#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 0.00 -2.72 4.33 4.81 -1.26 -4.77 118.16 118.55 1dk2 n LYS 3 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 1dk2 n LYS 3 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 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 0.00 -3.59 -0.08 1.64 1.74 -1.26 -4.98 116.66 110.14 1dk2 n ARG 4 Ca 0.00 2.84 -0.21 0.00 -0.77 0.00 0.00 57.85 59.72 1dk2 n ARG 4 Cb 0.00 -5.19 -0.12 0.00 -1.02 0.00 0.00 32.46 26.13 1dk2 n ARG 4 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1dk2 h LYS 5 N 3.26 0.04 -7.45 5.56 1.57 -2.06 -3.47 116.57 114.02 1dk2 h LYS 5 Ca -0.09 -0.07 -0.46 0.00 -1.87 0.00 0.00 60.65 58.16 1dk2 h LYS 5 Cb 0.24 0.02 0.13 0.00 0.08 0.00 0.00 32.23 32.70 1dk2 h LYS 5 CO 0.08 1.03 0.28 0.00 -0.57 0.00 0.00 179.45 180.28 1dk2 s ALA 6 N -2.37 1.66 0.47 3.86 0.00 -1.26 -5.05 121.76 119.07 1dk2 s ALA 6 Ca -0.27 -0.44 -0.07 0.00 0.00 0.00 0.00 51.96 51.18 1dk2 s ALA 6 Cb 0.05 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 1dk2 s ALA 6 CO 0.63 -2.33 0.80 -1.25 0.00 0.00 0.00 175.76 173.60 1dk2 s PRO 7 N -5.19 3.61 0.43 0.00 0.04 -1.26 -5.05 135.00 127.58 1dk2 s PRO 7 Ca 0.64 0.31 -0.25 0.00 0.04 0.00 0.00 61.00 61.74 1dk2 s PRO 7 Cb -0.16 -2.36 -0.08 0.00 0.04 0.00 0.00 34.50 31.95 1dk2 s PRO 7 CO 0.54 -0.19 1.24 -1.14 0.04 0.00 0.00 177.00 177.50 1dk2 s GLN 8 N -4.54 3.84 0.27 4.56 0.74 -1.26 -5.02 119.66 118.25 1dk2 s GLN 8 Ca 0.49 1.99 -0.15 0.00 0.05 0.00 0.00 55.36 57.74 1dk2 s GLN 8 Cb -0.10 -2.60 0.01 0.00 1.10 0.00 0.00 33.01 31.42 1dk2 s GLN 8 CO 0.42 -0.55 0.58 -1.21 -0.55 0.00 0.00 175.29 173.98 1dk2 s GLU 9 N -2.44 1.69 -0.88 1.67 2.02 -1.26 -5.10 118.70 114.40 1dk2 s GLU 9 Ca 0.60 -1.20 -0.03 0.00 0.02 0.00 0.00 54.97 54.36 1dk2 s GLU 9 Cb -0.34 0.53 0.22 0.00 0.10 0.00 0.00 34.13 34.63 1dk2 s GLU 9 CO 0.43 -0.73 0.77 -0.08 0.02 0.00 0.00 175.26 175.67 1dk2 s THR 10 N -3.84 4.50 0.00 3.63 -1.32 -1.26 -4.87 115.64 112.48 1dk2 s THR 10 Ca 0.19 -3.66 0.00 0.00 -1.21 0.00 0.00 61.69 57.01 1dk2 s THR 10 Cb -0.03 -3.79 0.00 0.00 -1.51 0.00 0.00 72.50 67.17 1dk2 s THR 10 CO 0.09 -1.07 0.00 0.18 -2.21 0.00 0.00 174.62 171.61 1dk2 n LEU 11 N 2.57 0.00 -2.48 9.08 4.77 -1.26 -4.63 117.00 125.05 1dk2 n LEU 11 Ca 0.20 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.88 1dk2 n LEU 11 Cb 0.38 -0.50 0.01 0.00 -2.33 0.00 0.00 43.42 40.97 1dk2 n LEU 11 CO 0.37 -0.50 1.49 0.59 -1.33 0.00 0.00 177.39 178.01 1dk2 n ASN 12 N -2.50 6.95 -0.29 -1.43 4.13 -1.26 -4.46 115.26 116.40 1dk2 n ASN 12 Ca 0.00 -3.45 0.13 0.00 1.68 0.00 0.00 54.58 52.95 1dk2 n ASN 12 Cb 0.00 -1.12 0.42 0.00 -1.54 0.00 0.00 39.78 37.54 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 0.12 -0.48 0.13 7.41 0.00 -1.26 -3.21 105.19 107.90 1dk2 n GLY 13 Ca 0.49 -0.41 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 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 1.30 -0.62 0.07 -0.02 0.00 -1.26 -3.54 105.19 101.13 1dk2 n GLY 14 Ca 0.14 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 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 1.73 -0.50 -0.61 5.03 -1.92 -3.16 117.51 118.12 1dk2 h ILE 15 Ca -0.43 -2.24 0.05 0.00 -0.12 0.00 0.00 64.86 62.12 1dk2 h ILE 15 Cb 2.02 3.24 -0.03 0.00 -3.03 0.00 0.00 36.82 39.03 1dk2 h ILE 15 CO 0.06 0.59 0.33 0.00 -0.68 0.00 0.00 178.15 178.45 1dk2 h THR 16 N -0.87 1.00 -0.71 -0.27 1.03 -1.76 0.21 112.91 111.53 1dk2 h THR 16 Ca -0.01 -0.16 -0.06 0.00 -0.01 0.00 0.00 66.41 66.16 1dk2 h THR 16 Cb 1.01 0.48 -0.03 0.00 -1.07 0.00 0.00 68.15 68.54 1dk2 h THR 16 CO 0.02 0.09 0.20 -0.78 -0.01 0.00 0.00 175.52 175.03 1dk2 h ASP 17 N 0.47 1.05 1.28 0.00 1.82 -1.63 0.12 116.42 119.54 1dk2 h ASP 17 Ca 0.21 -0.21 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1dk2 h ASP 17 Cb 0.24 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 39.98 1dk2 h ASP 17 CO -0.06 0.99 -0.34 0.24 -1.61 0.00 0.00 179.24 178.47 1dk2 h MET 18 N 1.07 0.00 0.21 0.28 2.86 -1.16 -2.84 114.93 115.35 1dk2 h MET 18 Ca 0.23 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.54 1dk2 h MET 18 Cb 0.34 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.02 1dk2 h MET 18 CO -0.00 0.00 -1.48 -0.07 1.06 0.00 0.00 176.91 176.41 1dk2 h LEU 19 N 0.00 0.71 -0.85 1.22 3.38 -0.07 -3.13 115.31 116.57 1dk2 h LEU 19 Ca 0.00 -0.80 -0.11 0.00 0.09 0.00 0.00 57.88 57.06 1dk2 h LEU 19 Cb 0.81 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1dk2 h LEU 19 CO 0.00 1.64 -0.53 0.58 0.09 0.00 0.00 178.44 180.21 1dk2 h VAL 20 N 0.12 1.28 0.27 1.22 2.07 -1.05 -1.26 116.25 118.90 1dk2 h VAL 20 Ca -0.25 -1.90 -0.01 0.00 0.82 0.00 0.00 66.70 65.36 1dk2 h VAL 20 Cb 2.12 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 33.94 1dk2 h VAL 20 CO 0.24 0.52 -0.13 -0.33 0.02 0.00 0.00 177.57 177.90 1dk2 h GLU 21 N 0.00 -0.35 -0.30 1.57 5.08 -1.52 -2.63 114.58 116.44 1dk2 h GLU 21 Ca -0.01 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 1dk2 h GLU 21 Cb 1.01 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1dk2 h GLU 21 CO 0.07 -0.23 -0.01 1.37 -1.00 0.00 0.00 179.01 179.20 1dk2 h LEU 22 N -0.44 0.42 -0.91 1.33 -0.00 -1.64 -2.50 115.31 111.58 1dk2 h LEU 22 Ca -0.04 -0.08 0.17 0.00 -0.00 0.00 0.00 57.88 57.94 1dk2 h LEU 22 Cb 0.28 -0.11 -0.10 0.00 -0.00 0.00 0.00 40.66 40.72 1dk2 h LEU 22 CO 0.06 0.50 0.50 0.00 -0.00 0.00 0.00 178.44 179.50 1dk2 h ALA 23 N 1.55 1.44 -0.47 0.17 0.00 -1.24 0.39 119.26 121.11 1dk2 h ALA 23 Ca 0.10 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1dk2 h ALA 23 Cb 0.31 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1dk2 h ALA 23 CO 0.01 -0.10 -0.14 -0.91 0.00 0.00 0.00 179.25 178.11 1dk2 h ASN 24 N 0.65 0.88 0.26 0.00 2.35 -1.06 -2.06 115.58 116.61 1dk2 h ASN 24 Ca 0.52 -0.29 -0.02 0.00 -0.55 0.00 0.00 56.30 55.95 1dk2 h ASN 24 Cb 0.79 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.92 1dk2 h ASN 24 CO -0.39 1.02 -0.11 0.15 -1.65 0.00 0.00 177.43 176.45 1dk2 h PHE 25 N 0.78 0.00 0.16 1.19 3.57 -0.24 0.41 116.94 122.81 1dk2 h PHE 25 Ca 0.12 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1dk2 h PHE 25 Cb 0.67 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.41 1dk2 h PHE 25 CO 0.04 0.11 -0.08 0.93 -2.23 0.00 0.00 178.31 177.09 1dk2 h GLU 26 N 0.00 -0.21 -0.50 1.11 3.07 -0.28 -2.90 114.58 114.87 1dk2 h GLU 26 Ca -0.00 0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.80 1dk2 h GLU 26 Cb 0.27 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.21 1dk2 h GLU 26 CO 0.01 0.03 0.03 -0.22 -1.40 0.00 0.00 179.01 177.47 1dk2 h LYS 27 N -1.01 0.86 -0.12 2.33 3.64 -1.37 -2.25 116.57 118.64 1dk2 h LYS 27 Ca -0.02 -0.26 0.03 0.00 -1.27 0.00 0.00 60.65 59.14 1dk2 h LYS 27 Cb 0.34 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1dk2 h LYS 27 CO 0.04 0.88 0.15 -0.91 -2.27 0.00 0.00 179.45 177.34 1dk2 h ASN 28 N 0.72 0.00 -3.22 4.20 2.35 -0.30 -3.41 115.58 115.92 1dk2 h ASN 28 Ca 0.15 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.43 1dk2 h ASN 28 Cb 0.47 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.88 1dk2 h ASN 28 CO 0.02 0.00 0.05 -0.69 -1.65 0.00 0.00 177.43 175.16 1dk2 s VAL 29 N -4.55 3.77 0.00 2.81 1.01 -0.84 -5.05 120.40 117.54 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 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1dk2 s VAL 29 CO 0.52 -0.39 0.13 -0.24 0.00 0.00 0.00 175.10 175.11 1dk2 n SER 30 N -2.36 0.00 -3.50 3.32 2.88 -1.26 -4.28 113.62 108.42 1dk2 n SER 30 Ca 0.03 0.55 -0.40 0.00 -1.33 0.00 0.00 58.87 57.72 1dk2 n SER 30 Cb 0.58 -0.48 -0.01 0.00 -0.75 0.00 0.00 64.21 63.54 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 3.74 -2.52 -1.46 1.13 -1.26 -4.25 117.38 110.82 1dk2 n GLN 31 Ca 0.00 -2.73 -0.01 0.00 -1.94 0.00 0.00 57.00 52.32 1dk2 n GLN 31 Cb 0.00 -2.87 0.08 0.00 0.11 0.00 0.00 30.24 27.56 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 3.66 2.81 0.08 -1.58 0.00 -1.26 -4.90 120.51 119.33 1dk2 n ALA 32 Ca 0.65 -1.75 0.06 0.00 0.00 0.00 0.00 53.44 52.40 1dk2 n ALA 32 Cb 0.28 -0.80 -0.02 0.00 0.00 0.00 0.00 19.45 18.91 1dk2 n ALA 32 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1dk2 h ILE 33 N 4.91 0.30 0.06 0.00 6.09 -1.76 -2.92 117.51 124.18 1dk2 h ILE 33 Ca -0.32 -1.55 -0.00 0.00 -1.37 0.00 0.00 64.86 61.61 1dk2 h ILE 33 Cb 1.34 1.85 0.00 0.00 0.47 0.00 0.00 36.82 40.48 1dk2 h ILE 33 CO -0.03 0.17 -0.03 1.12 -3.07 0.00 0.00 178.15 176.31 1dk2 h HIS 34 N 0.00 -0.07 0.00 2.19 2.07 -1.95 -3.11 115.15 114.28 1dk2 h HIS 34 Ca -0.07 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.45 1dk2 h HIS 34 Cb 1.29 0.02 0.00 0.00 2.57 0.00 0.00 27.41 31.30 1dk2 h HIS 34 CO 0.00 0.52 0.00 1.57 -3.07 0.00 0.00 177.93 176.95 1dk2 h LYS 35 N -0.77 0.00 0.57 5.12 -0.00 -1.95 -3.10 116.57 116.45 1dk2 h LYS 35 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 60.62 1dk2 h LYS 35 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.86 1dk2 h LYS 35 CO 0.01 0.00 -0.31 -0.92 -0.00 0.00 0.00 179.45 178.24 1dk2 h TYR 36 N 0.00 -0.80 -0.07 0.07 3.20 -1.45 -1.62 116.97 116.30 1dk2 h TYR 36 Ca 0.00 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.88 1dk2 h TYR 36 Cb 0.47 0.27 -0.00 0.00 1.54 0.00 0.00 36.73 39.01 1dk2 h TYR 36 CO 0.00 -0.48 0.07 -0.91 -1.64 0.00 0.00 178.16 175.19 1dk2 h ASN 37 N -0.81 0.00 0.21 -2.11 2.35 -1.50 0.36 115.58 114.07 1dk2 h ASN 37 Ca -0.07 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 1dk2 h ASN 37 Cb 0.64 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.01 1dk2 h ASN 37 CO 0.11 0.00 -0.13 0.00 -1.65 0.00 0.00 177.43 175.75 1dk2 h ALA 38 N 1.93 -0.99 0.00 -0.83 0.00 -1.28 0.13 119.26 118.22 1dk2 h ALA 38 Ca 0.03 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1dk2 h ALA 38 Cb 0.17 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1dk2 h ALA 38 CO -0.00 -0.98 -0.67 1.88 0.00 0.00 0.00 179.25 179.49 1dk2 h TYR 39 N -0.32 0.00 0.22 0.00 0.05 -1.35 -2.73 116.97 112.85 1dk2 h TYR 39 Ca -0.03 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 1dk2 h TYR 39 Cb 0.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.00 1dk2 h TYR 39 CO 0.04 0.67 -0.11 -0.09 -1.05 0.00 0.00 178.16 177.62 1dk2 h ARG 40 N 0.00 -0.29 -0.82 4.88 9.65 -0.26 0.23 114.38 127.77 1dk2 h ARG 40 Ca -0.01 0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.86 1dk2 h ARG 40 Cb 1.28 0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 29.89 1dk2 h ARG 40 CO 0.09 -0.06 0.40 0.87 2.80 0.00 0.00 179.97 184.06 1dk2 h LYS 41 N -0.47 1.18 -0.66 0.20 1.57 -0.79 -2.24 116.57 115.36 1dk2 h LYS 41 Ca -0.03 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.50 1dk2 h LYS 41 Cb 0.36 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1dk2 h LYS 41 CO 0.05 0.90 0.11 0.00 -0.57 0.00 0.00 179.45 179.94 1dk2 h ALA 42 N 1.26 0.95 -0.00 3.86 0.00 -1.29 -1.78 119.26 122.27 1dk2 h ALA 42 Ca 0.28 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1dk2 h ALA 42 Cb 0.11 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1dk2 h ALA 42 CO -0.04 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.87 1dk2 h ALA 43 N 1.10 1.62 0.00 0.00 0.00 0.06 0.28 119.26 122.32 1dk2 h ALA 43 Ca 0.20 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1dk2 h ALA 43 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1dk2 h ALA 43 CO 0.01 -0.00 -0.30 0.77 0.00 0.00 0.00 179.25 179.73 1dk2 h SER 44 N 0.00 0.00 -0.58 0.00 0.02 -1.06 -2.38 113.55 109.55 1dk2 h SER 44 Ca 0.00 -0.56 -0.04 0.00 -0.84 0.00 0.00 61.79 60.35 1dk2 h SER 44 Cb 0.01 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 1dk2 h SER 44 CO -0.00 0.95 0.21 1.62 -1.14 0.00 0.00 176.83 178.47 1dk2 h VAL 45 N -1.00 1.23 -0.30 2.27 3.04 -1.16 0.89 116.25 121.22 1dk2 h VAL 45 Ca -0.07 -0.76 -0.13 0.00 -1.01 0.00 0.00 66.70 64.73 1dk2 h VAL 45 Cb 0.77 0.63 -0.01 0.00 -2.01 0.00 0.00 31.29 30.67 1dk2 h VAL 45 CO -0.04 0.29 -0.34 0.40 -1.01 0.00 0.00 177.57 176.87 1dk2 h ILE 46 N 0.82 1.29 0.00 3.17 1.08 -0.60 -2.47 117.51 120.79 1dk2 h ILE 46 Ca 0.19 -1.48 0.00 0.00 -0.39 0.00 0.00 64.86 63.18 1dk2 h ILE 46 Cb 0.24 1.42 0.00 0.00 -3.07 0.00 0.00 36.82 35.41 1dk2 h ILE 46 CO -0.01 0.48 -0.36 0.00 -0.69 0.00 0.00 178.15 177.57 1dk2 h ALA 47 N 1.06 0.81 -0.62 1.87 0.00 -1.11 -3.27 119.26 118.00 1dk2 h ALA 47 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1dk2 h ALA 47 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1dk2 h ALA 47 CO 0.07 0.00 0.00 1.17 0.00 0.00 0.00 179.25 180.49 1dk2 n LYS 48 N -2.74 3.92 -3.61 0.00 4.81 0.31 -4.93 118.16 115.90 1dk2 n LYS 48 Ca 0.03 -2.93 -0.37 0.00 -0.87 0.00 0.00 58.31 54.17 1dk2 n LYS 48 Cb 0.51 -1.95 -0.07 0.00 0.02 0.00 0.00 35.03 33.54 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 -2.04 3.53 -1.38 5.64 5.04 -0.95 -4.97 117.35 122.22 1dk2 s TYR 49 Ca 0.51 0.62 0.06 0.00 -2.44 0.00 0.00 57.07 55.83 1dk2 s TYR 49 Cb 0.34 -2.24 0.24 0.00 0.35 0.00 0.00 41.96 40.66 1dk2 s TYR 49 CO 0.22 0.41 1.05 -0.35 -1.34 0.00 0.00 175.55 175.54 1dk2 n PRO 50 N 2.97 1.93 -4.08 4.97 -0.04 -1.26 -4.80 135.00 134.70 1dk2 n PRO 50 Ca -0.14 -0.96 -0.13 0.00 -0.04 0.00 0.00 63.50 62.23 1dk2 n PRO 50 Cb 0.53 -1.47 -0.05 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.63 0.88 0.34 0.54 3.76 -1.26 -5.05 115.29 112.87 1dk2 s HIS 51 Ca 0.17 -1.14 0.01 0.00 -0.15 0.00 0.00 55.06 53.95 1dk2 s HIS 51 Cb 0.11 -0.07 -0.03 0.00 1.11 0.00 0.00 32.58 33.70 1dk2 s HIS 51 CO 0.08 -1.04 0.53 0.21 -0.85 0.00 0.00 174.74 173.68 1dk2 s LYS 52 N -3.46 3.48 -0.11 1.40 2.36 -1.26 -4.45 119.74 117.70 1dk2 s LYS 52 Ca 0.29 -0.36 -0.10 0.00 -2.55 0.00 0.00 55.97 53.25 1dk2 s LYS 52 Cb 0.00 -2.68 -0.05 0.00 -1.05 0.00 0.00 37.83 34.06 1dk2 s LYS 52 CO 0.16 0.17 0.21 0.42 1.55 0.00 0.00 175.35 177.87 1dk2 s ILE 53 N -2.28 5.37 -0.16 5.43 1.01 -1.26 -5.01 121.20 124.31 1dk2 s ILE 53 Ca 0.40 0.38 -0.22 0.00 0.00 0.00 0.00 60.65 61.21 1dk2 s ILE 53 Cb -0.10 -3.50 -0.24 0.00 0.01 0.00 0.00 42.46 38.63 1dk2 s ILE 53 CO 0.35 0.55 0.47 0.11 0.00 0.00 0.00 174.94 176.43 1dk2 h LYS 54 N 5.40 0.08 -4.95 2.79 1.57 -1.98 -3.49 116.57 115.98 1dk2 h LYS 54 Ca -0.50 -0.14 -0.52 0.00 -1.87 0.00 0.00 60.65 57.62 1dk2 h LYS 54 Cb 1.21 0.05 -0.13 0.00 0.08 0.00 0.00 32.23 33.44 1dk2 h LYS 54 CO 0.64 1.07 -0.49 -1.54 -0.57 0.00 0.00 179.45 178.55 1dk2 s SER 55 N -6.75 2.15 0.37 0.86 1.04 -1.26 -4.99 113.70 105.13 1dk2 s SER 55 Ca -0.23 -1.76 0.11 0.00 0.48 0.00 0.00 55.95 54.54 1dk2 s SER 55 Cb 0.03 0.58 0.73 0.00 0.10 0.00 0.00 66.02 67.46 1dk2 s SER 55 CO 0.68 -1.04 1.86 1.23 0.98 0.00 0.00 173.24 176.94 1dk2 h GLY 56 N 1.98 0.14 1.89 7.32 0.00 -1.85 -2.27 103.07 110.28 1dk2 h GLY 56 Ca -0.28 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1dk2 h GLY 56 CO 0.42 0.09 -0.04 0.00 0.00 0.00 0.00 176.54 177.01 1dk2 h ALA 57 N 1.61 1.75 0.00 3.60 0.00 -1.96 -0.65 119.26 123.62 1dk2 h ALA 57 Ca 0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1dk2 h ALA 57 Cb 0.54 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1dk2 h ALA 57 CO 0.04 0.19 -0.08 0.93 0.00 0.00 0.00 179.25 180.33 1dk2 h GLU 58 N 0.14 0.00 0.07 0.00 5.08 -1.81 -2.69 114.58 115.37 1dk2 h GLU 58 Ca 0.03 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.14 1dk2 h GLU 58 Cb 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1dk2 h GLU 58 CO 0.01 0.08 -1.18 0.00 -1.00 0.00 0.00 179.01 176.92 1dk2 h ALA 59 N 1.92 0.24 -0.08 3.43 0.00 -1.16 -3.29 119.26 120.31 1dk2 h ALA 59 Ca -0.00 -0.93 -0.23 0.00 0.00 0.00 0.00 54.91 53.74 1dk2 h ALA 59 Cb 0.57 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1dk2 h ALA 59 CO 0.01 1.13 -0.87 -0.22 0.00 0.00 0.00 179.25 179.30 1dk2 h LYS 60 N 0.04 0.68 -0.00 0.00 3.64 -1.33 -3.13 116.57 116.47 1dk2 h LYS 60 Ca -0.10 -0.62 0.00 0.00 -1.27 0.00 0.00 60.65 58.66 1dk2 h LYS 60 Cb 1.89 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 33.86 1dk2 h LYS 60 CO 0.16 1.23 0.00 1.57 -2.27 0.00 0.00 179.45 180.14 1dk2 h LYS 61 N 0.43 0.00 -7.04 1.90 2.10 -1.58 -3.43 116.57 108.95 1dk2 h LYS 61 Ca -0.08 0.00 -0.50 0.00 -2.00 0.00 0.00 60.65 58.08 1dk2 h LYS 61 Cb 1.50 0.00 0.05 0.00 -0.90 0.00 0.00 32.23 32.88 1dk2 h LYS 61 CO 0.17 0.00 0.44 -0.51 -2.00 0.00 0.00 179.45 177.55 1dk2 s LEU 62 N -8.10 3.89 -0.56 7.07 1.43 -1.18 -4.95 118.68 116.28 1dk2 s LEU 62 Ca -0.05 2.16 -0.28 0.00 -1.03 0.00 0.00 54.13 54.92 1dk2 s LEU 62 Cb 0.16 -4.43 0.02 0.00 0.03 0.00 0.00 46.19 41.97 1dk2 s LEU 62 CO 0.58 -0.96 1.29 -2.16 0.23 0.00 0.00 176.35 175.33 1dk2 s PRO 63 N -3.01 3.45 0.00 1.29 0.04 -1.26 -3.34 135.00 132.18 1dk2 s PRO 63 Ca 0.67 0.39 0.00 0.00 0.04 0.00 0.00 61.00 62.10 1dk2 s PRO 63 Cb -0.24 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.25 1dk2 s PRO 63 CO 0.28 -1.75 0.00 0.41 0.04 0.00 0.00 177.00 175.98 1dk2 n GLY 64 N 5.13 1.35 3.81 0.56 0.00 -1.26 -4.64 105.19 110.13 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 -0.02 4.78 0.00 1.61 1.01 -1.21 -3.82 120.40 122.75 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 1.78 1.63 0.10 4.51 0.00 -1.26 -4.85 105.19 107.10 1dk2 n GLY 66 Ca -0.11 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.07 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 1.38 0.08 2.61 -2.24 -1.26 -3.51 114.28 111.35 1dk2 n THR 67 Ca 0.00 -0.84 -0.23 0.00 -2.27 0.00 0.00 64.05 60.72 1dk2 n THR 67 Cb 0.00 -0.52 -0.15 0.00 -2.10 0.00 0.00 70.33 67.56 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 0.40 -0.23 -0.78 1.63 -2.00 -3.16 116.57 112.43 1dk2 h LYS 68 Ca -0.55 -0.68 -0.20 0.00 -0.85 0.00 0.00 60.65 58.37 1dk2 h LYS 68 Cb 2.22 0.25 0.00 0.00 -0.60 0.00 0.00 32.23 34.11 1dk2 h LYS 68 CO 0.02 1.33 -0.65 0.82 -3.45 0.00 0.00 179.45 177.52 1dk2 h ILE 69 N -0.06 1.27 0.09 2.00 1.08 -1.90 -2.85 117.51 117.14 1dk2 h ILE 69 Ca -0.26 -1.83 0.01 0.00 -0.39 0.00 0.00 64.86 62.38 1dk2 h ILE 69 Cb 1.96 1.77 -0.01 0.00 -3.07 0.00 0.00 36.82 37.47 1dk2 h ILE 69 CO 0.18 0.59 -0.11 0.00 -0.69 0.00 0.00 178.15 178.12 1dk2 h ALA 70 N 0.64 -0.20 -0.34 1.87 0.00 -1.69 -1.44 119.26 118.09 1dk2 h ALA 70 Ca -0.01 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1dk2 h ALA 70 Cb 1.26 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1dk2 h ALA 70 CO 0.14 -0.63 0.23 1.05 0.00 0.00 0.00 179.25 180.04 1dk2 h GLU 71 N -0.24 0.26 -0.36 0.00 4.11 -1.59 0.29 114.58 117.05 1dk2 h GLU 71 Ca 0.01 -0.02 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 1dk2 h GLU 71 Cb 0.24 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1dk2 h GLU 71 CO -0.05 0.17 0.06 -0.22 0.07 0.00 0.00 179.01 179.05 1dk2 h LYS 72 N 0.27 0.54 -0.64 1.06 3.64 -1.03 -1.84 116.57 118.57 1dk2 h LYS 72 Ca 0.15 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 1dk2 h LYS 72 Cb 0.26 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 1dk2 h LYS 72 CO -0.03 0.52 0.15 0.82 -2.27 0.00 0.00 179.45 178.64 1dk2 h ILE 73 N 0.53 1.25 -0.99 2.00 1.08 -0.36 -2.35 117.51 118.66 1dk2 h ILE 73 Ca 0.12 -0.93 0.08 0.00 -0.39 0.00 0.00 64.86 63.75 1dk2 h ILE 73 Cb 0.25 0.60 -0.07 0.00 -3.07 0.00 0.00 36.82 34.52 1dk2 h ILE 73 CO 0.00 0.35 0.63 -0.78 -0.69 0.00 0.00 178.15 177.67 1dk2 h ASP 74 N 0.96 0.99 0.15 1.72 1.82 -1.19 0.20 116.42 121.08 1dk2 h ASP 74 Ca 0.20 0.02 -0.05 0.00 -0.39 0.00 0.00 57.03 56.82 1dk2 h ASP 74 Cb 0.35 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.17 1dk2 h ASP 74 CO 0.00 0.60 -0.19 -0.08 -1.61 0.00 0.00 179.24 177.96 1dk2 h GLU 75 N 1.10 0.07 0.15 0.28 4.57 -1.29 0.46 114.58 119.92 1dk2 h GLU 75 Ca 0.45 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.61 1dk2 h GLU 75 Cb 0.28 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1dk2 h GLU 75 CO -0.21 0.25 -0.07 0.74 -1.18 0.00 0.00 179.01 178.55 1dk2 h PHE 76 N 0.06 -0.19 0.00 0.92 -1.00 -0.42 -3.11 116.94 113.20 1dk2 h PHE 76 Ca 0.01 -0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.71 1dk2 h PHE 76 Cb 0.37 0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.98 1dk2 h PHE 76 CO 0.00 0.18 -0.34 -0.07 -1.61 0.00 0.00 178.31 176.47 1dk2 h LEU 77 N -0.60 0.00 0.00 1.54 -0.00 -1.07 -3.36 115.31 111.82 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 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.11 1dk2 h LEU 77 CO 0.03 0.34 0.00 0.00 -0.00 0.00 0.00 178.44 178.82 1dk2 n ALA 78 N -2.26 0.00 0.05 1.53 0.00 0.16 -4.88 120.51 115.11 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 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.50 0.88 0.00 0.00 -1.04 -1.18 -5.07 114.28 107.37 1dk2 n THR 79 Ca 0.00 0.29 0.00 0.00 -2.04 0.00 0.00 64.05 62.30 1dk2 n THR 79 Cb 0.00 -1.34 0.00 0.00 -1.82 0.00 0.00 70.33 67.17 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 3.24 2.17 3.87 3.41 0.00 -1.18 -5.00 105.19 111.70 1dk2 n GLY 80 Ca 0.00 -0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 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 2.57 -0.13 1.61 1.02 -1.26 -4.92 119.74 118.62 1dk2 s LYS 81 Ca 0.00 -1.49 -0.01 0.00 0.02 0.00 0.00 55.97 54.49 1dk2 s LYS 81 Cb 0.00 -2.39 -0.02 0.00 -0.52 0.00 0.00 37.83 34.90 1dk2 s LYS 81 CO 0.00 -0.14 -0.10 -0.51 -0.92 0.00 0.00 175.35 173.68 1dk2 s LEU 82 N -4.10 2.88 0.25 3.17 1.43 -1.26 -5.04 118.68 116.01 1dk2 s LEU 82 Ca 0.47 -0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 53.21 1dk2 s LEU 82 Cb -0.04 -1.66 -0.08 0.00 0.03 0.00 0.00 46.19 44.45 1dk2 s LEU 82 CO 0.28 0.19 0.60 -0.13 0.23 0.00 0.00 176.35 177.52 1dk2 s ARG 83 N 0.19 3.87 0.57 1.70 0.52 -1.26 -5.08 118.95 119.46 1dk2 s ARG 83 Ca -0.06 0.40 -0.05 0.00 -0.52 0.00 0.00 55.73 55.50 1dk2 s ARG 83 Cb -0.15 -2.60 0.01 0.00 0.52 0.00 0.00 34.95 32.72 1dk2 s ARG 83 CO 0.04 0.28 0.86 0.15 0.02 0.00 0.00 175.30 176.66 1dk2 s LYS 84 N -2.81 2.96 -0.23 3.54 1.02 -1.26 -5.03 119.74 117.94 1dk2 s LYS 84 Ca 0.49 -0.08 0.22 0.00 0.02 0.00 0.00 55.97 56.62 1dk2 s LYS 84 Cb -0.11 -2.32 0.48 0.00 -0.52 0.00 0.00 37.83 35.36 1dk2 s LYS 84 CO 0.20 -0.62 1.15 1.47 -0.92 0.00 0.00 175.35 176.63 1dk2 n LEU 85 N -2.49 1.23 -4.06 3.17 -0.00 -1.26 -5.10 117.00 108.48 1dk2 n LEU 85 Ca 0.04 -2.87 -0.07 0.00 -0.00 0.00 0.00 56.01 53.10 1dk2 n LEU 85 Cb 0.57 0.38 -0.10 0.00 -0.00 0.00 0.00 43.42 44.27 1dk2 n LEU 85 CO 0.52 1.01 -0.34 -1.83 -0.00 0.00 0.00 177.39 176.76 1dk2 s GLU 86 N -2.92 0.61 0.00 1.47 4.04 -1.26 -5.39 118.70 115.25 1dk2 s GLU 86 Ca 0.26 -1.15 0.17 0.00 0.04 0.00 0.00 54.97 54.29 1dk2 s GLU 86 Cb 0.34 0.21 0.99 0.00 0.02 0.00 0.00 34.13 35.69 1dk2 s GLU 86 CO -0.06 -0.12 1.40 1.17 -1.84 0.00 0.00 175.26 175.81