1.26 -4.98 121.76 119.79 1dk2 s ALA 6 Ca 0.11 -0.74 -0.05 0.00 0.00 0.00 0.00 51.96 51.29 1dk2 s ALA 6 Cb -0.03 -2.39 -0.06 0.00 0.00 0.00 0.00 23.12 20.64 1dk2 s ALA 6 CO 0.78 -0.34 3.08 -0.35 0.00 0.00 0.00 175.76 178.93 1dk2 n PRO 7 N -2.15 2.35 -2.95 0.00 -0.04 -1.26 -4.95 135.00 125.98 1dk2 n PRO 7 Ca -0.00 -1.88 -0.27 0.00 -0.04 0.00 0.00 63.50 61.31 1dk2 n PRO 7 Cb 0.56 -2.12 -0.01 0.00 -0.04 0.00 0.00 33.50 31.89 1dk2 n PRO 7 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1dk2 s GLN 8 N -0.62 3.57 0.47 0.54 2.00 -1.26 -5.10 119.66 119.27 1dk2 s GLN 8 Ca 0.62 0.07 0.08 0.00 -2.00 0.00 0.00 55.36 54.13 1dk2 s GLN 8 Cb 0.35 -2.49 0.03 0.00 0.80 0.00 0.00 33.01 31.70 1dk2 s GLN 8 CO -0.13 -0.03 0.65 -1.21 -0.50 0.00 0.00 175.29 174.06 1dk2 s GLU 9 N -4.35 2.66 -0.00 1.67 2.02 -1.26 -5.04 118.70 114.40 1dk2 s GLU 9 Ca 0.45 -1.32 0.02 0.00 0.02 0.00 0.00 54.97 54.15 1dk2 s GLU 9 Cb -0.10 -2.71 -0.02 0.00 0.10 0.00 0.00 34.13 31.40 1dk2 s GLU 9 CO 0.39 -0.47 0.08 -2.37 0.02 0.00 0.00 175.26 172.91 1dk2 n THR 10 N -2.00 0.00 0.00 3.63 5.66 -1.26 -4.46 114.28 115.86 1dk2 n THR 10 Ca 0.10 -0.41 -0.01 0.00 -3.05 0.00 0.00 64.05 60.69 1dk2 n THR 10 Cb 0.60 0.94 -0.00 0.00 -1.55 0.00 0.00 70.33 70.31 1dk2 n THR 10 CO 0.00 0.00 0.00 0.17 -3.05 0.00 0.00 175.07 172.19 1dk2 h LEU 11 N 0.00 -0.05 -3.74 1.09 -0.00 -1.96 -3.17 115.31 107.48 1dk2 h LEU 11 Ca 0.00 0.01 -0.48 0.00 -0.00 0.00 0.00 57.88 57.40 1dk2 h LEU 11 Cb 0.05 0.02 -0.28 0.00 -0.00 0.00 0.00 40.66 40.45 1dk2 h LEU 11 CO 0.00 -0.02 0.08 0.59 -0.00 0.00 0.00 178.44 179.09 1dk2 n ASN 12 N -2.54 4.97 -0.27 0.17 3.02 -1.26 -4.56 115.26 114.79 1dk2 n ASN 12 Ca -0.00 -3.76 0.13 0.00 -0.03 0.00 0.00 54.58 50.91 1dk2 n ASN 12 Cb 0.01 -0.68 0.40 0.00 -0.61 0.00 0.00 39.78 38.90 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 -0.94 -0.54 0.12 7.41 0.00 -1.20 -3.73 105.19 106.31 1dk2 n GLY 13 Ca 0.49 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 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 1.32 -0.71 0.10 -0.02 0.00 -1.26 -3.50 105.19 101.12 1dk2 n GLY 14 Ca 0.13 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 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 0.04 1.31 0.00 -0.61 5.03 -1.91 -2.86 117.51 118.52 1dk2 h ILE 15 Ca -0.39 -1.04 -0.00 0.00 -0.12 0.00 0.00 64.86 63.31 1dk2 h ILE 15 Cb 2.03 1.78 -0.00 0.00 -3.03 0.00 0.00 36.82 37.60 1dk2 h ILE 15 CO 0.08 0.29 -0.01 0.00 -0.68 0.00 0.00 178.15 177.83 1dk2 h THR 16 N -0.13 0.97 -0.22 -0.27 1.03 -1.74 -0.46 112.91 112.09 1dk2 h THR 16 Ca 0.02 -0.05 -0.04 0.00 -0.01 0.00 0.00 66.41 66.34 1dk2 h THR 16 Cb 0.48 1.03 -0.01 0.00 -1.07 0.00 0.00 68.15 68.58 1dk2 h THR 16 CO 0.01 0.01 -0.03 -0.78 -0.01 0.00 0.00 175.52 174.73 1dk2 h ASP 17 N 0.00 0.31 0.70 0.00 3.58 -1.54 0.12 116.42 119.59 1dk2 h ASP 17 Ca -0.00 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.40 1dk2 h ASP 17 Cb 0.03 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.00 1dk2 h ASP 17 CO 0.00 0.39 -0.70 0.23 -2.88 0.00 0.00 179.24 176.28 1dk2 n MET 18 N -4.32 0.25 0.01 0.28 2.81 -0.28 -2.66 117.12 113.20 1dk2 n MET 18 Ca 0.00 0.05 -0.15 0.00 -1.81 0.00 0.00 57.70 55.79 1dk2 n MET 18 Cb 0.22 -1.63 -0.14 0.00 -0.71 0.00 0.00 33.22 30.95 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 0.25 0.02 4.03 3.38 -0.40 -3.08 115.31 119.50 1dk2 h LEU 19 Ca 0.00 -0.49 -0.23 0.00 0.09 0.00 0.00 57.88 57.25 1dk2 h LEU 19 Cb 0.70 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1dk2 h LEU 19 CO 0.00 1.43 -1.07 0.58 0.09 0.00 0.00 178.44 179.47 1dk2 h VAL 20 N 0.04 1.63 0.46 1.22 2.07 -0.92 -1.93 116.25 118.83 1dk2 h VAL 20 Ca -0.33 -3.25 -0.02 0.00 0.82 0.00 0.00 66.70 63.93 1dk2 h VAL 20 Cb 2.02 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 34.65 1dk2 h VAL 20 CO 0.10 0.93 -0.22 -0.08 0.02 0.00 0.00 177.57 178.32 1dk2 h GLU 21 N 0.03 -0.60 -0.41 1.57 4.81 -1.64 -2.98 114.58 115.36 1dk2 h GLU 21 Ca -0.05 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1dk2 h GLU 21 Cb 1.81 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 31.31 1dk2 h GLU 21 CO 0.15 -0.36 0.09 1.37 -0.73 0.00 0.00 179.01 179.54 1dk2 h LEU 22 N -1.13 0.55 -0.88 1.64 8.10 -1.68 -2.46 115.31 119.47 1dk2 h LEU 22 Ca -0.06 -0.08 0.16 0.00 0.11 0.00 0.00 57.88 58.00 1dk2 h LEU 22 Cb 0.52 -0.14 -0.10 0.00 -0.44 0.00 0.00 40.66 40.50 1dk2 h LEU 22 CO 0.10 0.56 0.46 0.00 -4.11 0.00 0.00 178.44 175.46 1dk2 h ALA 23 N 1.52 1.35 -0.35 0.17 0.00 -1.37 0.49 119.26 121.07 1dk2 h ALA 23 Ca 0.14 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1dk2 h ALA 23 Cb 0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1dk2 h ALA 23 CO -0.00 -0.09 -0.07 -0.91 0.00 0.00 0.00 179.25 178.18 1dk2 h ASN 24 N 0.64 0.56 0.27 0.00 2.35 -1.28 -1.51 115.58 116.60 1dk2 h ASN 24 Ca 0.49 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 56.07 1dk2 h ASN 24 Cb 0.71 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.92 1dk2 h ASN 24 CO -0.37 0.68 -0.15 0.15 -1.65 0.00 0.00 177.43 176.09 1dk2 h PHE 25 N 0.55 0.00 0.04 1.19 3.57 0.02 0.42 116.94 122.73 1dk2 h PHE 25 Ca 0.11 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 1dk2 h PHE 25 Cb 0.45 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1dk2 h PHE 25 CO 0.02 0.15 -0.02 0.93 -2.23 0.00 0.00 178.31 177.16 1dk2 h GLU 26 N 0.00 -0.05 -0.49 1.11 4.39 -0.24 -2.91 114.58 116.38 1dk2 h GLU 26 Ca -0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 1dk2 h GLU 26 Cb 0.32 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1dk2 h GLU 26 CO 0.02 0.38 0.17 -0.22 -1.16 0.00 0.00 179.01 178.20 1dk2 h LYS 27 N -0.98 0.76 -0.08 2.33 3.64 -1.36 -1.78 116.57 119.10 1dk2 h LYS 27 Ca -0.01 -0.16 0.02 0.00 -1.27 0.00 0.00 60.65 59.24 1dk2 h LYS 27 Cb 0.46 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1dk2 h LYS 27 CO 0.01 0.70 0.10 -0.91 -2.27 0.00 0.00 179.45 177.09 1dk2 h ASN 28 N 0.66 0.00 -3.24 4.20 4.21 -0.29 -3.41 115.58 117.70 1dk2 h ASN 28 Ca 0.16 0.00 -0.47 0.00 1.21 0.00 0.00 56.30 57.20 1dk2 h ASN 28 Cb 0.25 0.00 0.05 0.00 -1.12 0.00 0.00 38.32 37.50 1dk2 h ASN 28 CO -0.01 0.00 0.06 -0.69 -1.29 0.00 0.00 177.43 175.50 1dk2 s VAL 29 N -4.55 3.71 0.00 2.81 1.01 -0.67 -5.05 120.40 117.66 1dk2 s VAL 29 Ca -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1dk2 s VAL 29 Cb 0.15 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1dk2 s VAL 29 CO 0.52 -0.38 0.16 -0.24 0.00 0.00 0.00 175.10 175.15 1dk2 n SER 30 N -2.38 0.00 -3.60 3.32 2.88 -1.26 -4.31 113.62 108.26 1dk2 n SER 30 Ca 0.04 0.56 -0.41 0.00 -1.33 0.00 0.00 58.87 57.73 1dk2 n SER 30 Cb 0.58 -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 -1.95 3.74 -2.72 -1.46 1.13 -1.26 -4.37 117.38 110.48 1dk2 n GLN 31 Ca 0.00 -3.00 -0.04 0.00 -1.94 0.00 0.00 57.00 52.02 1dk2 n GLN 31 Cb 0.00 -2.90 0.09 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 3.70 2.57 0.02 -1.58 0.00 -1.26 -4.90 120.51 119.05 1dk2 n ALA 32 Ca 0.58 -1.92 0.04 0.00 0.00 0.00 0.00 53.44 52.14 1dk2 n ALA 32 Cb 0.31 -0.89 -0.10 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.85 0.74 0.02 0.00 0.13 -1.26 -3.12 119.36 115.02 1dk2 n ILE 33 Ca -0.03 -0.63 -0.12 0.00 -1.10 0.00 0.00 62.75 60.86 1dk2 n ILE 33 Cb 0.84 -0.39 -0.09 0.00 -0.84 0.00 0.00 39.64 39.16 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 -0.10 0.00 9.51 2.07 -1.96 -3.09 115.15 121.58 1dk2 h HIS 34 Ca -0.14 -0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.32 1dk2 h HIS 34 Cb 1.38 0.03 -0.01 0.00 2.57 0.00 0.00 27.41 31.38 1dk2 h HIS 34 CO 0.00 0.39 -0.28 1.57 -3.07 0.00 0.00 177.93 176.54 1dk2 h LYS 35 N -0.65 0.00 -0.07 5.12 2.10 -1.95 -3.14 116.57 117.97 1dk2 h LYS 35 Ca -0.01 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.68 1dk2 h LYS 35 Cb 0.53 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.81 1dk2 h LYS 35 CO 0.02 0.28 -0.26 -0.92 -2.00 0.00 0.00 179.45 176.57 1dk2 h TYR 36 N 0.00 -0.70 0.00 0.07 3.20 -1.48 0.86 116.97 118.93 1dk2 h TYR 36 Ca -0.00 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 1dk2 h TYR 36 Cb 0.73 0.32 -0.00 0.00 1.54 0.00 0.00 36.73 39.32 1dk2 h TYR 36 CO 0.00 -0.34 -0.13 -0.97 -1.64 0.00 0.00 178.16 175.08 1dk2 h ASN 37 N -0.36 0.00 0.39 -2.11 -0.73 -1.50 -1.73 115.58 109.54 1dk2 h ASN 37 Ca 0.08 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.24 1dk2 h ASN 37 Cb 0.48 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.06 1dk2 h ASN 37 CO -0.28 0.13 -0.32 0.00 -0.37 0.00 0.00 177.43 176.59 1dk2 h ALA 38 N 1.87 -1.06 0.00 1.57 0.00 -0.81 -1.80 119.26 119.04 1dk2 h ALA 38 Ca -0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1dk2 h ALA 38 Cb 0.27 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1dk2 h ALA 38 CO 0.02 -1.06 -0.23 1.88 0.00 0.00 0.00 179.25 179.86 1dk2 h TYR 39 N -0.69 0.00 0.48 0.00 -1.99 -1.42 -2.93 116.97 110.42 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 0.58 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.32 1dk2 h TYR 39 CO -0.13 0.23 -0.23 0.00 -0.00 0.00 0.00 178.16 178.03 1dk2 h ARG 40 N 0.00 -0.62 -0.58 4.88 2.47 -1.07 0.39 114.38 119.84 1dk2 h ARG 40 Ca -0.00 0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.73 1dk2 h ARG 40 Cb 0.76 0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 29.19 1dk2 h ARG 40 CO 0.03 -0.35 0.26 1.57 0.56 0.00 0.00 179.97 182.05 1dk2 h LYS 41 N -0.81 0.85 0.00 0.04 2.10 -1.36 -2.14 116.57 115.26 1dk2 h LYS 41 Ca -0.07 -0.14 -0.06 0.00 -2.00 0.00 0.00 60.65 58.38 1dk2 h LYS 41 Cb 0.57 -0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 31.74 1dk2 h LYS 41 CO 0.11 0.71 -0.30 0.00 -2.00 0.00 0.00 179.45 177.97 1dk2 h ALA 42 N 1.10 1.28 0.00 0.07 0.00 -1.46 -1.91 119.26 118.35 1dk2 h ALA 42 Ca 0.20 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1dk2 h ALA 42 Cb 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1dk2 h ALA 42 CO -0.02 0.37 -0.27 0.00 0.00 0.00 0.00 179.25 179.33 1dk2 h ALA 43 N 1.70 1.00 0.00 0.00 0.00 0.44 -2.30 119.26 120.10 1dk2 h ALA 43 Ca -0.00 -0.25 -0.24 0.00 0.00 0.00 0.00 54.91 54.42 1dk2 h ALA 43 Cb 0.61 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1dk2 h ALA 43 CO 0.04 0.34 -1.30 -1.13 0.00 0.00 0.00 179.25 177.20 1dk2 n SER 44 N -3.42 1.86 0.05 0.00 3.41 -0.91 -2.32 113.62 112.29 1dk2 n SER 44 Ca 0.00 0.42 0.04 0.00 -0.26 0.00 0.00 58.87 59.07 1dk2 n SER 44 Cb 0.47 -0.96 0.44 0.00 -0.26 0.00 0.00 64.21 63.89 1dk2 n SER 44 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1dk2 h VAL 45 N -0.99 1.11 0.01 -3.33 3.04 -1.45 0.82 116.25 115.46 1dk2 h VAL 45 Ca -0.36 -0.29 -0.27 0.00 -1.01 0.00 0.00 66.70 64.77 1dk2 h VAL 45 Cb 1.32 0.70 -0.04 0.00 -2.01 0.00 0.00 31.29 31.26 1dk2 h VAL 45 CO -0.21 0.12 -1.51 0.40 -1.01 0.00 0.00 177.57 175.35 1dk2 h ILE 46 N 0.43 1.10 0.00 3.17 2.04 -1.58 -3.13 117.51 119.54 1dk2 h ILE 46 Ca 0.11 -2.90 0.00 0.00 1.00 0.00 0.00 64.86 63.08 1dk2 h ILE 46 Cb 0.03 2.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 1dk2 h ILE 46 CO -0.02 0.65 -0.66 0.00 0.00 0.00 0.00 178.15 178.13 1dk2 h ALA 47 N 0.94 0.64 -0.29 1.87 0.00 -1.04 -3.32 119.26 118.05 1dk2 h ALA 47 Ca -0.21 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1dk2 h ALA 47 Cb 1.95 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.67 1dk2 h ALA 47 CO 0.10 0.00 -0.05 1.17 0.00 0.00 0.00 179.25 180.46 1dk2 n LYS 48 N -2.57 2.13 -3.31 0.00 4.81 0.28 -4.96 118.16 114.54 1dk2 n LYS 48 Ca 0.02 -3.03 -0.38 0.00 -0.87 0.00 0.00 58.31 54.04 1dk2 n LYS 48 Cb 0.51 -1.80 -0.06 0.00 0.02 0.00 0.00 35.03 33.70 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 -3.09 3.80 -1.75 5.64 5.04 -1.18 -4.94 117.35 120.86 1dk2 s TYR 49 Ca 0.43 1.23 0.07 0.00 -2.44 0.00 0.00 57.07 56.36 1dk2 s TYR 49 Cb 0.38 -2.46 0.23 0.00 0.35 0.00 0.00 41.96 40.46 1dk2 s TYR 49 CO 0.03 0.60 1.13 -0.35 -1.34 0.00 0.00 175.55 175.62 1dk2 n PRO 50 N 1.73 1.73 -4.10 4.97 -0.04 -1.26 -4.90 135.00 133.14 1dk2 n PRO 50 Ca -0.11 -0.94 -0.11 0.00 -0.04 0.00 0.00 63.50 62.30 1dk2 n PRO 50 Cb 0.51 -1.31 -0.07 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.65 0.78 0.12 0.54 3.76 -1.26 -5.16 115.29 112.41 1dk2 s HIS 51 Ca 0.17 -1.06 -0.08 0.00 -0.15 0.00 0.00 55.06 53.94 1dk2 s HIS 51 Cb 0.10 -0.16 -0.06 0.00 1.11 0.00 0.00 32.58 33.57 1dk2 s HIS 51 CO 0.10 -0.86 0.40 0.21 -0.85 0.00 0.00 174.74 173.75 1dk2 s LYS 52 N -3.99 3.71 -0.13 1.40 2.36 -1.26 -4.75 119.74 117.08 1dk2 s LYS 52 Ca 0.30 0.08 -0.12 0.00 -2.55 0.00 0.00 55.97 53.68 1dk2 s LYS 52 Cb 0.03 -2.91 -0.05 0.00 -1.05 0.00 0.00 37.83 33.85 1dk2 s LYS 52 CO 0.12 0.50 0.26 0.42 1.55 0.00 0.00 175.35 178.20 1dk2 s ILE 53 N -1.54 5.31 -0.19 5.43 1.01 -1.26 -5.00 121.20 124.97 1dk2 s ILE 53 Ca 0.37 0.48 -0.17 0.00 0.00 0.00 0.00 60.65 61.34 1dk2 s ILE 53 Cb -0.13 -3.57 -0.07 0.00 0.01 0.00 0.00 42.46 38.70 1dk2 s ILE 53 CO 0.21 0.48 -0.34 0.29 0.00 0.00 0.00 174.94 175.58 1dk2 n LYS 54 N 2.89 0.52 -4.10 2.79 4.01 -1.26 -5.01 118.16 118.00 1dk2 n LYS 54 Ca -0.15 0.21 -0.22 0.00 -0.51 0.00 0.00 58.31 57.65 1dk2 n LYS 54 Cb 0.53 -1.41 -0.04 0.00 -0.51 0.00 0.00 35.03 33.60 1dk2 n LYS 54 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1dk2 s SER 55 N -6.22 5.61 0.42 4.39 0.01 -1.26 -4.80 113.70 111.85 1dk2 s SER 55 Ca -0.30 -0.22 0.12 0.00 1.31 0.00 0.00 55.95 56.86 1dk2 s SER 55 Cb 0.06 -1.45 0.92 0.00 0.21 0.00 0.00 66.02 65.76 1dk2 s SER 55 CO 0.43 -0.04 1.98 1.23 0.41 0.00 0.00 173.24 177.25 1dk2 h GLY 56 N 1.47 0.16 1.90 3.44 0.00 -1.82 -1.62 103.07 106.59 1dk2 h GLY 56 Ca -0.49 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 46.73 1dk2 h GLY 56 CO 0.61 0.08 -0.06 0.00 0.00 0.00 0.00 176.54 177.17 1dk2 h ALA 57 N 1.75 1.74 0.00 3.60 0.00 -1.95 -0.74 119.26 123.67 1dk2 h ALA 57 Ca 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1dk2 h ALA 57 Cb 0.28 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1dk2 h ALA 57 CO 0.02 0.20 -0.09 1.49 0.00 0.00 0.00 179.25 180.86 1dk2 h GLU 58 N 0.13 0.00 0.00 0.00 4.81 -1.69 -2.29 114.58 115.53 1dk2 h GLU 58 Ca 0.03 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.02 1dk2 h GLU 58 Cb 0.19 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1dk2 h GLU 58 CO 0.01 0.09 -1.31 0.00 -0.73 0.00 0.00 179.01 177.07 1dk2 h ALA 59 N 1.91 0.58 -0.01 2.92 0.00 -1.19 -3.34 119.26 120.12 1dk2 h ALA 59 Ca -0.00 -1.13 -0.24 0.00 0.00 0.00 0.00 54.91 53.53 1dk2 h ALA 59 Cb 0.46 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1dk2 h ALA 59 CO 0.01 1.35 -0.97 -0.22 0.00 0.00 0.00 179.25 179.42 1dk2 h LYS 60 N 0.00 0.59 -0.01 0.00 3.64 -1.21 -3.12 116.57 116.46 1dk2 h LYS 60 Ca -0.14 -0.61 0.00 0.00 -1.27 0.00 0.00 60.65 58.63 1dk2 h LYS 60 Cb 1.85 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 33.84 1dk2 h LYS 60 CO 0.10 1.22 0.01 1.57 -2.27 0.00 0.00 179.45 180.08 1dk2 h LYS 61 N 0.34 0.00 -7.11 1.90 2.10 -1.55 -3.43 116.57 108.82 1dk2 h LYS 61 Ca -0.10 0.00 -0.51 0.00 -2.00 0.00 0.00 60.65 58.04 1dk2 h LYS 61 Cb 1.62 0.00 0.08 0.00 -0.90 0.00 0.00 32.23 33.03 1dk2 h LYS 61 CO 0.18 0.00 0.42 -0.51 -2.00 0.00 0.00 179.45 177.55 1dk2 s LEU 62 N -7.38 3.66 -0.73 7.07 1.43 -1.18 -4.94 118.68 116.61 1dk2 s LEU 62 Ca -0.05 2.17 -0.27 0.00 -1.03 0.00 0.00 54.13 54.95 1dk2 s LEU 62 Cb 0.15 -4.58 0.03 0.00 0.03 0.00 0.00 46.19 41.82 1dk2 s LEU 62 CO 0.52 -1.37 1.32 -2.16 0.23 0.00 0.00 176.35 174.89 1dk2 s PRO 63 N -3.46 3.16 0.00 1.29 0.04 -1.26 -3.30 135.00 131.46 1dk2 s PRO 63 Ca 0.72 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.57 1dk2 s PRO 63 Cb -0.24 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.10 1dk2 s PRO 63 CO 0.31 -2.19 0.00 0.41 0.04 0.00 0.00 177.00 175.57 1dk2 n GLY 64 N 5.41 1.15 3.80 0.56 0.00 -1.26 -4.82 105.19 110.03 1dk2 n GLY 64 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 4.81 0.00 1.61 1.01 -1.21 -3.73 120.40 122.89 1dk2 s VAL 65 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 61.98 63.16 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 1.89 1.86 0.08 4.51 0.00 -1.26 -4.85 105.19 107.42 1dk2 n GLY 66 Ca -0.10 -1.83 -0.06 0.00 0.00 0.00 0.00 46.02 44.02 1dk2 n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dk2 n THR 67 N 0.00 1.14 0.14 2.61 -2.24 -1.26 -3.53 114.28 111.15 1dk2 n THR 67 Ca 0.00 -0.79 -0.07 0.00 -2.27 0.00 0.00 64.05 60.92 1dk2 n THR 67 Cb 0.00 -0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 67.82 1dk2 n THR 67 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1dk2 h LYS 68 N 0.00 -0.41 -0.23 -0.78 1.57 -1.99 -3.08 116.57 111.65 1dk2 h LYS 68 Ca -0.45 0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.29 1dk2 h LYS 68 Cb 2.03 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 34.42 1dk2 h LYS 68 CO 0.02 -0.28 -0.13 0.82 -0.57 0.00 0.00 179.45 179.32 1dk2 h ILE 69 N -0.92 1.21 0.10 1.86 1.08 -1.89 -3.02 117.51 115.93 1dk2 h ILE 69 Ca -0.04 -0.93 0.02 0.00 -0.39 0.00 0.00 64.86 63.51 1dk2 h ILE 69 Cb 0.33 1.19 -0.05 0.00 -3.07 0.00 0.00 36.82 35.22 1dk2 h ILE 69 CO 0.07 0.30 -0.42 0.00 -0.69 0.00 0.00 178.15 177.41 1dk2 h ALA 70 N 1.52 -0.73 -0.30 1.87 0.00 -1.64 0.09 119.26 120.06 1dk2 h ALA 70 Ca 0.07 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1dk2 h ALA 70 Cb 0.45 0.71 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1dk2 h ALA 70 CO 0.03 -0.98 0.21 1.05 0.00 0.00 0.00 179.25 179.55 1dk2 h GLU 71 N -0.64 0.17 0.00 0.00 4.11 -1.48 0.12 114.58 116.86 1dk2 h GLU 71 Ca 0.02 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.42 1dk2 h GLU 71 Cb 0.68 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1dk2 h GLU 71 CO -0.25 0.11 -0.12 -0.22 0.07 0.00 0.00 179.01 178.60 1dk2 h LYS 72 N 0.17 0.00 -0.19 1.06 3.11 -0.88 -2.30 116.57 117.54 1dk2 h LYS 72 Ca 0.13 0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 57.86 1dk2 h LYS 72 Cb 0.31 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.54 1dk2 h LYS 72 CO -0.02 0.12 -0.32 0.82 -2.81 0.00 0.00 179.45 177.24 1dk2 h ILE 73 N 0.00 1.34 -0.35 2.00 1.08 0.10 -2.89 117.51 118.79 1dk2 h ILE 73 Ca -0.00 -1.54 0.07 0.00 -0.39 0.00 0.00 64.86 63.00 1dk2 h ILE 73 Cb 0.23 1.87 -0.07 0.00 -3.07 0.00 0.00 36.82 35.78 1dk2 h ILE 73 CO 0.02 0.47 -0.12 -0.78 -0.69 0.00 0.00 178.15 177.05 1dk2 h ASP 74 N 0.21 -0.42 0.06 1.72 1.82 -1.31 0.16 116.42 118.66 1dk2 h ASP 74 Ca 0.01 0.12 -0.02 0.00 -0.39 0.00 0.00 57.03 56.75 1dk2 h ASP 74 Cb 0.91 0.25 -0.00 0.00 0.68 0.00 0.00 39.33 41.17 1dk2 h ASP 74 CO 0.07 -0.15 -0.07 1.05 -1.61 0.00 0.00 179.24 178.54 1dk2 h GLU 75 N -0.05 0.03 -0.52 0.28 4.11 -1.56 0.46 114.58 117.35 1dk2 h GLU 75 Ca 0.17 -0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.54 1dk2 h GLU 75 Cb 0.31 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1dk2 h GLU 75 CO -0.38 0.10 0.09 0.74 0.07 0.00 0.00 179.01 179.63 1dk2 h PHE 76 N 0.03 0.90 0.00 2.06 0.04 -0.52 -2.84 116.94 116.61 1dk2 h PHE 76 Ca 0.01 -0.12 -0.07 0.00 2.80 0.00 0.00 57.97 60.59 1dk2 h PHE 76 Cb 0.14 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 1dk2 h PHE 76 CO 0.00 0.81 -0.62 -0.07 -0.60 0.00 0.00 178.31 177.83 1dk2 h LEU 77 N 0.73 0.00 0.00 1.54 -0.00 -0.23 -3.35 115.31 114.00 1dk2 h LEU 77 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.04 1dk2 h LEU 77 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 1dk2 h LEU 77 CO 0.01 0.27 0.00 0.00 -0.00 0.00 0.00 178.44 178.72 1dk2 n ALA 78 N -2.21 -0.12 0.00 1.53 0.00 0.15 -4.83 120.51 115.03 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 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 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 -0.89 0.00 -0.97 0.00 5.66 -1.18 -5.08 114.28 111.81 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 -0.56 0.00 0.00 -1.55 0.00 0.00 70.33 68.22 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 2.67 0.91 3.21 1.09 0.00 -1.12 -5.03 105.19 106.92 1dk2 n GLY 80 Ca 0.00 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.65 1.14 -0.78 1.61 1.02 -1.26 -5.09 119.74 113.74 1dk2 s LYS 81 Ca 0.00 -1.59 -0.20 0.00 0.02 0.00 0.00 55.97 54.21 1dk2 s LYS 81 Cb 0.00 0.12 0.11 0.00 -0.52 0.00 0.00 37.83 37.54 1dk2 s LYS 81 CO 0.00 -0.31 0.98 -0.51 -0.92 0.00 0.00 175.35 174.60 1dk2 s LEU 82 N -3.15 4.97 0.37 3.17 2.01 -1.26 -5.02 118.68 119.77 1dk2 s LEU 82 Ca 0.33 -1.62 -0.28 0.00 0.01 0.00 0.00 54.13 52.57 1dk2 s LEU 82 Cb 0.07 -2.38 -0.10 0.00 0.01 0.00 0.00 46.19 43.79 1dk2 s LEU 82 CO 0.08 -1.18 1.41 -0.13 1.01 0.00 0.00 176.35 177.55 1dk2 s ARG 83 N 3.03 4.15 -0.06 1.70 0.52 -1.26 -4.95 118.95 122.07 1dk2 s ARG 83 Ca 0.25 2.42 -0.09 0.00 -0.52 0.00 0.00 55.73 57.79 1dk2 s ARG 83 Cb -0.12 -2.96 -0.03 0.00 0.52 0.00 0.00 34.95 32.35 1dk2 s ARG 83 CO -0.00 -0.44 -0.17 1.63 0.02 0.00 0.00 175.30 176.33 1dk2 n LYS 84 N 0.49 0.26 -2.50 3.54 4.76 -1.26 -5.02 118.16 118.44 1dk2 n LYS 84 Ca 0.01 0.10 -0.31 0.00 -2.87 0.00 0.00 58.31 55.25 1dk2 n LYS 84 Cb 0.40 -0.92 -0.02 0.00 -1.84 0.00 0.00 35.03 32.65 1dk2 n LYS 84 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1dk2 s LEU 85 N -6.98 3.64 -0.13 -0.35 1.43 -1.26 -5.00 118.68 110.03 1dk2 s LEU 85 Ca -0.14 1.34 0.11 0.00 -1.03 0.00 0.00 54.13 54.40 1dk2 s LEU 85 Cb 0.02 -4.28 -0.16 0.00 0.03 0.00 0.00 46.19 41.81 1dk2 s LEU 85 CO 0.21 -0.56 0.02 -0.62 0.23 0.00 0.00 176.35 175.64 1dk2 n GLU 86 N -1.70 1.71 0.00 1.70 -0.58 -1.26 -5.25 120.64 115.26 1dk2 n GLU 86 Ca 0.05 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.90 1dk2 n GLU 86 Cb 0.54 -1.34 0.09 0.00 -0.57 0.00 0.00 31.44 30.17 1dk2 n GLU 86 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82