#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 -2.97 0.00 4.33 4.81 -1.26 -5.02 118.16 118.06 1dk2 n LYS 3 Ca 0.00 2.48 0.00 0.00 -0.87 0.00 0.00 58.31 59.92 1dk2 n LYS 3 Cb 0.00 -5.55 0.00 0.00 0.02 0.00 0.00 35.03 29.50 1dk2 n LYS 3 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1dk2 n ARG 4 N 0.21 0.00 -2.78 1.64 3.00 -1.26 -5.07 116.66 112.40 1dk2 n ARG 4 Ca 0.06 0.07 -0.05 0.00 -0.01 0.00 0.00 57.85 57.92 1dk2 n ARG 4 Cb 0.23 -0.53 0.01 0.00 0.00 0.00 0.00 32.46 32.17 1dk2 n ARG 4 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1dk2 n LYS 5 N -2.33 -2.76 -1.18 5.56 4.81 -1.26 -4.99 118.16 116.01 1dk2 n LYS 5 Ca 0.00 2.35 -0.30 0.00 -0.87 0.00 0.00 58.31 59.49 1dk2 n LYS 5 Cb 0.00 -5.52 0.22 0.00 0.02 0.00 0.00 35.03 29.75 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 -2.23 0.83 0.46 3.14 0.00 -1.26 -5.04 121.76 117.66 1dk2 s ALA 6 Ca 0.16 -0.86 -0.08 0.00 0.00 0.00 0.00 51.96 51.18 1dk2 s ALA 6 Cb -0.04 -2.92 -0.05 0.00 0.00 0.00 0.00 23.12 20.11 1dk2 s ALA 6 CO 0.76 -3.33 0.80 -1.25 0.00 0.00 0.00 175.76 172.74 1dk2 s PRO 7 N -5.36 3.65 0.05 0.00 0.04 -1.26 -5.03 135.00 127.09 1dk2 s PRO 7 Ca 0.70 0.36 -0.31 0.00 0.04 0.00 0.00 61.00 61.79 1dk2 s PRO 7 Cb -0.11 -2.36 -0.06 0.00 0.04 0.00 0.00 34.50 32.01 1dk2 s PRO 7 CO 0.56 -0.16 1.34 -0.65 0.04 0.00 0.00 177.00 178.13 1dk2 s GLN 8 N -4.38 4.34 0.15 4.56 -1.52 -1.26 -5.00 119.66 116.54 1dk2 s GLN 8 Ca 0.50 1.93 -0.14 0.00 -1.95 0.00 0.00 55.36 55.70 1dk2 s GLN 8 Cb -0.10 -3.41 0.02 0.00 -0.22 0.00 0.00 33.01 29.30 1dk2 s GLN 8 CO 0.40 -0.44 0.39 -1.83 -0.25 0.00 0.00 175.29 173.55 1dk2 s GLU 9 N 1.64 1.14 -0.96 2.91 -1.05 -1.26 -5.10 118.70 116.03 1dk2 s GLU 9 Ca 0.62 -0.86 -0.09 0.00 -0.15 0.00 0.00 54.97 54.50 1dk2 s GLU 9 Cb -0.32 0.45 0.24 0.00 -0.44 0.00 0.00 34.13 34.06 1dk2 s GLU 9 CO 0.28 -0.45 0.91 0.95 0.95 0.00 0.00 175.26 177.91 1dk2 s THR 10 N -3.86 5.46 -0.00 1.83 -4.23 -1.26 -4.81 115.64 108.77 1dk2 s THR 10 Ca 0.07 -3.20 -0.00 0.00 -1.18 0.00 0.00 61.69 57.38 1dk2 s THR 10 Cb 0.02 -4.33 -0.00 0.00 1.34 0.00 0.00 72.50 69.52 1dk2 s THR 10 CO -0.07 -1.10 -0.01 -0.11 -0.54 0.00 0.00 174.62 172.79 1dk2 n LEU 11 N 3.05 0.05 -2.13 4.79 7.94 -1.26 -4.89 117.00 124.55 1dk2 n LEU 11 Ca 0.19 0.01 -0.06 0.00 -1.11 0.00 0.00 56.01 55.04 1dk2 n LEU 11 Cb 0.41 -0.26 0.05 0.00 0.53 0.00 0.00 43.42 44.16 1dk2 n LEU 11 CO 0.40 -0.50 0.10 0.59 -1.11 0.00 0.00 177.39 176.87 1dk2 n ASN 12 N -2.55 2.48 -0.33 1.96 3.02 -1.26 -4.80 115.26 113.78 1dk2 n ASN 12 Ca -0.00 -2.74 0.14 0.00 -0.03 0.00 0.00 54.58 51.95 1dk2 n ASN 12 Cb 0.01 -0.41 0.64 0.00 -0.61 0.00 0.00 39.78 39.40 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 -0.51 -0.31 0.12 7.41 0.00 -1.26 -3.78 105.19 106.86 1dk2 n GLY 13 Ca 0.19 -0.36 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 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 1.10 -0.67 0.24 -0.02 0.00 -1.26 -3.67 105.19 100.91 1dk2 n GLY 14 Ca 0.20 -0.22 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 0.55 -0.87 -0.61 2.04 -1.95 -2.88 117.51 113.83 1dk2 h ILE 15 Ca -0.40 -0.48 0.24 0.00 1.00 0.00 0.00 64.86 65.22 1dk2 h ILE 15 Cb 2.03 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 38.83 1dk2 h ILE 15 CO 0.08 0.08 0.61 0.00 0.00 0.00 0.00 178.15 178.92 1dk2 h THR 16 N -0.83 0.60 0.00 -0.27 1.03 -1.75 0.54 112.91 112.22 1dk2 h THR 16 Ca -0.05 -0.04 -0.05 0.00 -0.01 0.00 0.00 66.41 66.26 1dk2 h THR 16 Cb 0.54 0.47 -0.01 0.00 -1.07 0.00 0.00 68.15 68.08 1dk2 h THR 16 CO 0.09 0.02 -0.23 -0.78 -0.01 0.00 0.00 175.52 174.61 1dk2 h ASP 17 N 0.12 0.00 1.11 0.00 3.58 -1.58 0.37 116.42 120.01 1dk2 h ASP 17 Ca 0.43 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.88 1dk2 h ASP 17 Cb 1.51 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.56 1dk2 h ASP 17 CO -0.06 0.23 -0.89 0.24 -2.88 0.00 0.00 179.24 175.88 1dk2 h MET 18 N 0.00 0.00 0.05 0.28 2.86 0.09 -2.94 114.93 115.28 1dk2 h MET 18 Ca -0.00 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.33 1dk2 h MET 18 Cb 0.42 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.05 1dk2 h MET 18 CO 0.03 0.01 -1.75 -0.07 1.06 0.00 0.00 176.91 176.18 1dk2 h LEU 19 N 0.00 0.16 -0.30 1.22 4.07 -0.67 -3.09 115.31 116.69 1dk2 h LEU 19 Ca -0.00 -0.34 -0.20 0.00 0.08 0.00 0.00 57.88 57.42 1dk2 h LEU 19 Cb 1.01 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.69 1dk2 h LEU 19 CO 0.00 1.30 -0.84 0.58 -1.08 0.00 0.00 178.44 178.40 1dk2 h VAL 20 N 0.03 1.43 0.53 1.22 2.07 -0.42 -0.47 116.25 120.64 1dk2 h VAL 20 Ca -0.31 -2.40 -0.03 0.00 0.82 0.00 0.00 66.70 64.79 1dk2 h VAL 20 Cb 2.01 2.33 0.01 0.00 -1.52 0.00 0.00 31.29 34.12 1dk2 h VAL 20 CO 0.09 0.71 -0.25 -0.08 0.02 0.00 0.00 177.57 178.06 1dk2 h GLU 21 N 0.20 -0.68 -0.06 1.57 4.22 -1.64 -2.85 114.58 115.32 1dk2 h GLU 21 Ca -0.05 0.05 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 1dk2 h GLU 21 Cb 1.45 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.85 1dk2 h GLU 21 CO 0.14 -0.43 -0.04 1.37 -2.18 0.00 0.00 179.01 177.87 1dk2 h LEU 22 N -1.16 0.08 -0.99 1.64 8.10 -1.64 -1.67 115.31 119.66 1dk2 h LEU 22 Ca -0.07 -0.01 0.10 0.00 0.11 0.00 0.00 57.88 58.01 1dk2 h LEU 22 Cb 0.57 -0.02 -0.08 0.00 -0.44 0.00 0.00 40.66 40.69 1dk2 h LEU 22 CO 0.12 0.13 0.63 0.00 -4.11 0.00 0.00 178.44 175.21 1dk2 h ALA 23 N 1.88 1.46 -0.41 0.17 0.00 -1.02 0.24 119.26 121.58 1dk2 h ALA 23 Ca 0.02 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1dk2 h ALA 23 Cb 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1dk2 h ALA 23 CO 0.01 0.28 -0.01 -0.91 0.00 0.00 0.00 179.25 178.61 1dk2 h ASN 24 N 1.03 0.64 0.32 0.00 4.21 -1.06 -1.26 115.58 119.45 1dk2 h ASN 24 Ca 0.47 -0.14 -0.02 0.00 1.21 0.00 0.00 56.30 57.82 1dk2 h ASN 24 Cb 0.39 -0.17 -0.00 0.00 -1.12 0.00 0.00 38.32 37.42 1dk2 h ASN 24 CO -0.24 0.72 -0.10 0.15 -1.29 0.00 0.00 177.43 176.67 1dk2 h PHE 25 N 0.63 0.00 0.25 1.19 3.57 -0.47 0.30 116.94 122.41 1dk2 h PHE 25 Ca 0.13 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1dk2 h PHE 25 Cb 0.41 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1dk2 h PHE 25 CO 0.02 0.10 -0.12 0.93 -2.23 0.00 0.00 178.31 177.00 1dk2 h GLU 26 N 0.00 -0.32 -0.63 1.11 3.07 -0.36 -2.83 114.58 114.61 1dk2 h GLU 26 Ca -0.00 0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.84 1dk2 h GLU 26 Cb 0.28 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.24 1dk2 h GLU 26 CO 0.01 -0.22 0.24 -0.22 -1.40 0.00 0.00 179.01 177.42 1dk2 h LYS 27 N -0.97 0.96 -0.09 2.33 3.11 -1.45 -1.81 116.57 118.66 1dk2 h LYS 27 Ca -0.03 -0.18 0.02 0.00 -2.81 0.00 0.00 60.65 57.65 1dk2 h LYS 27 Cb 0.26 -0.15 -0.00 0.00 -1.00 0.00 0.00 32.23 31.33 1dk2 h LYS 27 CO 0.06 0.82 0.13 -0.91 -2.81 0.00 0.00 179.45 176.73 1dk2 h ASN 28 N 0.90 0.00 -3.18 4.20 4.21 -0.53 -3.41 115.58 117.77 1dk2 h ASN 28 Ca 0.21 0.00 -0.47 0.00 1.21 0.00 0.00 56.30 57.25 1dk2 h ASN 28 Cb 0.23 0.00 0.04 0.00 -1.12 0.00 0.00 38.32 37.47 1dk2 h ASN 28 CO -0.01 0.00 0.04 -0.69 -1.29 0.00 0.00 177.43 175.48 1dk2 s VAL 29 N -4.49 3.77 0.00 2.81 1.01 -0.68 -5.05 120.40 117.78 1dk2 s VAL 29 Ca -0.05 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1dk2 s VAL 29 Cb 0.14 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1dk2 s VAL 29 CO 0.49 -0.39 0.23 -0.24 0.00 0.00 0.00 175.10 175.20 1dk2 n SER 30 N -2.34 0.00 -3.79 3.32 2.88 -1.26 -4.32 113.62 108.11 1dk2 n SER 30 Ca 0.03 0.60 -0.42 0.00 -1.33 0.00 0.00 58.87 57.76 1dk2 n SER 30 Cb 0.58 -0.49 0.00 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 -1.97 3.81 -2.72 -1.46 1.13 -1.26 -4.48 117.38 110.43 1dk2 n GLN 31 Ca 0.00 -3.52 -0.04 0.00 -1.94 0.00 0.00 57.00 51.50 1dk2 n GLN 31 Cb 0.00 -2.86 0.09 0.00 0.11 0.00 0.00 30.24 27.57 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 3.43 2.54 -0.00 -1.58 0.00 -1.26 -4.91 120.51 118.72 1dk2 n ALA 32 Ca 0.44 -1.93 -0.02 0.00 0.00 0.00 0.00 53.44 51.92 1dk2 n ALA 32 Cb 0.34 -0.90 -0.11 0.00 0.00 0.00 0.00 19.45 18.78 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 -0.80 1.21 -0.02 0.00 0.13 -1.26 -3.02 119.36 115.59 1dk2 n ILE 33 Ca -0.03 -0.72 -0.13 0.00 -1.10 0.00 0.00 62.75 60.77 1dk2 n ILE 33 Cb 0.84 -0.70 -0.10 0.00 -0.84 0.00 0.00 39.64 38.85 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 0.04 0.00 9.51 2.07 -1.96 -2.84 115.15 121.97 1dk2 h HIS 34 Ca -0.23 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.28 1dk2 h HIS 34 Cb 1.72 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 31.70 1dk2 h HIS 34 CO 0.00 0.49 0.00 1.57 -3.07 0.00 0.00 177.93 176.92 1dk2 h LYS 35 N -0.43 0.00 0.77 5.12 -0.00 -1.95 -3.18 116.57 116.90 1dk2 h LYS 35 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 60.62 1dk2 h LYS 35 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.71 1dk2 h LYS 35 CO 0.00 0.00 -0.50 -0.92 -0.00 0.00 0.00 179.45 178.04 1dk2 h TYR 36 N 0.00 -1.33 -0.16 0.07 3.20 -1.41 -1.79 116.97 115.55 1dk2 h TYR 36 Ca 0.00 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.91 1dk2 h TYR 36 Cb 0.52 0.48 -0.01 0.00 1.54 0.00 0.00 36.73 39.26 1dk2 h TYR 36 CO 0.00 -0.73 0.14 -2.95 -1.64 0.00 0.00 178.16 172.98 1dk2 h ASN 37 N -1.19 0.00 -0.01 -2.11 -1.07 -1.54 -1.29 115.58 108.37 1dk2 h ASN 37 Ca -0.10 0.00 0.01 0.00 0.07 0.00 0.00 56.30 56.28 1dk2 h ASN 37 Cb 0.96 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 37.17 1dk2 h ASN 37 CO 0.09 0.00 -0.37 0.00 0.07 0.00 0.00 177.43 177.22 1dk2 h ALA 38 N 1.88 -0.81 0.00 4.14 0.00 -1.31 -1.28 119.26 121.88 1dk2 h ALA 38 Ca 0.08 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1dk2 h ALA 38 Cb 0.35 0.83 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1dk2 h ALA 38 CO -0.00 -0.92 -0.36 1.88 0.00 0.00 0.00 179.25 179.85 1dk2 h TYR 39 N -0.46 0.00 -0.43 0.00 -1.99 -1.42 -2.89 116.97 109.78 1dk2 h TYR 39 Ca 0.01 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 1dk2 h TYR 39 Cb 0.50 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.21 1dk2 h TYR 39 CO -0.48 0.32 0.24 -0.09 -0.00 0.00 0.00 178.16 178.16 1dk2 h ARG 40 N 0.00 0.59 0.06 4.88 1.12 -0.86 0.38 114.38 120.56 1dk2 h ARG 40 Ca -0.01 -0.06 -0.10 0.00 -1.11 0.00 0.00 59.98 58.70 1dk2 h ARG 40 Cb 1.25 -0.12 0.01 0.00 -0.01 0.00 0.00 29.97 31.10 1dk2 h ARG 40 CO 0.04 0.46 -0.45 0.87 -3.11 0.00 0.00 179.97 177.78 1dk2 h LYS 41 N 0.56 0.19 0.00 0.20 1.57 -1.32 -2.83 116.57 114.94 1dk2 h LYS 41 Ca 0.15 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1dk2 h LYS 41 Cb 0.03 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1dk2 h LYS 41 CO -0.03 1.10 -0.10 0.00 -0.57 0.00 0.00 179.45 179.85 1dk2 h ALA 42 N 0.11 1.80 0.00 3.86 0.00 -1.49 -0.43 119.26 123.10 1dk2 h ALA 42 Ca -0.07 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.56 1dk2 h ALA 42 Cb 1.31 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1dk2 h ALA 42 CO 0.08 0.13 -0.86 0.00 0.00 0.00 0.00 179.25 178.61 1dk2 h ALA 43 N 1.90 0.58 0.14 0.00 0.00 -0.28 -2.25 119.26 119.35 1dk2 h ALA 43 Ca -0.00 -0.78 -0.23 0.00 0.00 0.00 0.00 54.91 53.90 1dk2 h ALA 43 Cb 0.19 -0.14 0.03 0.00 0.00 0.00 0.00 17.79 17.87 1dk2 h ALA 43 CO 0.01 1.07 -1.00 1.03 0.00 0.00 0.00 179.25 180.37 1dk2 h SER 44 N 0.00 0.63 -0.24 0.00 0.87 -1.04 -1.91 113.55 111.86 1dk2 h SER 44 Ca -0.01 -0.90 -0.09 0.00 -1.23 0.00 0.00 61.79 59.57 1dk2 h SER 44 Cb 1.52 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1dk2 h SER 44 CO 0.11 1.47 -0.18 1.62 -0.53 0.00 0.00 176.83 179.32 1dk2 h VAL 45 N -0.12 1.31 0.00 2.23 3.04 -1.19 -1.31 116.25 120.21 1dk2 h VAL 45 Ca -0.17 -1.31 -0.09 0.00 -1.01 0.00 0.00 66.70 64.12 1dk2 h VAL 45 Cb 1.75 1.64 -0.01 0.00 -2.01 0.00 0.00 31.29 32.66 1dk2 h VAL 45 CO 0.19 0.41 -0.43 0.40 -1.01 0.00 0.00 177.57 177.12 1dk2 h ILE 46 N 0.26 0.97 0.00 3.17 2.04 -1.53 -0.77 117.51 121.65 1dk2 h ILE 46 Ca 0.05 -1.71 -0.01 0.00 1.00 0.00 0.00 64.86 64.19 1dk2 h ILE 46 Cb 0.72 2.03 -0.00 0.00 -0.74 0.00 0.00 36.82 38.82 1dk2 h ILE 46 CO 0.05 0.42 -0.26 0.00 0.00 0.00 0.00 178.15 178.36 1dk2 h ALA 47 N 1.57 0.87 0.00 1.87 0.00 -1.24 -3.31 119.26 119.01 1dk2 h ALA 47 Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1dk2 h ALA 47 Cb 0.99 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1dk2 h ALA 47 CO 0.06 0.03 -0.40 1.17 0.00 0.00 0.00 179.25 180.11 1dk2 n LYS 48 N -3.01 1.28 -2.80 0.00 0.00 -0.51 -4.95 118.16 108.18 1dk2 n LYS 48 Ca 0.03 -2.87 -0.39 0.00 0.00 0.00 0.00 58.31 55.08 1dk2 n LYS 48 Cb 0.55 -1.39 -0.06 0.00 0.00 0.00 0.00 35.03 34.12 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 -2.70 3.91 -2.07 5.64 5.04 -0.31 -4.94 117.35 121.92 1dk2 s TYR 49 Ca 0.34 1.84 0.12 0.00 -2.44 0.00 0.00 57.07 56.93 1dk2 s TYR 49 Cb 0.33 -2.93 0.52 0.00 0.35 0.00 0.00 41.96 40.23 1dk2 s TYR 49 CO -0.05 0.42 1.37 -0.35 -1.34 0.00 0.00 175.55 175.60 1dk2 n PRO 50 N 1.30 1.43 -4.12 4.97 -0.04 -1.26 -4.90 135.00 132.38 1dk2 n PRO 50 Ca -0.02 -0.66 -0.16 0.00 -0.04 0.00 0.00 63.50 62.63 1dk2 n PRO 50 Cb 0.48 -1.24 -0.04 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.81 1.21 0.40 0.54 3.76 -1.26 -5.18 115.29 112.96 1dk2 s HIS 51 Ca 0.21 -1.39 0.08 0.00 -0.15 0.00 0.00 55.06 53.81 1dk2 s HIS 51 Cb 0.11 -0.17 -0.03 0.00 1.11 0.00 0.00 32.58 33.59 1dk2 s HIS 51 CO 0.16 -1.13 0.28 -1.59 -0.85 0.00 0.00 174.74 171.60 1dk2 s LYS 52 N -2.98 2.43 0.12 1.40 -2.85 -1.26 -4.91 119.74 111.68 1dk2 s LYS 52 Ca 0.32 -1.62 0.05 0.00 -1.00 0.00 0.00 55.97 53.72 1dk2 s LYS 52 Cb -0.00 -2.23 -0.04 0.00 -2.06 0.00 0.00 37.83 33.50 1dk2 s LYS 52 CO 0.23 -0.11 -0.12 0.96 0.10 0.00 0.00 175.35 176.41 1dk2 s ILE 53 N -2.50 1.14 0.00 3.79 -4.36 -1.26 -5.05 121.20 112.96 1dk2 s ILE 53 Ca 0.44 -1.76 0.23 0.00 -0.26 0.00 0.00 60.65 59.30 1dk2 s ILE 53 Cb -0.01 -1.53 0.37 0.00 1.25 0.00 0.00 42.46 42.55 1dk2 s ILE 53 CO 0.25 -0.54 1.15 0.29 0.24 0.00 0.00 174.94 176.33 1dk2 n LYS 54 N 0.39 0.00 -3.56 0.37 5.02 -1.26 -5.06 118.16 114.06 1dk2 n LYS 54 Ca -0.15 -1.87 -0.08 0.00 -2.02 0.00 0.00 58.31 54.19 1dk2 n LYS 54 Cb 0.58 -0.06 -0.03 0.00 -0.02 0.00 0.00 35.03 35.50 1dk2 n LYS 54 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1dk2 s SER 55 N -1.87 -0.30 0.45 4.39 0.15 -1.26 -4.97 113.70 110.29 1dk2 s SER 55 Ca 0.30 0.17 0.14 0.00 0.70 0.00 0.00 55.95 57.25 1dk2 s SER 55 Cb 0.34 0.28 1.01 0.00 -1.71 0.00 0.00 66.02 65.94 1dk2 s SER 55 CO -0.15 -0.39 2.00 1.23 1.20 0.00 0.00 173.24 177.13 1dk2 h GLY 56 N 2.23 0.04 1.12 9.45 0.00 -1.84 -2.21 103.07 111.87 1dk2 h GLY 56 Ca -0.17 -0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 1dk2 h GLY 56 CO 0.29 0.02 0.23 0.00 0.00 0.00 0.00 176.54 177.07 1dk2 h ALA 57 N 1.82 1.05 0.00 3.60 0.00 -1.95 -1.60 119.26 122.18 1dk2 h ALA 57 Ca 0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1dk2 h ALA 57 Cb 0.28 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1dk2 h ALA 57 CO 0.02 0.64 -0.01 0.93 0.00 0.00 0.00 179.25 180.83 1dk2 h GLU 58 N 1.06 0.00 0.00 0.00 5.08 -1.79 -1.35 114.58 117.58 1dk2 h GLU 58 Ca 0.23 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.40 1dk2 h GLU 58 Cb 0.29 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1dk2 h GLU 58 CO -0.01 0.01 -1.47 0.00 -1.00 0.00 0.00 179.01 176.54 1dk2 n ALA 59 N -2.17 1.85 0.03 3.43 0.00 -0.65 -4.10 120.51 118.89 1dk2 n ALA 59 Ca -0.03 -0.58 -0.15 0.00 0.00 0.00 0.00 53.44 52.68 1dk2 n ALA 59 Cb 0.11 -0.94 -0.05 0.00 0.00 0.00 0.00 19.45 18.57 1dk2 n ALA 59 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1dk2 h LYS 60 N 0.00 0.60 -0.02 0.00 3.64 -0.71 -3.09 116.57 116.99 1dk2 h LYS 60 Ca -0.19 -0.56 0.01 0.00 -1.27 0.00 0.00 60.65 58.64 1dk2 h LYS 60 Cb 1.67 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 33.63 1dk2 h LYS 60 CO 0.05 1.18 0.02 1.57 -2.27 0.00 0.00 179.45 180.00 1dk2 h LYS 61 N 0.38 0.00 -7.05 1.90 2.10 -1.55 -3.43 116.57 108.92 1dk2 h LYS 61 Ca -0.07 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 58.03 1dk2 h LYS 61 Cb 1.50 0.00 0.14 0.00 -0.90 0.00 0.00 32.23 32.96 1dk2 h LYS 61 CO 0.16 0.00 0.62 -0.51 -2.00 0.00 0.00 179.45 177.72 1dk2 s LEU 62 N -8.11 3.87 -0.48 7.07 1.43 -1.17 -4.92 118.68 116.37 1dk2 s LEU 62 Ca -0.05 2.79 -0.29 0.00 -1.03 0.00 0.00 54.13 55.55 1dk2 s LEU 62 Cb 0.16 -4.25 0.03 0.00 0.03 0.00 0.00 46.19 42.16 1dk2 s LEU 62 CO 0.59 -1.56 1.17 -2.16 0.23 0.00 0.00 176.35 174.62 1dk2 s PRO 63 N -2.88 3.69 0.00 1.29 0.04 -1.26 -3.25 135.00 132.63 1dk2 s PRO 63 Ca 0.71 0.58 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1dk2 s PRO 63 Cb -0.41 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.20 1dk2 s PRO 63 CO 0.49 -1.42 0.00 0.41 0.04 0.00 0.00 177.00 176.51 1dk2 n GLY 64 N 4.89 0.90 3.80 0.56 0.00 -1.26 -4.93 105.19 109.15 1dk2 n GLY 64 Ca 0.12 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 -0.82 4.84 0.00 1.61 1.01 -1.20 -4.52 120.40 121.31 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 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1dk2 n GLY 66 N 1.98 3.10 0.09 4.51 0.00 -1.26 -4.81 105.19 108.80 1dk2 n GLY 66 Ca -0.10 -1.72 -0.10 0.00 0.00 0.00 0.00 46.02 44.10 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 1.49 0.30 2.61 -2.24 -1.26 -3.36 114.28 111.82 1dk2 n THR 67 Ca 0.00 -0.82 -0.12 0.00 -2.27 0.00 0.00 64.05 60.84 1dk2 n THR 67 Cb 0.00 -0.74 -0.06 0.00 -2.10 0.00 0.00 70.33 67.43 1dk2 n THR 67 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1dk2 h LYS 68 N 0.00 -0.76 -0.46 -0.78 1.63 -1.99 -0.24 116.57 113.97 1dk2 h LYS 68 Ca -0.45 0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.39 1dk2 h LYS 68 Cb 2.14 0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 33.93 1dk2 h LYS 68 CO 0.05 -0.51 0.25 0.82 -3.45 0.00 0.00 179.45 176.61 1dk2 h ILE 69 N -1.00 1.16 -0.60 2.00 1.08 -1.91 -2.18 117.51 116.07 1dk2 h ILE 69 Ca -0.08 -0.42 0.07 0.00 -0.39 0.00 0.00 64.86 64.03 1dk2 h ILE 69 Cb 0.60 0.61 -0.04 0.00 -3.07 0.00 0.00 36.82 34.93 1dk2 h ILE 69 CO 0.13 0.17 0.40 0.00 -0.69 0.00 0.00 178.15 178.16 1dk2 h ALA 70 N 1.10 1.86 -0.80 1.87 0.00 -1.60 -0.96 119.26 120.73 1dk2 h ALA 70 Ca 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1dk2 h ALA 70 Cb 0.06 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1dk2 h ALA 70 CO -0.03 0.04 0.42 0.93 0.00 0.00 0.00 179.25 180.61 1dk2 h GLU 71 N 0.54 1.13 -0.08 0.00 4.39 -0.37 -1.72 114.58 118.47 1dk2 h GLU 71 Ca 0.26 -0.15 -0.06 0.00 0.34 0.00 0.00 59.36 59.76 1dk2 h GLU 71 Cb 0.33 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1dk2 h GLU 71 CO -0.08 0.85 -0.23 0.87 -1.16 0.00 0.00 179.01 179.26 1dk2 h LYS 72 N 1.12 0.14 -0.43 2.33 1.79 -1.03 -2.63 116.57 117.86 1dk2 h LYS 72 Ca 0.28 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.68 1dk2 h LYS 72 Cb 0.07 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 1dk2 h LYS 72 CO -0.04 0.37 0.16 0.82 -1.08 0.00 0.00 179.45 179.68 1dk2 h ILE 73 N 0.13 1.21 -0.98 1.86 1.08 -0.91 -2.51 117.51 117.39 1dk2 h ILE 73 Ca 0.02 -0.65 0.08 0.00 -0.39 0.00 0.00 64.86 63.92 1dk2 h ILE 73 Cb 0.49 0.83 -0.07 0.00 -3.07 0.00 0.00 36.82 34.99 1dk2 h ILE 73 CO 0.03 0.24 0.62 -0.78 -0.69 0.00 0.00 178.15 177.58 1dk2 h ASP 74 N 0.56 0.98 0.20 1.72 3.58 -1.12 0.18 116.42 122.51 1dk2 h ASP 74 Ca 0.14 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.59 1dk2 h ASP 74 Cb 0.21 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 1dk2 h ASP 74 CO -0.01 0.60 -0.11 -0.33 -2.88 0.00 0.00 179.24 176.51 1dk2 h GLU 75 N 1.10 0.00 0.05 0.28 4.39 -1.33 0.46 114.58 119.53 1dk2 h GLU 75 Ca 0.44 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.14 1dk2 h GLU 75 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1dk2 h GLU 75 CO -0.20 0.11 -0.02 0.74 -1.16 0.00 0.00 179.01 178.48 1dk2 h PHE 76 N 0.00 -0.06 0.00 4.33 -1.00 -0.35 -2.66 116.94 117.20 1dk2 h PHE 76 Ca -0.00 -0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.65 1dk2 h PHE 76 Cb 0.24 0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.80 1dk2 h PHE 76 CO 0.00 0.53 -0.61 -0.07 -1.61 0.00 0.00 178.31 176.55 1dk2 h LEU 77 N -0.72 0.00 0.00 1.54 -0.00 -1.09 -3.37 115.31 111.67 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 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.28 1dk2 h LEU 77 CO 0.01 0.61 0.00 0.00 -0.00 0.00 0.00 178.44 179.06 1dk2 n ALA 78 N -2.39 0.00 0.01 1.53 0.00 0.16 -4.91 120.51 114.91 1dk2 n ALA 78 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1dk2 n ALA 78 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1dk2 n ALA 78 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1dk2 n THR 79 N -0.50 0.13 0.00 0.00 -2.24 -1.17 -5.08 114.28 105.42 1dk2 n THR 79 Ca 0.00 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1dk2 n THR 79 Cb 0.00 -0.92 0.00 0.00 -2.10 0.00 0.00 70.33 67.31 1dk2 n THR 79 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dk2 n GLY 80 N 3.18 3.57 3.40 3.38 0.00 -1.01 -4.93 105.19 112.78 1dk2 n GLY 80 Ca 0.00 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.34 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 1.02 -0.14 1.61 2.20 -1.26 -4.88 119.74 118.29 1dk2 s LYS 81 Ca 0.00 -0.17 -0.29 0.00 -0.36 0.00 0.00 55.97 55.16 1dk2 s LYS 81 Cb 0.00 0.47 0.07 0.00 -1.51 0.00 0.00 37.83 36.86 1dk2 s LYS 81 CO 0.00 -0.36 0.71 -0.48 -0.36 0.00 0.00 175.35 174.86 1dk2 s LEU 82 N -1.83 -0.68 -0.23 5.43 2.34 -1.26 -5.08 118.68 117.36 1dk2 s LEU 82 Ca -0.07 0.99 -0.16 0.00 0.06 0.00 0.00 54.13 54.95 1dk2 s LEU 82 Cb -0.01 2.49 -0.09 0.00 -0.56 0.00 0.00 46.19 48.02 1dk2 s LEU 82 CO 0.00 -0.46 -0.35 -1.14 -1.06 0.00 0.00 176.35 173.34 1dk2 n ARG 83 N 1.59 0.56 -4.27 1.48 0.00 -1.26 -5.04 116.66 109.73 1dk2 n ARG 83 Ca -0.17 0.24 -0.28 0.00 -0.00 0.00 0.00 57.85 57.64 1dk2 n ARG 83 Cb 0.56 -1.46 -0.06 0.00 0.00 0.00 0.00 32.46 31.51 1dk2 n ARG 83 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1dk2 s LYS 84 N -2.70 2.21 0.48 -0.14 3.01 -1.26 -5.15 119.74 116.19 1dk2 s LYS 84 Ca -0.34 -2.06 0.07 0.00 -1.01 0.00 0.00 55.97 52.63 1dk2 s LYS 84 Cb 0.10 -1.87 0.03 0.00 -1.01 0.00 0.00 37.83 35.08 1dk2 s LYS 84 CO 0.46 -0.31 0.66 -0.51 0.51 0.00 0.00 175.35 176.16 1dk2 s LEU 85 N -3.98 3.47 0.30 3.17 1.43 -1.26 -5.13 118.68 116.69 1dk2 s LEU 85 Ca 0.29 -0.44 0.10 0.00 -1.03 0.00 0.00 54.13 53.05 1dk2 s LEU 85 Cb 0.02 -2.47 -0.06 0.00 0.03 0.00 0.00 46.19 43.71 1dk2 s LEU 85 CO 0.17 -0.97 -0.13 -1.61 0.23 0.00 0.00 176.35 174.04 1dk2 s GLU 86 N -4.50 1.70 0.00 1.70 2.02 -1.26 -5.27 118.70 113.09 1dk2 s GLU 86 Ca 0.57 -1.84 0.00 0.00 0.02 0.00 0.00 54.97 53.72 1dk2 s GLU 86 Cb -0.09 -1.62 0.00 0.00 0.10 0.00 0.00 34.13 32.52 1dk2 s GLU 86 CO 0.35 0.20 0.00 1.63 0.02 0.00 0.00 175.26 177.46